0 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,0,1,0,0,0|2,0,1]=4 3 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,0,1,0,0,0|2,0,1]=4 4 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,0,1,0,0,0|2,0,0]=3 5 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,0,1,0,0,0|2,0,0]=3 6 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,0,1,0,0,0|3,0,0]=4 7 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,0,1,0,0,0|3,0,0]=4 8 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,0,1,0,0,0|3,0,0]=4 9 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,0,1,0,0,0|3,0,0]=4 12 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,0,1,0,0,0|3,0,0]=4 13 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,0,1,0,0,0|3,0,0]=4 14 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,0,1,0,0,0|2,0,0]=3 19 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,0,1,0,0,0|2,0,0]=3 20 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,0,1,0,0,0|2,0,0]=3 21 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,0,1,0,0,0|2,0,0]=3 22 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,0,1,0,0,0|3,0,0]=4 24 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,0,1,0,0,0|2,0,1]=4 25 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,0,1,0,0,0|2,0,0]=3 26 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,0,1,0,0,0|3,0,0]=4 27 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,0,1,0,0,0|3,0,0]=4 30 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,0,1,0,0,0|3,0,0]=4 33 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,0,1,0,0,0|2,0,0]=3 34 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,0,1,0,0,0|2,0,0]=3 35 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,0,1,0,0,0|2,0,0]=3 36 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,0,1,0,0,0|1,0,2]=4 42 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,0,1,0,0,0|1,0,2]=4 43 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,0,1,0,0,0|3,0,0]=4 44 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,0,1,0,0,0|2,0,1]=4 46 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,0,1,0,0,0|2,0,1]=4 47 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,0,1,0,0,0|3,0,0]=4 49 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,0,1,0,0,0|3,0,0]=4 50 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,0,1,0,0,0|3,0,0]=4 51 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,0,1,0,0,0|3,0,0]=4 52 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,0,1,0,0,0|3,0,0]=4 53 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,0,1,0,0,0|3,0,0]=4 54 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,0,1,0,0,0|3,0,0]=4 55 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,0,1,0,0,0|3,0,0]=4 56 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,0,1,0,0,0|3,0,0]=4 57 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,0,1,0,0,0|2,0,1]=4 59 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,0,1,0,0,0|2,0,1]=4 60 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,0,1,0,0,0|2,0,1]=4 61 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,0,1,0,0,0|2,0,1]=4 63 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,0,1,0,0,0|2,0,1]=4 64 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,0,1,0,0,0|2,0,1]=4 65 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,0,1,0,0,0|2,0,1]=4 66 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,0,1,0,0,0|2,0,1]=4 67 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,0,1,0,0,0|2,0,1]=4 68 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,0,1,0,0,0|2,0,1]=4 69 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,0,1,0,0,0|3,0,0]=4 71 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,0,1,0,0,0|3,0,0]=4 78 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,1,0,0,0|2,0,0]=3 82 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,1,0,0,0|2,0,0]=3 86 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,1,0,0,0|2,0,0]=3 87 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,0,1,0,0,0|2,0,1]=4 88 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,0,1,0,0,0|3,0,0]=4 95 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,0,1,0,0,0|2,0,0]=3 96 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,0,1,0,0,0|2,0,1]=4 97 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,0,1,0,0,0|2,0,1]=4 98 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,0,1,0,0,0|2,0,0]=3 99 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,0,1,0,0,0|2,0,0]=3 100 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,1,0,0,0|2,0,0]=3 101 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,0,1,0,0,0|2,0,0]=3 102 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,0,1,0,0,0|2,0,0]=3 103 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,1,0,0,0|1,0,0]=2 105 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,1,0,0,0|2,0,0]=3 106 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,1,0,0,0|2,0,0]=3 107 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,1,0,0,0|2,0,0]=3 108 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,0,1,0,0,0|2,0,1]=4 109 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,0,1,0,0,0|2,0,1]=4 110 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,1,0,0,0|1,0,2]=4 111 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,0,1,0,0,0|3,0,0]=4 112 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,0,1,0,0,0|3,0,0]=4 113 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,0,1,0,0,0|3,0,0]=4 114 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,1,0,0,0|1,0,2]=4 115 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,0,1,0,0,0|3,0,0]=4 116 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,0,1,0,0,0|2,0,1]=4 118 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,0,1,0,0,0|2,0,1]=4 119 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,0,1,0,0,0|2,0,1]=4 120 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,0,1,0,0,0|2,0,1]=4 121 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,1,0,0,0|2,0,1]=4 122 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,1,0,0,0|2,0,1]=4 123 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,0,1,0,0,0|2,0,1]=4 126 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,0,1,0,0,0|2,0,1]=4 127 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,0,1,0,0,0|2,0,1]=4 128 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,1,0,0,0|2,0,0]=3 129 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,1,0,0,0|2,0,0]=3 130 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,0,1,0,0,0|3,0,0]=4 131 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,0,1,0,0,0|3,0,0]=4 132 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,0,1,0,0,0|3,0,0]=4 133 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,0,1,0,0,0|3,0,0]=4 134 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,0,1,0,0,0|3,0,0]=4 135 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,1,0,0,0|2,0,0]=3 136 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,0,1,0,0,0|3,0,0]=4 137 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,0,1,0,0,0|3,0,0]=4 138 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,1,0,0,0|2,0,0]=3 139 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,1,0,0,0|2,0,0]=3 140 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,1,0,0,0|2,0,0]=3 141 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,0,1,0,0,0|2,0,1]=4 142 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,0,1,0,0,0|2,0,0]=3 144 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,0,1,0,0,0|3,0,0]=4 145 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,0,1,0,0,0|3,0,0]=4 146 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,0,1,0,0,0|2,0,1]=4 147 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,0,1,0,0,0|2,0,1]=4 148 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,0,1,0,0,0|2,0,1]=4 149 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,0,1,0,0,0|3,0,0]=4 150 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,0,1,0,0,0|3,0,0]=4 151 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,0,1,0,0,0|2,0,1]=4 152 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,0,1,0,0,0|3,0,0]=4 153 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,0,1,0,0,0|3,0,0]=4 154 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,0,1,0,0,0|2,0,0]=3 155 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,0,1,0,0,0|3,0,0]=4 156 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,0,1,0,0,0|2,0,1]=4 157 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,0,1,0,0,0|2,0,1]=4 158 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,0,1,0,0,0|3,0,0]=4 159 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,0,1,0,0,0|3,0,0]=4 160 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,0,1,0,0,0|3,0,0]=4 161 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,0,1,0,0,0|3,0,0]=4 162 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,0,1,0,0,0|3,0,0]=4 163 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,0,1,0,0,0|2,0,1]=4 164 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,0,1,0,0,0|2,0,1]=4 165 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,0,1,0,0,0|2,0,1]=4 166 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,0,1,0,0,0|2,0,1]=4 168 B8R0.7 C=C(Br)CCOCC=O 34a_100009813270_200009817547 [0,0,1,0,0,0|3,0,0]=4 169 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,0,1,0,0,0|3,0,0]=4 170 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,0,1,0,0,0|3,0,0]=4 171 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,0,1,0,0,0|3,0,0]=4 172 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,1,0,0,0|2,0,0]=3 173 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,1,0,0,0|2,0,0]=3 174 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,1,0,0,0|2,0,0]=3 175 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,0,1,0,0,0|3,0,0]=4 176 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,0,1,0,0,0|3,0,0]=4 177 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,0,1,0,0,0|3,0,0]=4 178 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,0,1,0,0,0|3,0,0]=4 179 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,0,1,0,0,0|3,0,0]=4 180 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,0,1,0,0,0|3,0,0]=4 181 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,0,1,0,0,0|2,0,0]=3 182 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,0,1,0,0,0|3,0,0]=4 183 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,0,1,0,0,0|3,0,0]=4 184 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,0,1,0,0,0|2,0,1]=4 185 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,0,1,0,0,0|3,0,0]=4 186 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,0,1,0,0,0|3,0,0]=4 187 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,0,1,0,0,0|2,0,1]=4 188 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,0,1,0,0,0|2,0,1]=4 189 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,0,1,0,0,0|3,0,0]=4 190 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,0,1,0,0,0|3,0,0]=4 191 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,0,1,0,0,0|3,0,0]=4 192 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,0,1,0,0,0|3,0,0]=4 193 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,0,1,0,0,0|3,0,0]=4 194 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,0,1,0,0,0|3,0,0]=4 195 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,0,1,0,0,0|3,0,0]=4 196 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,0,1,0,0,0|3,0,0]=4 197 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,0,1,0,0,0|3,0,0]=4 198 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,0,1,0,0,0|3,0,0]=4 199 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,0,1,0,0,0|3,0,0]=4 200 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,0,1,0,0,0|3,0,0]=4 201 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,0,1,0,0,0|3,0,0]=4 202 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,0,1,0,0,0|2,0,1]=4 203 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,1,0,0,0|2,0,1]=4 204 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,1,0,0,0|1,0,2]=4 205 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,1,0,0,0|1,0,2]=4 206 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,1,0,0,0|3,0,0]=4 207 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,1,0,0,0|3,0,0]=4 208 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,0,1,0,0,0|2,0,0]=3 209 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,0,1,0,0,0|2,0,0]=3 210 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,0,1,0,0,0|2,0,0]=3 211 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,0,1,0,0,0|2,0,0]=3 212 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [0,0,1,0,0,0|3,0,0]=4 213 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [0,0,1,0,0,0|3,0,0]=4 214 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,0,1,0,0,0|2,0,1]=4 215 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,0,1,0,0,0|2,0,1]=4 216 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,0,1,0,0,0|2,0,1]=4 217 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,1,0,0,0|2,0,1]=4 218 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,1,0,0,0|2,0,1]=4 219 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,1,0,0,0|2,0,1]=4 220 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,1,0,0,0|2,0,1]=4 221 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,0,1,0,0,0|3,0,0]=4 222 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,0,1,0,0,0|3,0,0]=4 223 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,1,0,0,0|3,0,0]=4 224 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,1,0,0,0|3,0,0]=4 225 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,1,0,0,0|3,0,0]=4 226 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,1,0,0,0|3,0,0]=4 227 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,1,0,0,0|3,0,0]=4 228 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,1,0,0,0|3,0,0]=4 229 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,1,0,0,0|3,0,0]=4 230 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,1,0,0,0|3,0,0]=4 231 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,1,0,0,0|3,0,0]=4 232 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,1,0,0,0|3,0,0]=4 233 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,1,0,0,0|3,0,0]=4 234 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,1,0,0,0|3,0,0]=4 235 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,0,1,0,0,0|2,0,1]=4 236 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,0,1,0,0,0|2,0,0]=3 237 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,0,1,0,0,0|2,0,0]=3 238 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,0,1,0,0,0|2,0,0]=3 239 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,0,1,0,0,0|2,0,0]=3 240 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,0,1,0,0,0|2,0,1]=4 241 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,0,1,0,0,0|1,0,2]=4 242 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,0,1,0,0,0|2,0,0]=3 243 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,1,0,0,0|1,0,2]=4 244 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,1,0,0,0|3,0,0]=4 245 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,1,0,0,0|3,0,0]=4 246 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,1,0,0,0|3,0,0]=4 247 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,1,0,0,0|3,0,0]=4 248 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,0,1,0,0,0|1,0,2]=4 249 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,0,1,0,0,0|1,0,2]=4 250 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,0,1,0,0,0|3,0,0]=4 251 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,0,1,0,0,0|3,0,0]=4 252 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,0,1,0,0,0|3,0,0]=4 253 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,0,1,0,0,0|3,0,0]=4 254 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,0,1,0,0,0|2,0,0]=3 255 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,0,1,0,0,0|1,0,0]=2 256 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,0,1,0,0,0|2,0,0]=3 257 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,0,1,0,0,0|2,0,0]=3 258 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,0,1,0,0,0|2,0,0]=3 259 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,0,1,0,0,0|2,0,0]=3 260 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,0,1,0,0,0|2,0,1]=4 261 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,0,1,0,0,0|2,0,1]=4 262 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,0,1,0,0,0|1,0,2]=4 263 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,0,1,0,0,0|1,0,2]=4 264 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,0,1,0,0,0|3,0,0]=4 265 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,0,1,0,0,0|3,0,0]=4 266 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,0,1,0,0,0|2,0,1]=4 267 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 268 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 269 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 270 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 271 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,0,1,0,0,0|3,0,0]=4 272 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,0,1,0,0,0|3,0,0]=4 273 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,0,1,0,0,0|3,0,0]=4 274 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,0,1,0,0,0|3,0,0]=4 275 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,0,1,0,0,0|2,0,0]=4 277 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,0,1,0,0,0|2,0,0]=4 278 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,0,1,0,0,0|2,0,0]=4 279 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,1,0,0,0|2,0,0]=4 280 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,1,0,0,0|2,0,0]=4 281 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,1,0,0,0|2,0,0]=4 282 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,1,0,0,0|2,0,0]=4 283 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,1,0,0,0|2,0,0]=4 284 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,1,0,0,0|2,0,0]=4 285 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,1,0,0,0|2,0,0]=4 286 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,1,0,0,0|2,0,0]=4 288 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,1,0,0,0|2,0,0]=4 289 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,1,0,0,0|1,0,1]=4 290 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,1,0,0,0|1,0,1]=4 291 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,1,0,0,0|1,0,1]=4 294 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,1,0,0,0|1,0,1]=4 295 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,1,0,0,0|1,0,0]=3 296 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,1,0,0,0|2,0,0]=4 297 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,1,0,0,0|2,0,0]=4 298 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,1,0,0,0|2,0,0]=4 299 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,1,0,0,0|1,0,1]=4 303 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,1,0,0,0|1,0,1]=4 304 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,1,0,0,0|1,0,1]=4 305 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,1,0,0,0|2,0,0]=4 306 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,1,0,0,0|1,0,0]=3 307 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,1,0,0,0|2,0,0]=4 308 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,1,0,0,0|2,0,0]=4 309 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,1,0,0,0|2,0,0]=4 310 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,1,0,0,0|1,0,1]=4 312 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,1,0,0,0|1,0,1]=4 313 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,1,0,0,0|1,0,1]=4 314 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,1,0,0,0|0,0,2]=4 315 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,1,0,0,0|1,0,1]=4 316 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 317 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 318 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,1,0,0,0|1,0,1]=4 319 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 320 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 321 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 322 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 323 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,1,0,0,0|1,0,1]=4 324 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,1,0,0,0|2,0,0]=4 325 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,1,0,0,0|2,0,0]=4 326 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,1,0,0,0|2,0,0]=4 327 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,1,0,0,0|1,0,1]=4 328 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,1,0,0,0|2,0,0]=4 329 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,1,0,0,0|2,0,0]=4 330 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,1,0,0,0|2,0,0]=4 331 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,1,0,0,0|1,0,1]=4 332 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,1,0,0,0|1,0,1]=4 333 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,1,0,0,0|1,0,1]=4 334 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,1,0,0,0|1,0,1]=4 335 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,1,0,0,0|1,0,1]=4 336 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,1,0,0,0|1,0,1]=4 337 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,1,0,0,0|1,0,1]=4 338 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,1,0,0,0|1,0,1]=4 339 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,1,0,0,0|1,0,1]=4 340 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,1,0,0,0|1,0,1]=4 341 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,1,0,0,0|1,0,1]=4 342 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,1,0,0,0|1,0,1]=4 343 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,1,0,0,0|1,0,1]=4 344 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,1,0,0,0|1,0,1]=4 345 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,1,0,0,0|1,0,1]=4 346 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,1,0,0,0|1,0,1]=4 347 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,1,0,0,0|1,0,1]=4 348 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,1,0,0,0|1,0,1]=4 349 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,1,0,0,0|1,0,1]=4 350 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,1,0,0,0|1,0,1]=4 351 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,1,0,0,0|1,0,0]=3 352 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,1,0,0,0|2,0,0]=4 353 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,1,0,0,0|2,0,0]=4 354 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,1,0,0,0|2,0,0]=4 355 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,1,0,0,0|2,0,0]=4 356 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,1,0,0,0|2,0,0]=4 357 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,1,0,0,0|2,0,0]=4 358 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,1,0,0,0|2,0,0]=4 359 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,1,0,0,0|1,0,1]=4 360 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,1,0,0,0|2,0,0]=4 361 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,1,0,0,0|2,0,0]=4 362 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,1,0,0,0|2,0,0]=4 363 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,1,0,0,0|2,0,0]=4 364 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,1,0,0,0|2,0,0]=4 365 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,1,0,0,0|2,0,0]=4 366 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,1,0,0,0|2,0,0]=4 367 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,1,0,0,0|2,0,0]=4 368 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,1,0,0,0|1,0,1]=4 369 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,1,0,0,0|1,0,1]=4 370 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,1,0,0,0|1,0,1]=4 371 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,1,0,0,0|2,0,0]=4 372 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,1,0,0,0|1,0,1]=4 373 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,1,0,0,0|1,0,1]=4 374 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,1,0,0,0|1,0,1]=4 375 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,1,0,0,0|1,0,1]=4 376 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,1,0,0,0|1,0,1]=4 377 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,1,0,0,0|1,0,1]=4 378 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,1,0,0,0|1,0,1]=4 379 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,1,0,0,0|1,0,1]=4 380 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,0,1,0,0,0|2,0,0]=4 381 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,1,0,0,0|2,0,0]=4 382 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,1,0,0,0|2,0,0]=4 383 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,1,0,0,0|2,0,0]=4 384 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,0,1,0,0,0|2,0,0]=4 385 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,0,1,0,0,0|2,0,0]=4 386 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,1,0,0,0|1,0,0]=3 387 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,1,0,0,0|2,0,0]=4 388 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,1,0,0,0|2,0,0]=4 389 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,0,1,0,0,0|2,0,0]=4 390 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,0,1,0,0,0|2,0,0]=4 391 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,1,0,0,0|2,0,0]=4 392 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,1,0,0,0|2,0,0]=4 393 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,1,0,0,0|2,0,0]=4 394 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,1,0,0,0|1,0,1]=4 395 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,1,0,0,0|1,0,1]=4 396 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,1,0,0,0|1,0,1]=4 397 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,1,0,0,0|1,0,1]=4 398 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,1,0,0,0|2,0,0]=4 399 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,1,0,0,0|1,0,1]=4 400 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,1,0,0,0|1,0,1]=4 401 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,1,0,0,0|2,0,0]=4 402 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,1,0,0,0|1,0,1]=4 403 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,1,0,0,0|1,0,1]=4 404 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,1,0,0,0|1,0,1]=4 405 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,1,0,0,0|1,0,1]=4 406 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,1,0,0,0|1,0,1]=4 407 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,1,0,0,0|1,0,1]=4 408 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,1,0,0,0|1,0,1]=4 409 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,1,0,0,0|1,0,0]=3 410 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,1,0,0,0|1,0,0]=3 411 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,1,0,0,0|1,0,1]=4 412 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,1,0,0,0|1,0,1]=4 413 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,1,0,0,0|1,0,1]=4 414 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,1,0,0,0|1,0,1]=4 415 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,1,0,0,0|1,0,1]=4 416 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,1,0,0,0|1,0,1]=4 417 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,1,0,0,0|1,0,1]=4 418 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,1,0,0,0|1,0,1]=4 419 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,1,0,0,0|2,0,0]=4 420 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,1,0,0,0|2,0,0]=4 421 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,1,0,0,0|2,0,0]=4 422 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,1,0,0,0|2,0,0]=4 423 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,1,0,0,0|2,0,0]=4 424 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,1,0,0,0|2,0,0]=4 425 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,1,0,0,0|2,0,0]=4 426 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,1,0,0,0|2,0,0]=4 427 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,1,0,0,0|1,0,1]=4 428 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,1,0,0,0|1,0,1]=4 429 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,1,0,0,0|1,0,1]=4 430 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,1,0,0,0|1,0,1]=4 431 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,1,0,0,0|1,0,1]=4 432 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,1,0,0,0|2,0,0]=4 433 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,1,0,0,0|2,0,0]=4 434 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,1,0,0,0|1,0,1]=4 435 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,1,0,0,0|1,0,1]=4 436 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,1,0,0,0|1,0,1]=4 437 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [1,0,1,0,0,0|2,0,0]=4 438 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [1,0,1,0,0,0|2,0,0]=4 439 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [1,0,1,0,0,0|2,0,0]=4 440 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,1,0,0,0|2,0,0]=4 441 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,1,0,0,0|1,0,1]=4 442 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,1,0,0,0|1,0,0]=3 443 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [1,0,1,0,0,0|1,0,1]=4 444 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [1,0,1,0,0,0|1,0,1]=4 445 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,1,0,0,0|1,0,1]=4 446 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,1,0,0,0|2,0,0]=4 447 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,1,1,0,0,0|2,0,0]=4 448 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,1,0,0,0|2,0,0]=4 449 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,1,1,0,0,0|2,0,0]=4 450 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,1,1,0,0,0|2,0,0]=4 451 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,1,1,0,0,0|2,0,0]=4 452 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,1,0,0,0|1,0,0]=3 453 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,1,0,0,0|1,0,0]=3 454 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,1,0,0,0|1,0,0]=3 455 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,1,1,0,0,0|2,0,0]=4 456 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,1,0,0,0|2,0,0]=4 457 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,1,1,0,0,0|2,0,0]=4 458 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,1,1,0,0,0|2,0,0]=4 459 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,1,0,0,0|2,0,0]=4 460 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,1,1,0,0,0|2,0,0]=4 461 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,1,1,0,0,0|2,0,0]=4 462 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,1,1,0,0,0|2,0,0]=4 463 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,1,1,0,0,0|2,0,0]=4 464 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,1,1,0,0,0|2,0,0]=4 465 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,1,1,0,0,0|2,0,0]=4 466 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,1,1,0,0,0|2,0,0]=4 467 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,1,1,0,0,0|2,0,0]=4 468 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,1,1,0,0,0|2,0,0]=4 469 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,1,1,0,0,0|2,0,0]=4 470 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,1,1,0,0,0|2,0,0]=4 471 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,1,1,0,0,0|2,0,0]=4 472 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,1,1,0,0,0|2,0,0]=4 473 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,1,1,0,0,0|2,0,0]=4 474 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,1,1,0,0,0|2,0,0]=4 475 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,1,1,0,0,0|2,0,0]=4 476 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,1,1,0,0,0|2,0,0]=4 477 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,1,1,0,0,0|2,0,0]=4 478 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,1,1,0,0,0|2,0,0]=4 479 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,1,0,0,0|2,0,0]=4 480 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,1,0,0,0|2,0,0]=4 481 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,1,1,0,0,0|2,0,0]=4 482 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,1,1,0,0,0|2,0,0]=4 483 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,1,1,0,0,0|2,0,0]=4 484 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,1,1,0,0,0|2,0,0]=4 485 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,1,1,0,0,0|2,0,0]=4 486 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,1,0,0,0|2,0,0]=4 487 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,1,0,0,0|2,0,0]=4 488 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,1,0,0,0|2,0,0]=4 489 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,1,0,0,0|2,0,0]=4 490 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,1,0,0,0|2,0,0]=4 491 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,1,1,0,0,0|2,0,0]=4 492 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,1,1,0,0,0|2,0,0]=4 493 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,1,1,0,0,0|2,0,0]=4 494 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,1,1,0,0,0|2,0,0]=4 495 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,1,1,0,0,0|2,0,0]=4 496 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,1,1,0,0,0|2,0,0]=4 497 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,1,1,0,0,0|2,0,0]=4 498 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,1,1,0,0,0|2,0,0]=4 499 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,1,1,0,0,0|2,0,0]=4 500 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,1,1,0,0,0|2,0,0]=4 501 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,1,0,0,0|1,0,0]=3 502 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,1,1,0,0,0|2,0,0]=4 503 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,1,0,0,0|1,0,0]=3 504 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,1,0,0,0|1,0,0]=3 505 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,1,1,0,0,0|2,0,0]=4 506 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,1,1,0,0,0|2,0,0]=4 507 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,1,1,0,0,0|2,0,0]=4 508 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,1,1,0,0,0|2,0,0]=4 509 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,1,1,0,0,0|2,0,0]=4 510 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,1,1,0,0,0|2,0,0]=4 511 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,1,1,0,0,0|2,0,0]=4 512 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,1,1,0,0,0|2,0,0]=4 513 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,1,0,0,0|2,0,0]=4 514 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,1,0,0,0|2,0,0]=4 515 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,1,0,0,0|2,0,0]=4 516 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,1,0,0,0|2,0,0]=4 517 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,1,0,0,0|2,0,0]=4 518 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,1,0,0,0|2,0,0]=4 519 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,1,0,0,0|2,0,0]=4 520 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,1,0,0,0|2,0,0]=4 521 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,1,0,0,0|2,0,0]=4 522 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,1,0,0,0|2,0,0]=4 523 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,1,0,0,0|2,0,0]=4 524 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,1,0,0,0|2,0,0]=4 525 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,1,1,0,0,0|2,0,0]=4 526 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,1,1,0,0,0|2,0,0]=4 527 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,1,1,0,0,0|2,0,0]=4 528 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,1,1,0,0,0|2,0,0]=4 529 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,1,1,0,0,0|2,0,0]=4 530 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,1,1,0,0,0|2,0,0]=4 531 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,1,0,0,0|1,0,1]=4 532 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,1,0,0,0|1,0,1]=4 533 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,1,0,0,0|1,0,1]=4 534 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,1,0,0,0|1,0,1]=4 535 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,1,0,0,0|1,0,1]=4 536 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,1,0,0,0|1,0,1]=4 537 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,1,0,0,0|1,0,1]=4 538 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,1,0,0,0|1,0,1]=4 539 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,1,0,0,0|1,0,1]=4 540 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,1,0,0,0|1,0,1]=4 541 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,1,0,0,0|1,0,1]=4 542 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,1,0,0,0|1,0,1]=4 543 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,1,0,0,0|1,0,1]=4 544 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,1,0,0,0|1,0,1]=4 545 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,1,0,0,0|1,0,1]=4 546 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,1,0,0,0|1,0,1]=4 547 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,1,1,0,0,0|2,0,0]=4 548 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,1,1,0,0,0|2,0,0]=4 549 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,1,1,0,0,0|2,0,0]=4 550 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,1,0,0,0|1,0,1]=4 551 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,1,1,0,0,0|2,0,0]=4 552 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,1,1,0,0,0|2,0,0]=4 553 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,1,1,0,0,0|2,0,0]=4 554 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,1,1,0,0,0|2,0,0]=4 555 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,1,1,0,0,0|2,0,0]=4 556 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,1,1,0,0,0|2,0,0]=4 557 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,1,1,0,0,0|2,0,0]=4 558 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,1,1,0,0,0|2,0,0]=4 559 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,1,1,0,0,0|2,0,0]=4 560 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,1,1,0,0,0|2,0,0]=4 561 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,1,1,0,0,0|2,0,0]=4 562 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,1,1,0,0,0|2,0,0]=4 563 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,1,0,0,0|2,0,0]=4 564 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,1,1,0,0,0|2,0,0]=4 565 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,1,1,0,0,0|2,0,0]=4 566 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,1,1,0,0,0|2,0,0]=4 567 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,1,1,0,0,0|2,0,0]=4 568 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,1,1,0,0,0|2,0,0]=4 569 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,1,1,0,0,0|2,0,0]=4 570 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,1,1,0,0,0|2,0,0]=4 571 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,1,1,0,0,0|2,0,0]=4 572 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,1,1,0,0,0|2,0,0]=4 573 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,1,1,0,0,0|2,0,0]=4 574 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,1,1,0,0,0|2,0,0]=4 575 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,1,1,0,0,0|2,0,0]=4 576 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,1,1,0,0,0|2,0,0]=4 577 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,1,1,0,0,0|2,0,0]=4 578 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [0,1,1,0,0,0|2,0,0]=4 579 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,1,1,0,0,0|2,0,0]=4 580 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,1,1,0,0,0|1,0,1]=4 581 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,1,1,0,0,0|1,0,1]=4 582 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,1,1,0,0,0|1,0,1]=4 583 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,1,1,0,0,0|1,0,1]=4 584 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,1,1,0,0,0|2,0,0]=4 585 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,1,1,0,0,0|2,0,0]=4 586 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,1,1,0,0,0|2,0,0]=4 587 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,1,1,0,0,0|2,0,0]=4 588 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,1,1,0,0,0|2,0,0]=4 589 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,1,1,0,0,0|1,0,1]=4 590 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,1,1,0,0,0|2,0,0]=4 591 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,1,1,0,0,0|2,0,0]=4 592 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,1,1,0,0,0|2,0,0]=4 593 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,1,1,0,0,0|2,0,0]=4 594 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,1,1,0,0,0|2,0,0]=4 595 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,1,1,0,0,0|2,0,0]=4 596 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,1,1,0,0,0|2,0,0]=4 597 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,1,1,0,0,0|2,0,0]=4 598 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [0,1,1,0,0,0|2,0,0]=4 599 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [0,1,1,0,0,0|2,0,0]=4 600 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [0,1,1,0,0,0|2,0,0]=4 601 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,1,1,0,0,0|2,0,0]=4 602 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,1,1,0,0,0|2,0,0]=4 603 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,1,1,0,0,0|2,0,0]=4 604 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,1,1,0,0,0|2,0,0]=4 605 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,1,1,0,0,0|2,0,0]=4 606 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,1,1,0,0,0|2,0,0]=4 607 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,1,1,0,0,0|2,0,0]=4 608 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,1,1,0,0,0|2,0,0]=4 609 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,1,1,0,0,0|2,0,0]=4 610 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,1,1,0,0,0|2,0,0]=4 611 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,1,1,0,0,0|2,0,0]=4 612 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,1,1,0,0,0|2,0,0]=4 613 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,1,1,0,0,0|2,0,0]=4 614 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,1,1,0,0,0|2,0,0]=4 615 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,1,1,0,0,0|2,0,0]=4 616 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,1,1,0,0,0|2,0,0]=4 617 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,1,1,0,0,0|2,0,0]=4 618 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,1,1,0,0,0|2,0,0]=4 619 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,1,1,0,0,0|2,0,0]=4 620 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,1,1,0,0,0|2,0,0]=4 621 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,1,1,0,0,0|2,0,0]=4 622 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [0,1,1,0,0,0|2,0,0]=4 623 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [0,1,1,0,0,0|2,0,0]=4 624 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [0,1,1,0,0,0|2,0,0]=4 625 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,1,1,0,0,0|2,0,0]=4 626 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,1,1,0,0,0|2,0,0]=4 627 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,1,1,0,0,0|2,0,0]=4 628 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,1,0,0,0|1,0,0]=3 629 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,1,1,0,0,0|2,0,0]=4 630 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,1,1,0,0,0|2,0,0]=4 631 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,1,1,0,0,0|2,0,0]=4 632 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,1,0,0,0|2,0,0]=4 633 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,1,0,0,0|2,0,0]=4 634 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,1,0,0,0|2,0,0]=4 635 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,1,0,0,0|2,0,0]=4 636 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,1,0,0,0|2,0,0]=4 637 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,1,1,0,0,0|2,0,0]=4 638 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,1,1,0,0,0|2,0,0]=4 639 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,1,1,0,0,0|2,0,0]=4 640 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,1,1,0,0,0|2,0,0]=4 641 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,1,1,0,0,0|2,0,0]=4 642 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,1,1,0,0,0|2,0,0]=4 643 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,1,1,0,0,0|2,0,0]=4 644 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,1,1,0,0,0|2,0,0]=4 645 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,1,1,0,0,0|2,0,0]=4 646 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,1,1,0,0,0|2,0,0]=4 647 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [0,1,1,0,0,0|2,0,0]=4 648 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [0,1,1,0,0,0|2,0,0]=4 649 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,1,1,0,0,0|2,0,0]=4 650 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [0,1,1,0,0,0|2,0,0]=4 651 B9R0.44 CCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000211992 [0,1,1,0,0,0|2,0,0]=4 652 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,1,0,0,0|2,0,0]=4 653 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,1,1,0,0,0|2,0,0]=4 654 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,1,0,0,0|2,0,0]=4 655 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,1,0,0,0|2,0,0]=4 656 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,1,0,0,0|2,0,0]=4 657 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,1,1,0,0,0|2,0,0]=4 658 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,1,1,0,0,0|2,0,0]=4 660 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,1,1,0,0,0|1,0,1]=4 661 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,1,0,0,0|2,0,0]=4 662 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,1,0,0,0|2,0,0]=4 663 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,1,1,0,0,0|2,0,0]=4 664 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,1,0,0,0|2,0,0]=4 665 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,1,0,0,0|2,0,0]=4 666 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,1,0,0,0|2,0,0]=4 667 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,1,1,0,0,0|2,0,0]=4 668 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,1,1,0,0,0|2,0,0]=4 669 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,1,1,0,0,0|2,0,0]=4 670 B9R0.58 CCCS(=O)(=O)NC(=O)C 2740a_100000171175_100015343762 [0,1,1,0,0,0|2,0,0]=4 671 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,1,1,0,0,0|2,0,0]=4 672 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,1,1,0,0,0|1,0,1]=4 673 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [0,1,1,0,0,0|2,0,0]=4 674 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [0,1,1,0,0,0|2,0,0]=4 675 B9R0.2 C=C(F)CSCCCC=O 62a_100000042424_200011292268 [0,1,1,0,0,0|2,0,0]=4 676 B9R0.2 C=C(F)CSCCCC=O 62a_200011292268_100000042424 [0,1,1,0,0,0|2,0,0]=4 677 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,1,0,0,0|2,0,0]=4 678 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,1,0,0,0|2,0,0]=4 679 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,1,0,0,0|2,0,0]=4 680 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,1,1,0,0,0|2,0,0]=4 681 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,1,1,0,0,0|2,0,0]=4 682 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,1,1,0,0,0|2,0,0]=4 683 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,1,1,0,0,0|2,0,0]=4 684 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [0,1,1,0,0,0|2,0,0]=4 685 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [0,1,1,0,0,0|2,0,0]=4 686 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [0,1,1,0,0,0|2,0,0]=4 687 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,1,1,0,0,0|1,0,0]=3 688 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [0,1,1,0,0,0|1,0,1]=4 689 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,1,1,0,0,0|2,0,0]=4 690 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,1,1,0,0,0|2,0,0]=4 691 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,1,1,0,0,0|2,0,0]=4 692 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,1,1,0,0,0|1,0,1]=4 693 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,1,1,0,0,0|2,0,0]=4 694 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,1,1,0,0,0|2,0,0]=4 695 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,1,1,0,0,0|1,0,1]=4 696 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,1,1,0,0,0|1,0,1]=4 697 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,1,1,0,0,0|2,0,0]=4 698 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [0,1,1,0,0,0|2,0,0]=4 699 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,1,1,0,0,0|2,0,0]=4 700 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,1,1,0,0,0|2,0,0]=4 701 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [0,1,1,0,0,0|2,0,0]=4 702 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [0,1,1,0,0,0|2,0,0]=4 703 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [0,1,1,0,0,0|2,0,0]=4 704 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,1,1,0,0,0|2,0,0]=4 705 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,1,1,0,0,0|2,0,0]=4 706 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,1,1,0,0,0|2,0,0]=4 707 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,1,1,0,0,0|2,0,0]=4 708 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [0,1,1,0,0,0|2,0,0]=4 709 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,1,1,0,0,0|2,0,0]=4 710 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,1,1,0,0,0|2,0,0]=4 711 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,1,1,0,0,0|2,0,0]=4 712 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,1,1,0,0,0|2,0,0]=4 713 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,1,1,0,0,0|2,0,0]=4 714 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,1,1,0,0,0|2,0,0]=4 715 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,1,1,0,0,0|2,0,0]=4 716 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,1,1,0,0,0|2,0,0]=4 717 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [0,1,1,0,0,0|2,0,0]=4 718 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,1,1,0,0,0|1,0,0]=3 719 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,1,1,0,0,0|1,0,0]=3 720 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,1,1,0,0,0|1,0,0]=3 721 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,1,1,0,0,0|1,0,0]=3 722 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [0,1,1,0,0,0|2,0,0]=4 723 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,1,1,0,0,0|2,0,0]=4 724 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [0,1,1,0,0,0|2,0,0]=4 725 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [0,1,1,0,0,0|2,0,0]=4 726 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,1,1,0,0,0|2,0,0]=4 727 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,1,1,0,0,0|2,0,0]=4 728 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,1,1,0,0,0|1,0,1]=4 729 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,1,1,0,0,0|1,0,1]=4 730 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [0,1,1,0,0,0|1,0,1]=4 731 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,1,1,0,0,0|1,0,1]=4 732 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,1,1,0,0,0|1,0,1]=4 733 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,1,0,0,0|1,0,1]=4 734 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,1,0,0,0|2,0,0]=4 735 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [0,1,1,0,0,0|2,0,0]=4 736 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,1,1,0,0,0|1,0,1]=4 737 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,1,1,0,0,0|1,0,1]=4 738 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,1,1,0,0,0|1,0,1]=4 739 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [0,1,1,0,0,0|1,0,0]=3 740 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [0,1,1,0,0,0|1,0,0]=3 741 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [0,1,1,0,0,0|1,0,0]=3 742 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [0,1,1,0,0,0|1,0,0]=3 743 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [0,1,1,0,0,0|1,0,0]=3 744 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [0,1,1,0,0,0|1,0,0]=3 745 B9R0.2 NC(=O)NCCNCC=O 34a_100020590234_200009817547 [0,1,1,0,0,0|2,0,0]=4 746 B9R0.2 NC(=O)NCCOCC=O 34a_100000181757_200009817547 [0,1,1,0,0,0|2,0,0]=4 747 B9R0.2 NC(=O)NCCSCC=O 62a_200000034859_200015260668 [0,1,1,0,0,0|2,0,0]=4 748 B9R0.2 NC(=O)NCCSCC=O 62a_200015260668_200000034859 [0,1,1,0,0,0|2,0,0]=4 749 B9R0.2 NC(=O)OCCOCC=O 7a_100000766696_200015260668 [0,1,1,0,0,0|2,0,0]=4 750 B9R0.2 NC(=O)OCCSCC=O 62a_200011214921_200015260668 [0,1,1,0,0,0|2,0,0]=4 751 B9R0.2 NC(=O)OCCSCC=O 62a_200015260668_200011214921 [0,1,1,0,0,0|2,0,0]=4 752 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,1,0,0,0|1,0,1]=4 753 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,1,0,0,0|0,0,2]=4 754 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,1,1,0,0,0|0,0,0]=2 755 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [0,1,1,0,0,0|0,0,1]=3 756 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [0,1,1,0,0,0|0,0,1]=3 757 B9R0.2 O=CCCCSC[N+](=O)[O-] 62a_200011292268_100000761209 [0,1,1,0,0,0|1,0,1]=4 758 B9R0.2 O=CCOCCC[N+](=O)[O-] 34a_200000037920_200009817547 [0,1,1,0,0,0|1,0,1]=4 759 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,1,1,0,0,0|2,0,0]=4 760 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,1,0,0,0|1,0,1]=4 761 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,1,1,0,0,0|2,0,0]=4 762 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,1,0,0,0|2,0,0]=4 763 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,1,0,0,0|2,0,0]=4 764 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,1,1,0,0,0|2,0,0]=4 765 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,1,0,0,0|1,0,0]=3 766 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,1,0,0,0|2,0,0]=4 767 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,1,0,0,0|2,0,0]=4 768 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,1,0,0,0|2,0,0]=4 769 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,1,0,0,0|2,0,0]=4 770 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,1,1,0,0,0|2,0,0]=4 771 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,1,1,0,0,0|2,0,0]=4 772 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,1,1,0,0,0|2,0,0]=4 773 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,1,1,0,0,0|2,0,0]=4 774 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,1,1,0,0,0|2,0,0]=4 775 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,1,1,0,0,0|2,0,0]=4 776 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,1,1,0,0,0|2,0,0]=4 777 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,1,1,0,0,0|2,0,0]=4 778 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,1,1,0,0,0|2,0,0]=4 779 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,1,1,0,0,0|2,0,0]=4 780 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,1,0,0,0|1,0,1]=4 781 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,1,1,0,0,0|2,0,0]=4 782 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,1,1,0,0,0|2,0,0]=4 783 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,1,1,0,0,0|2,0,0]=4 784 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,1,1,0,0,0|2,0,0]=4 785 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,1,1,0,0,0|2,0,0]=4 786 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,1,0,0,0|2,0,0]=4 787 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,1,0,0,0|2,0,0]=4 788 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,1,0,0,0|2,0,0]=4 789 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,1,0,0,0|2,0,0]=4 790 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,1,0,0,0|2,0,0]=4 791 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,1,0,0,0|2,0,0]=4 792 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,1,0,0,0|2,0,0]=4 793 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,1,0,0,0|2,0,0]=4 794 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,1,0,0,0|2,0,0]=4 795 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,1,1,0,0,0|1,0,0]=3 796 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,1,1,0,0,0|1,0,0]=3 797 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [0,1,1,0,0,0|2,0,0]=4 798 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,1,0,0,0|2,0,0]=4 799 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,1,0,0,0|2,0,0]=4 800 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,1,0,0,0|2,0,0]=4 801 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,1,0,0,0|2,0,0]=4 802 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,1,0,0,0|1,0,1]=4 803 B9R0.46 NC(=NO)CCOCC=O 34a_100000749954_200009817547 [0,1,1,0,0,0|2,0,0]=4 804 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,1,0,0,0|1,0,1]=4 805 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,1,0,0,0|0,0,2]=4 806 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,1,1,0,0,0|2,0,0]=4 807 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,1,1,0,0,0|2,0,0]=4 808 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,1,1,0,0,0|2,0,0]=4 809 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,1,1,0,0,0|2,0,0]=4 810 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,1,1,0,0,0|2,0,0]=4 811 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,1,1,0,0,0|1,0,0]=3 812 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [0,1,1,0,0,0|2,0,0]=4 813 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,1,1,0,0,0|1,0,0]=3 814 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,1,1,0,0,0|2,0,0]=4 815 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,1,1,0,0,0|1,0,1]=4 816 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,1,0,0,0|1,0,0]=3 817 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,1,1,0,0,0|2,0,0]=4 818 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,1,1,0,0,0|2,0,0]=4 819 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,1,1,0,0,0|2,0,0]=4 820 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,1,1,0,0,0|1,0,0]=3 821 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,1,1,0,0,0|2,0,0]=4 822 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,1,1,0,0,0|2,0,0]=4 823 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,1,1,0,0,0|2,0,0]=4 824 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,1,1,0,0,0|1,0,1]=4 825 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,1,1,0,0,0|2,0,0]=4 826 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,1,1,0,0,0|2,0,0]=4 827 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,1,1,0,0,0|2,0,0]=4 828 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,1,1,0,0,0|1,0,1]=4 829 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,1,1,0,0,0|1,0,1]=4 830 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,1,1,0,0,0|2,0,0]=4 831 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,1,1,0,0,0|2,0,0]=4 832 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,1,1,0,0,0|2,0,0]=4 833 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,1,1,0,0,0|2,0,0]=4 834 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,1,1,0,0,0|2,0,0]=4 835 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [0,1,1,0,0,0|2,0,0]=4 836 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,1,1,0,0,0|1,0,0]=3 837 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [0,1,1,0,0,0|2,0,0]=4 838 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [0,1,1,0,0,0|2,0,0]=4 839 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [0,1,1,0,0,0|1,0,1]=4 840 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [0,1,1,0,0,0|2,0,0]=4 841 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [0,1,1,0,0,0|2,0,0]=4 842 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [0,1,1,0,0,0|1,0,1]=4 843 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [0,1,1,0,0,0|1,0,1]=4 844 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [0,1,1,0,0,0|2,0,0]=4 845 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [0,1,1,0,0,0|2,0,0]=4 846 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,1,1,0,0,0|2,0,0]=4 847 B9R0.22 CCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210202 [0,1,1,0,0,0|2,0,0]=4 848 B9R0.22 CCC(=O)NS(=O)(=O)CC 2740a_100000171174_100000210414 [0,1,1,0,0,0|2,0,0]=4 849 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [0,1,1,0,0,0|1,0,0]=3 850 B9R0.27 CCC(=O)C(C)C(=O)CO 1458a_100000210174_100000742827 [0,1,1,0,0,0|2,0,0]=4 851 B9R0.27 CCC(=O)C(C)C(=O)NC 1458a_100000210414_100000209862 [0,1,1,0,0,0|2,0,0]=4 852 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,1,1,0,0,0|2,0,0]=4 853 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,1,1,0,0,0|2,0,0]=4 854 B9R0.27 CCC(=O)C(F)C(=O)NC 1458a_100000210414_100009813575 [0,1,1,0,0,0|2,0,0]=4 855 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,1,1,0,0,0|1,0,1]=4 856 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,1,1,0,0,0|2,0,0]=4 857 B9R0.42 CCC(=CC(=O)C(C)C)C 1458a_100020758463_100000210206 [0,1,1,0,0,0|2,0,0]=4 858 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,1,0,0,0|1,0,1]=4 859 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,1,1,0,0,0|1,0,0]=3 860 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,1,1,0,0,0|1,0,0]=3 861 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [0,1,1,0,0,0|1,0,0]=3 862 B9R0.42 CCC(=O)CC(=O)C(O)O 1458a_100000233687_100000747405 [0,1,1,0,0,0|2,0,0]=4 863 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,1,1,0,0,0|2,0,0]=4 864 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,1,1,0,0,0|1,0,0]=3 865 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,1,1,0,0,0|1,0,0]=3 866 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,1,1,0,0,0|2,0,0]=4 867 B9R0.42 CNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183359 [0,1,1,0,0,0|2,0,0]=4 868 B9R0.42 CNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183359 [0,1,1,0,0,0|2,0,0]=4 869 B9R0.42 CNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183359 [0,1,1,0,0,0|2,0,0]=4 870 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,1,1,0,0,0|2,0,0]=4 871 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,1,1,0,0,0|2,0,0]=4 872 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,1,1,0,0,0|2,0,0]=4 873 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,1,1,0,0,0|2,0,0]=4 874 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,1,1,0,0,0|2,0,0]=4 875 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,0,1,0|1,0,1]=4 876 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,0,1,0|1,0,1]=4 877 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,0,1,0|0,0,2]=4 878 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,0,1,0|0,0,2]=4 879 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,0,1,0|0,1,1]=4 880 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,0,1,0|0,1,1]=4 881 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,0,1,0|0,0,2]=4 882 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,0,1,0|0,1,1]=4 883 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,0,1,0|0,1,1]=4 884 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,1,1,0,0|2,0,0]=4 885 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,0,1,1,0,0|2,0,0]=4 886 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,0,1,1,0,0|2,0,0]=4 887 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,0,1,1,0,0|2,0,0]=4 888 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,0,1,1,0,0|2,0,0]=4 889 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000209988_100000210623 [0,0,1,1,0,0|2,0,0]=4 890 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000210193_100000749161 [0,0,1,1,0,0|2,0,0]=4 891 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,0,1,1,0,0|2,0,0]=4 892 B9R1.73 O=C(C=CBr)C1CCC1 1458a_100016273825_100000749161 [0,0,1,1,0,0|2,0,0]=4 893 B9R1.73 O=C(C=CCl)C1CCC1 1458a_200016279998_100000749161 [0,0,1,1,0,0|2,0,0]=4 894 B9R1.73 O=C(C=CI)C1CCC1 1458a_100016256311_100000749161 [0,0,1,1,0,0|2,0,0]=4 895 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000210193_100000742324 [0,0,1,1,0,0|2,0,0]=4 896 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000738066_100000210623 [0,0,1,1,0,0|2,0,0]=4 897 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,0,1,1,0,0|2,0,0]=4 898 B9R1.75 O=C(C=CBr)CC1CC1 1458a_100016273825_100000742324 [0,0,1,1,0,0|2,0,0]=4 899 B9R1.75 O=C(C=CCl)CC1CC1 1458a_200016279998_100000742324 [0,0,1,1,0,0|2,0,0]=4 900 B9R1.75 O=C(C=CI)CC1CC1 1458a_100016256311_100000742324 [0,0,1,1,0,0|2,0,0]=4 901 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [0,0,1,1,0,0|2,0,0]=4 902 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,1,1,0,0|2,0,0]=4 903 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,1,1,0,0|2,0,0]=4 904 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,1,1,0,0|2,0,0]=4 905 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,1,1,0,0|2,0,0]=4 906 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,1,1,0,0|1,0,0]=3 907 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,1,1,0,0|2,0,0]=4 908 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,0,1,1,0,0|2,0,0]=4 909 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,0,1,1,0,0|2,0,0]=4 910 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,0,1,1,0,0|2,0,0]=4 911 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,0,1,1,0,0|1,0,0]=3 912 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,0,1,1,0,0|2,0,0]=4 913 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,0,1,1,0,0|2,0,0]=4 914 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,1,1,0,0|2,0,0]=4 915 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,0,1,1,0,0|2,0,0]=4 916 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,0,1,1,0,0|1,0,0]=3 917 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,0,1,1,0,0|2,0,0]=4 918 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,1,0,1,0|1,0,0]=3 919 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,0,1,0,1,0|2,0,0]=4 920 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,0,1,0,1,0|2,0,0]=4 921 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,0,1,0,1,0|2,0,0]=4 922 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,1,0,1,0|1,0,0]=3 923 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,1,0,1,0|1,0,0]=3 924 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,1,0,1,0|1,0,1]=4 925 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,1,0,1,0|1,0,1]=4 926 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,0,1,0,1,0|1,0,1]=4 927 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,0,1,0,1,0|1,0,1]=4 928 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,0,1,0,1,0|1,0,1]=4 929 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,0,1,0,1,0|2,0,0]=4 930 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,0,1,0,1,0|2,0,0]=4 931 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,0,1,0,1,0|2,0,0]=4 932 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,0,1,0,1,0|2,0,0]=4 933 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,1,0,1,0|0,0,2]=4 934 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,1,0,1,0|0,0,2]=4 935 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,1,0,1,0|1,0,1]=4 936 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,1,0,1,0|1,0,1]=4 937 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,1,0,1,0|1,0,1]=4 938 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,1,0,1,0|2,0,0]=4 939 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,1,0,1,0|2,0,0]=4 940 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,1,0,1,0|2,0,0]=4 941 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,1,0,1,0|2,0,0]=4 942 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,1,0,1,0|0,0,2]=4 943 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,1,0,1,0|0,0,2]=4 944 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,1,0,1,0|1,0,0]=3 945 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,1,0,1,0|2,0,0]=4 946 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,1,0,1,0|1,0,0]=3 947 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,0,1,0,1,0|1,0,0]=3 948 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,0,1,0,1,0|1,0,0]=3 949 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,1,0,1,0|1,0,0]=3 950 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,1,0,1,0|1,0,0]=3 951 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,0,1,0,1,0|1,0,1]=4 952 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,0,1,0,1,0|1,0,0]=3 953 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,0,1,0,1,0|1,0,1]=4 954 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,0,1,0,1,0|1,0,1]=4 955 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,0,1,0,1,0|0,0,2]=4 956 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,0,1,0,1,0|2,0,0]=4 957 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,0,1,0,1,0|2,0,0]=4 958 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,0,1,0,1,0|2,0,0]=4 959 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,0,1,0,1,0|2,0,0]=4 960 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,0,1,0,1,0|2,0,0]=4 961 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,0,1,0,1,0|2,0,0]=4 962 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,0,1,0,1,0|2,0,0]=4 963 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,0,1,0,1,0|2,0,0]=4 964 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,0,1,0,1,0|2,0,0]=4 965 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,0,1,0,1,0|2,0,0]=4 966 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,0,1,0,1,0|2,0,0]=4 967 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,0,1,0,1,0|2,0,0]=4 968 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,0,1,0,0,1|2,0,0]=4 969 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,0,1,0,0,1|2,0,0]=4 970 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,0,1,0,0,1|2,0,0]=4 971 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,0,1,0,0,1|2,0,0]=4 972 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,0,1,0,0,1|1,0,0]=3 973 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,0,1,0,0,1|2,0,0]=4 974 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,0,1,0,0,1|1,0,1]=4 975 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,0,1,0,0,1|1,0,1]=4 976 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [0,0,1,0,0,1|2,0,0]=4 977 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,0,1,0,0,1|2,0,0]=4 978 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,0,1,0,0,1|2,0,0]=4 979 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,0,1,0,0,1|2,0,0]=4 980 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,0,1,0,0,1|2,0,0]=4 981 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,0,1,0,0,1|2,0,0]=4 982 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,0,1,0,0,1|2,0,0]=4 983 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,0,1,0,0,1|2,0,0]=4 984 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,0,1,0,0,1|2,0,0]=4 985 B9R0.24 CCC(=O)NNC(=O)CC 22a_100000183195_100000210414 [0,0,1,0,0,1|1,0,0]=3 986 B9R0.24 CCC(=O)NNC(=O)CO 22a_100000183195_100000210174 [0,0,1,0,0,1|2,0,0]=4 987 B9R0.24 CCC(=O)NNC(=O)NC 273464a_100102657272_100000183195 [0,0,1,0,0,1|2,0,0]=4 988 B9R0.24 CCC(=O)NNC(=O)NC 512a_106832991638_100000183195 [0,0,1,0,0,1|2,0,0]=4