0 B10R0.3 C#CCC(=O)CCCC(=O)C 1458a_100011220946_100011215641 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.3 C#CCC(=O)CCCC(=O)N 1458a_100011220946_100102525003 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,0,0,0,0,0|1,0,3]=4 3 B10R0.3 C#CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000184674 [0,0,0,0,0,0|1,0,3]=4 4 B10R0.3 C#CCC(=O)CCNC(=O)C 1458a_100000183196_100000184674 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.3 C#CCC(=O)CCNC(=O)C 1458a_100011220946_100000189650 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.3 C#CCC(=O)CCNC(=O)N 1458a_100000181464_100000184674 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.3 C#CCC(=O)CCNC(=O)N 1458a_100011220946_200000034859 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.3 C#CCC(=O)CCOC(=O)C 1458a_100011220946_100009814007 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.3 C#CCC(=O)CCOC(=O)N 1458a_100011220946_200011214921 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.3 C#CCC(=O)CCSC(=O)C 1458a_100000048949_100000184674 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.3 C#CCC(=O)COCC(=O)N 1458a_100011219004_100000184674 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.3 C#CCC(=O)NCCC(=O)N 527a_100000740010_100011220946 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.3 C#CCN(C)CCCC(=O)O 269956a_100000719178_100000184674 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.3 C=C(C)CNCC(=O)NCC 2230a_100016988866_100000748629 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.3 C=C(C)CNNC(=O)CCC 22a_100000729518_100000211992 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000183381_100000211660 [0,0,0,0,0,0|4,0,0]=4 21 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000748629_100000183381 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.3 C=C(F)CNCC(=O)NCC 2230a_100016988866_100009893438 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.3 C=C(F)COCC(=O)NCC 34a_200010262243_100000183381 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.3 C=C(F)COCC(=O)OCC 34a_200010262243_100000188475 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.3 C=C(F)CSCC(=O)CCC 62a_100000042424_100000747444 [0,0,0,0,0,0|3,0,0]=3 28 B10R0.3 C=C(F)CSCC(=O)CCC 62a_100000747444_100000042424 [0,0,0,0,0,0|3,0,0]=3 29 B10R0.3 C=C(F)CSCC(=O)NCC 62a_100000042424_100000183381 [0,0,0,0,0,0|4,0,0]=4 30 B10R0.3 C=C(F)CSCC(=O)NCC 62a_100000183381_100000042424 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000042424_100000188475 [0,0,0,0,0,0|4,0,0]=4 32 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000188475_100000042424 [0,0,0,0,0,0|4,0,0]=4 33 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,0,0,0,0,0|1,0,2]=3 34 B10R0.3 C=CCC(=O)CCCC(=O)N 1458a_100000210193_100102525003 [0,0,0,0,0,0|1,0,2]=3 35 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,0,0,0,0,0|1,0,3]=4 36 B10R0.3 C=CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210623 [0,0,0,0,0,0|1,0,3]=4 37 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000183196_100000210623 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000210193_100000189650 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.3 C=CCC(=O)CCNC(=O)N 1458a_100000181464_100000210623 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.3 C=CCC(=O)CCNC(=O)N 1458a_100000210193_200000034859 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.3 C=CCC(=O)CCOC(=O)N 1458a_100000210193_200011214921 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.3 C=CCC(=O)CCSC(=O)C 1458a_100000048949_100000210623 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.3 C=CCC(=O)COCC(=O)N 1458a_100011219004_100000210623 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.3 C=CCC(=O)NCCC(=O)N 11a_100000740010_100000210193 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.3 C=CCC(=O)NCCC(=O)N 240690a_100000740010_100000210193 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.3 C=CCC(=O)NCCC(=O)N 527a_100000740010_100000210193 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.3 C=COC(=O)CNCC(=O)O 269956a_100016091260_100000036128 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,0,0,0,0,0|1,0,2]=3 51 B10R0.3 CC#CC(=O)CCCC(=O)N 1458a_100000763181_100102525003 [0,0,0,0,0,0|1,0,2]=3 52 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,0,0,0,0,0|1,0,3]=4 53 B10R0.3 CC#CC(=O)CCNC(=O)C 1458a_100000763181_100000189650 [0,0,0,0,0,0|2,0,2]=4 54 B10R0.3 CC#CC(=O)CCNC(=O)N 1458a_100000763181_200000034859 [0,0,0,0,0,0|2,0,2]=4 55 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.3 CC#CC(=O)CCOC(=O)N 1458a_100000763181_200011214921 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,0,0,0,0,0|3,0,1]=4 58 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,0,0,0,0,0|2,0,2]=4 59 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.3 CC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215641 [0,0,0,0,0,0|2,0,1]=3 62 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,0,0,0,0,0|2,0,0]=2 63 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,0,0,0,0,0|4,0,0]=4 64 B10R0.3 CC(=O)COCC(=O)NCO 34a_100000211253_100000185155 [0,0,0,0,0,0|4,0,0]=4 65 B10R0.3 CC(=O)NCCC(=O)CC#N 1458a_100000183196_100011214920 [0,0,0,0,0,0|3,0,1]=4 66 B10R0.3 CC(=O)NCCC(=O)CC#N 1458a_100051588842_100000189650 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,0,0,0,0,0|3,0,0]=3 68 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,0,0,0,0,0|3,0,0]=3 69 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,0,0,0,0,0|3,0,0]=3 70 B10R0.3 CC(=O)OCCC(=O)CC#N 1458a_100051588842_100009814007 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,0,0,0,0,0|3,0,0]=3 72 B10R0.3 CC(=O)SCCC(=O)CC#N 1458a_100000048949_100011214920 [0,0,0,0,0,0|3,0,1]=4 73 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,0,0,0,0,0|3,0,0]=3 74 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,0,0,0,0,0|3,0,0]=3 75 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,0,0,0,0,0|3,0,1]=4 76 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,0,0,0,0,0|3,0,1]=4 77 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,0,0,0,0,0|2,0,2]=4 79 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,0,0,0,0,0|2,0,1]=3 80 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,0,0,0,0,0|3,0,1]=4 81 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,0,0,0,0,0|1,0,2]=3 82 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,0,0,0,0,0|1,0,2]=3 83 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,0,0,0,0,0|1,0,3]=4 84 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,0,0,0,0,0|2,0,2]=4 85 B10R0.3 CC=CC(=O)CCNC(=O)N 1458a_100000210699_200000034859 [0,0,0,0,0,0|2,0,2]=4 86 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,0,0,0,0,0|2,0,2]=4 87 B10R0.3 CC=CC(=O)CCOC(=O)N 1458a_100000210699_200011214921 [0,0,0,0,0,0|2,0,2]=4 88 B10R0.3 CC=CC(=O)NCCC(=O)N 11a_100000740010_100000210699 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.3 CC=CC(=O)NCCC(=O)N 240690a_100000740010_100000210699 [0,0,0,0,0,0|2,0,2]=4 90 B10R0.3 CCCC(=O)C/C=C/B(O)O 1458a_100000211992_100016262062 [0,0,0,0,0,0|1,0,3]=4 91 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,0|2,0,1]=3 92 B10R0.3 CCCC(=O)CCC=C(F)F 1458a_100000211992_200009816681 [0,0,0,0,0,0|2,0,1]=3 93 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,0,0,0,0,0|1,0,0]=1 94 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,0,0,0,0,0|1,0,0]=1 95 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,0,0,0,0,0|2,0,1]=3 96 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,0,0,0,0,0|2,0,1]=3 97 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,0,0,0,0,0|1,0,1]=2 98 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,0,0,0,0,0|3,0,0]=3 99 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,0,0,0,0,0|1,0,1]=2 100 B10R0.3 CCCC(=O)CCN=C(N)N 1458a_100000033030_100000210303 [0,0,0,0,0,0|3,0,0]=3 101 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,0,0,0,0,0|2,0,0]=2 102 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,0,0,0,0,0|2,0,0]=2 103 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,0,0,0,0,0|2,0,0]=2 104 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,0,0,0,0,0|2,0,0]=2 105 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,0,0,0,0,0|2,0,0]=2 106 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,0,0,0,0,0|2,0,0]=2 107 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,0,0,0,0,0|3,0,1]=4 108 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,0,0,0,0,0|2,0,0]=2 109 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,0,0,0,0,0|3,0,1]=4 110 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,0,0,0,0,0|2,0,0]=2 111 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,0,0,0,0,0|1,0,0]=1 112 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,0,0,0,0,0|3,0,1]=4 113 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,0,0,0,0,0|2,0,1]=3 114 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,0,0,0,0,0|2,0,0]=2 115 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,0,0,0,0,0|3,0,1]=4 116 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,0,0,0,0,0|2,0,0]=2 117 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,0,0,0,0,0|2,0,0]=2 118 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,0,0,0,0,0|1,0,1]=2 119 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,0,0,0,0,0|1,0,1]=2 120 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,0,0,0,0,0|3,0,1]=4 121 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,0,0,0,0,0|3,0,1]=4 122 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,0,0,0,0,0|2,0,1]=3 123 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,0,0,0,0,0|2,0,1]=3 124 B10R0.3 CCCC(=O)CSCC(F)F 62a_100000747444_100011934356 [0,0,0,0,0,0|3,0,1]=4 125 B10R0.3 CCCC(=O)CSCC(F)F 62a_100011934356_100000747444 [0,0,0,0,0,0|3,0,1]=4 126 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,0,0,0,0,0|2,0,1]=3 127 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,0,0,0,0,0|2,0,1]=3 128 B10R0.3 CCCC(=O)CSC[N+](=O)[O-] 62a_100000747444_100000761209 [0,0,0,0,0,0|2,0,1]=3 129 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,0,0,0,0,0|3,0,1]=4 130 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,0,0,0,0,0|3,0,1]=4 131 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,0,0,0,0,0|3,0,1]=4 132 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,0,0,0,0,0|2,0,0]=2 133 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,0,0,0,0,0|2,0,0]=2 134 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,0,0,0,0,0|2,0,0]=2 135 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,0,0,0,0,0|3,0,1]=4 136 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,0,0,0,0,0|3,0,1]=4 137 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,0,0,0,0,0|3,0,1]=4 138 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,0,0,0,0,0|3,0,1]=4 139 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,0,0,0,0,0|2,0,1]=3 140 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,0,0,0,0,0|2,0,1]=3 141 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,0,0,0,0,0|4,0,0]=4 142 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,0,0,0,0,0|4,0,0]=4 143 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,0,0,0,0,0|3,0,1]=4 144 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,0,0,0,0,0|2,0,1]=3 146 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,0,0,0,0,0|3,0,1]=4 147 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,0,0,0,0,0|3,0,1]=4 148 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,0,0,0,0,0|3,0,1]=4 149 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,0,0,0,0,0|2,0,2]=4 150 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,0,0,0,0,0|3,0,1]=4 152 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,0,0,0,0,0|2,0,2]=4 153 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,0,0,0,0,0|2,0,2]=4 154 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,0,0,0,0,0|3,0,1]=4 155 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,0,0,0,0,0|3,0,1]=4 156 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,0,0,0,0,0|3,0,1]=4 157 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,0,0,0,0,0|3,0,1]=4 158 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,0,0,0,0,0|3,0,1]=4 159 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,0,0,0,0,0|3,0,1]=4 160 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,0,0,0,0,0|3,0,1]=4 161 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,0,0,0,0,0|3,0,1]=4 162 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,0,0,0,0,0|3,0,1]=4 163 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,0,0,0,0,0|3,0,1]=4 164 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,0,0,0,0,0|3,0,1]=4 165 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,0,0,0,0,0|3,0,1]=4 166 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,0,0,0,0,0|3,0,1]=4 167 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,0,0,0,0,0|3,0,0]=3 168 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,0,0,0,0,0|3,0,0]=3 169 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,0,0,0,0,0|2,0,0]=2 170 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,0,0,0,0,0|3,0,1]=4 172 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,0,0,0,0,0|4,0,0]=4 173 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,0,0,0,0,0|4,0,0]=4 174 B10R0.3 CCCN(C)CCNC(=O)N 2230a_100000747261_200000034859 [0,0,0,0,0,0|4,0,0]=4 175 B10R0.3 CCCN(C)CCNC(=O)N 269982a_100000747261_200000034859 [0,0,0,0,0,0|4,0,0]=4 176 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,0,0,0,0,0|4,0,0]=4 177 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,0,0,0,0,0|4,0,0]=4 178 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,0,0,0,0,0|3,0,1]=4 179 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,0,0,0,0,0|2,0,2]=4 180 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,0,0,0,0,0|2,0,0]=2 181 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,0,0,0,0,0|2,0,0]=2 182 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,0,0,0,0,0|3,0,1]=4 183 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,0,0,0,0,0|3,0,1]=4 184 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,0,0,0,0,0|3,0,1]=4 185 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,0,0,0,0,0|2,0,1]=3 186 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,0,0,0,0,0|4,0,0]=4 187 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,0,0,0,0,0|4,0,0]=4 188 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 11a_100015525214_100016109205 [0,0,0,0,0,0|2,0,1]=3 189 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 240690a_100015525214_100016109205 [0,0,0,0,0,0|2,0,1]=3 190 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 527a_100015525214_100016109205 [0,0,0,0,0,0|2,0,1]=3 191 B10R0.3 CCNC(=O)CCN=C(N)N 240690a_100015525214_100000033030 [0,0,0,0,0,0|4,0,0]=4 192 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,0,0,0,0,0|3,0,0]=3 193 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,0,0,0,0,0|3,0,0]=3 194 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,0,0,0,0,0|3,0,0]=3 195 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,0,0,0,0,0|3,0,0]=3 196 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,0,0,0,0,0|3,0,0]=3 197 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,0,0,0,0,0|3,0,0]=3 198 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,0,0,0,0,0|3,0,0]=3 199 B10R0.3 CCNC(=O)CCNC(=O)N 240690a_100015525214_100000181464 [0,0,0,0,0,0|3,0,0]=3 200 B10R0.3 CCNC(=O)CCNC(=O)N 527a_100015525214_100000181464 [0,0,0,0,0,0|3,0,0]=3 201 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,0,0,0,0,0|3,0,0]=3 202 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100000711301_100000183381 [0,0,0,0,0,0|3,0,0]=3 203 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100016988866_100000747473 [0,0,0,0,0,0|3,0,0]=3 204 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,0,0,0,0,0|2,0,0]=2 205 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,0,0,0,0,0|3,0,1]=4 206 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,0,0,0,0,0|3,0,1]=4 207 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,0,0,0,0,0|3,0,1]=4 208 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,0,0,0,0,0|3,0,1]=4 209 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,0,0,0,0,0|3,0,0]=3 210 B10R0.3 CCNC(=O)COCC(=O)N 240690a_100015525214_100011219004 [0,0,0,0,0,0|3,0,0]=3 211 B10R0.3 CCNC(=O)COCC(=O)N 527a_100015525214_100011219004 [0,0,0,0,0,0|3,0,0]=3 212 B10R0.3 CCNC(=O)CSCC(=O)N 11a_100015525214_100000150265 [0,0,0,0,0,0|3,0,0]=3 213 B10R0.3 CCNC(=O)CSCC(=O)N 240690a_100015525214_100000150265 [0,0,0,0,0,0|3,0,0]=3 214 B10R0.3 CCNC(=O)CSCC(=O)N 527a_100015525214_100000150265 [0,0,0,0,0,0|3,0,0]=3 215 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000183381_100000747473 [0,0,0,0,0,0|3,0,0]=3 216 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000747473_100000183381 [0,0,0,0,0,0|3,0,0]=3 217 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100000183381_100020667443 [0,0,0,0,0,0|2,0,1]=3 218 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183381 [0,0,0,0,0,0|2,0,1]=3 219 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,0,0,0,0,0|3,0,1]=4 220 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,0,0,0,0,0|3,0,1]=4 221 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,0,0,0,0,0|3,0,1]=4 222 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,0,0,0,0,0|3,0,1]=4 223 B10R0.3 CCNC(=O)CSC[N+](=O)[O-] 62a_100000183381_100000761209 [0,0,0,0,0,0|3,0,1]=4 224 B10R0.3 CCNC(=O)NCCC(=O)N 2708a_100015525214_100000740010 [0,0,0,0,0,0|3,0,0]=3 225 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100000740010_100015525214 [0,0,0,0,0,0|3,0,0]=3 226 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100015525214_100000740010 [0,0,0,0,0,0|3,0,0]=3 227 B10R0.3 CCNC(=O)NCCC(=O)N 512a_100015525214_100000740010 [0,0,0,0,0,0|3,0,0]=3 228 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,0,0,0,0,0|3,0,1]=4 229 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,0,0,0,0,0|3,0,1]=4 230 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,0,0,0,0,0|3,0,1]=4 231 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,0,0,0,0,0|3,0,1]=4 232 B10R0.3 CCNC(=S)SCCC(=O)C 1458a_200009862762_200000210301 [0,0,0,0,0,0|3,1,0]=4 233 B10R0.3 CCNC(=S)SCCC(=O)[13CH3] 1458a_200009862762_200025704644 [0,0,0,0,0,0|3,1,0]=4 234 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,0,0,0,0,0|2,0,0]=2 235 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,0,0,0,0,0|2,0,0]=2 236 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,0,0,0,0,0|2,0,0]=2 237 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,0,0,0,0,0|4,0,0]=4 238 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,0,0,0,0,0|4,0,0]=4 239 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,0,0,0,0,0|3,0,0]=3 240 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,0,0,0,0,0|3,0,0]=3 241 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,0,0,0,0,0|2,0,0]=2 242 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,0,0,0,0,0|3,0,1]=4 243 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,0,0,0,0,0|3,0,1]=4 244 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,0,0,0,0,0|3,0,0]=3 245 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,0,0,0,0,0|3,0,0]=3 246 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,0,0,0,0,0|3,0,0]=3 247 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,0,0,0,0,0|2,0,1]=3 248 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,0,0,0,0,0|2,0,1]=3 249 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,0,0,0,0,0|3,0,1]=4 250 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,0,0,0,0,0|3,0,1]=4 251 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,0,0,0,0,0|3,0,1]=4 252 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,0,0,0,0,0|3,0,1]=4 253 B10R0.3 CCOC(=O)CSC[N+](=O)[O-] 62a_100000188475_100000761209 [0,0,0,0,0,0|3,0,1]=4 254 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,0,0,0,0,0|3,0,0]=3 255 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,0,0,0,0,0|2,0,2]=4 256 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,0,0,0,0,0|4,0,0]=4 257 B10R0.3 CN(CC#N)CCCC(=O)O 269956a_100000719178_100011215382 [0,0,0,0,0,0|3,0,1]=4 258 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [0,0,0,0,0,0|3,0,1]=4 259 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,0,0,0,0,0|3,0,0]=3 260 B10R0.3 CN(CCO)CCCC(=O)N 269982a_100000210263_100102525003 [0,0,0,0,0,0|4,0,0]=4 261 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,0,0,0,0,0|3,0,0]=3 262 B10R0.3 CNCC(=O)NCCC(=O)N 2230a_200138414118_200000210301 [0,0,0,0,0,0|3,0,0]=3 263 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,0,0,0,0,0|3,0,1]=4 264 B10R0.3 CNNC(=O)CCC[N+](=O)[O-] 22a_100016993582_100016109205 [0,0,0,0,0,0|3,0,1]=4 265 B10R0.3 CNNC(=O)CCNC(=O)C 22a_100016993582_100000183196 [0,0,0,0,0,0|4,0,0]=4 266 B10R0.3 CNNC(=O)CCNC(=O)N 22a_100016993582_100000181464 [0,0,0,0,0,0|4,0,0]=4 267 B10R0.3 CNNC(=O)COCC(=O)N 22a_100016993582_100011219004 [0,0,0,0,0,0|4,0,0]=4 268 B10R0.3 CNNC(=O)CSCC(=O)N 22a_100016993582_100000150265 [0,0,0,0,0,0|4,0,0]=4 269 B10R0.3 CNNC(=O)NCCC(=O)N 273464a_100000740010_100016993582 [0,0,0,0,0,0|4,0,0]=4 270 B10R0.3 CNNC(=O)NCCC(=O)N 512a_100016993582_100000740010 [0,0,0,0,0,0|4,0,0]=4 271 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,0,0,0,0,0|3,0,1]=4 272 B10R0.3 COCC(=O)CCC=C(F)F 1458a_100000210968_200009816681 [0,0,0,0,0,0|3,0,1]=4 273 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,0,0,0,0,0|2,0,0]=2 274 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,0,0,0,0,0|2,0,0]=2 275 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,0,0,0,0,0|3,0,1]=4 276 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,0,0,0,0,0|2,0,1]=3 277 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,0,0,0,0,0|4,0,0]=4 278 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,0,0,0,0,0|3,0,0]=3 279 B10R0.3 COCC(=O)CCNC(=O)N 1458a_100000210968_200000034859 [0,0,0,0,0,0|3,0,0]=3 280 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,0,0,0,0,0|3,0,0]=3 281 B10R0.3 COCC(=O)CCOC(=O)N 1458a_100000210968_200011214921 [0,0,0,0,0,0|3,0,0]=3 282 B10R0.3 COCC(=O)NCCC(=O)N 11a_100000740010_100000210968 [0,0,0,0,0,0|3,0,0]=3 283 B10R0.3 COCC(=O)NCCC(=O)N 240690a_100000740010_100000210968 [0,0,0,0,0,0|3,0,0]=3 284 B10R0.3 COCC(=O)NCCC(=O)N 527a_100000740010_100000210968 [0,0,0,0,0,0|3,0,0]=3 285 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,0,0,0,0,0|3,0,1]=4 286 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,0,0,0,0,0|3,0,1]=4 287 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,0,0,0,0,0|2,0,2]=4 288 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,0,0,0,0,0|3,0,0]=3 289 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,0,0,0,0,0|3,0,1]=4 290 B10R0.3 CSCC(=O)CCC=C(F)F 1458a_100000184570_200009816681 [0,0,0,0,0,0|3,0,1]=4 291 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,0,0,0,0,0|2,0,0]=2 292 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,0,0,0,0,0|2,0,0]=2 293 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,0,0,0,0,0|3,0,1]=4 294 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,0,0,0,0,0|2,0,1]=3 295 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,0,0,0,0,0|4,0,0]=4 296 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,0,0,0,0,0|3,0,0]=3 297 B10R0.3 CSCC(=O)CCNC(=O)N 1458a_100000184570_200000034859 [0,0,0,0,0,0|3,0,0]=3 298 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,0,0,0,0,0|3,0,0]=3 299 B10R0.3 CSCC(=O)CCOC(=O)N 1458a_100000184570_200011214921 [0,0,0,0,0,0|3,0,0]=3 300 B10R0.3 CSCC(=O)NCCC(=O)N 11a_100000740010_100000184570 [0,0,0,0,0,0|3,0,0]=3 301 B10R0.3 CSCC(=O)NCCC(=O)N 240690a_100000740010_100000184570 [0,0,0,0,0,0|3,0,0]=3 302 B10R0.3 CSCC(=O)NCCC(=O)N 527a_100000740010_100000184570 [0,0,0,0,0,0|3,0,0]=3 303 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,0,0,0,0,0|3,0,1]=4 304 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,0,0,0,0,0|3,0,1]=4 305 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,0,0,0,0,0|3,0,0]=3 306 B10R0.3 N#CCC(=O)CCCC(=O)N 1458a_100051588842_100102525003 [0,0,0,0,0,0|2,0,1]=3 307 B10R0.3 N#CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011214920 [0,0,0,0,0,0|2,0,2]=4 308 B10R0.3 N#CCC(=O)CCNC(=O)N 1458a_100000181464_100011214920 [0,0,0,0,0,0|3,0,1]=4 309 B10R0.3 N#CCC(=O)CCNC(=O)N 1458a_100051588842_200000034859 [0,0,0,0,0,0|3,0,1]=4 310 B10R0.3 N#CCC(=O)CCOC(=O)N 1458a_100051588842_200011214921 [0,0,0,0,0,0|3,0,1]=4 311 B10R0.3 N#CCC(=O)COCC(=O)N 1458a_100011219004_100011214920 [0,0,0,0,0,0|3,0,1]=4 312 B10R0.3 N#CCC(=O)NCCC(=O)N 240690a_100000740010_100051588842 [0,0,0,0,0,0|3,0,1]=4 313 B10R0.3 NC(=NCCC(=O)CCF)N 1458a_100000033030_100011217306 [0,0,0,0,0,0|4,0,0]=4 314 B10R0.3 NC(=NCCC(=O)CCO)N 1458a_100000033030_100000211926 [0,0,0,0,0,0|4,0,0]=4 315 B10R0.3 NC(=O)CCCC(=O)C=CBr 1458a_100016273825_100102525003 [0,0,0,0,0,0|2,0,2]=4 316 B10R0.3 NC(=O)CCCC(=O)C=CCl 1458a_200016279998_100102525003 [0,0,0,0,0,0|2,0,2]=4 317 B10R0.3 NC(=O)CCCC(=O)C=CI 1458a_100016256311_100102525003 [0,0,0,0,0,0|2,0,2]=4 318 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,0,0,0,0,0|2,0,0]=2 319 B10R0.3 NC(=O)CCNC(=O)CCO 240690a_100000740010_100011216618 [0,0,0,0,0,0|3,0,0]=3 320 B10R0.3 NC(=O)CNCC(=O)NCO 2230a_100000711301_100000185155 [0,0,0,0,0,0|4,0,0]=4 321 B10R0.3 NC(=O)COCC(=O)CCF 1458a_100011219004_100011217306 [0,0,0,0,0,0|3,0,0]=3 322 B10R0.3 NC(=O)COCC(=O)CCO 1458a_100011219004_100000211926 [0,0,0,0,0,0|3,0,0]=3 323 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000185155_100000747473 [0,0,0,0,0,0|4,0,0]=4 324 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000747473_100000185155 [0,0,0,0,0,0|4,0,0]=4 325 B10R0.3 NC(=O)NCCC(=O)CCF 1458a_100000181464_100011217306 [0,0,0,0,0,0|3,0,0]=3 326 B10R0.3 NC(=O)NCCC(=O)CCO 1458a_100000181464_100000211926 [0,0,0,0,0,0|3,0,0]=3 327 B10R0.3 NC(=O)NCCC(=O)CCO 1458a_100011216618_200000034859 [0,0,0,0,0,0|3,0,0]=3 328 B10R0.3 NC(=O)OCCC(=O)CCO 1458a_100011216618_200011214921 [0,0,0,0,0,0|3,0,0]=3 329 B10R0.3 O=C(CCF)CCC[N+](=O)[O-] 1458a_100016109205_100011217306 [0,0,0,0,0,0|2,0,1]=3 330 B10R0.3 O=C(CCO)CCC=C(F)F 1458a_100011216618_200009816681 [0,0,0,0,0,0|3,0,1]=4 331 B10R0.3 O=C(CCO)CCC[N+](=O)[O-] 1458a_100016109205_100000211926 [0,0,0,0,0,0|2,0,1]=3 332 B10R0.3 O=C(O)CNCC(=O)NCO 269956a_100016091260_100000185155 [0,0,0,0,0,0|3,0,0]=3 333 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100000185155_100020667443 [0,0,0,0,0,0|3,0,1]=4 334 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100020667443_100000185155 [0,0,0,0,0,0|3,0,1]=4 335 B10R0.3 [13CH3]NCC(=O)NCCC(=O)N 2230a_200138414118_200025704644 [0,0,0,0,0,0|3,0,0]=3 336 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [1,0,0,0,0,0|1,0,2]=4 337 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [1,0,0,0,0,0|1,0,2]=4 338 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [1,0,0,0,0,0|3,0,0]=4 339 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [1,0,0,0,0,0|3,0,0]=4 340 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [1,0,0,0,0,0|3,0,0]=4 341 B9R0.1 C=C(F)COCC(=O)CC 34a_100000725409_100009893438 [1,0,0,0,0,0|3,0,0]=4 342 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000042424_100000747405 [1,0,0,0,0,0|3,0,0]=4 343 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000747405_100000042424 [1,0,0,0,0,0|3,0,0]=4 344 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,0,0,0,0,0|1,0,2]=4 345 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [1,0,0,0,0,0|1,0,2]=4 346 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,0,0,0,0,0|2,0,0]=3 347 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [1,0,0,0,0,0|3,0,0]=4 348 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [1,0,0,0,0,0|3,0,0]=4 349 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,0,0,0,0,0|3,0,0]=4 350 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [1,0,0,0,0,0|3,0,0]=4 351 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,0,0,0,0,0|2,0,1]=4 352 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,0,0,0,0,0|2,0,1]=4 353 B9R0.1 CCC(=O)CCC=C(F)F 1458a_100000210414_200009816681 [1,0,0,0,0,0|2,0,1]=4 354 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,0,0,0,0,0|1,0,0]=2 355 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,0,0,0,0,0|1,0,0]=2 356 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,0,0,0,0,0|2,0,1]=4 357 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,0,0,0,0,0|2,0,1]=4 358 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [1,0,0,0,0,0|1,0,1]=3 359 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [1,0,0,0,0,0|3,0,0]=4 360 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [1,0,0,0,0,0|1,0,1]=3 361 B9R0.1 CCC(=O)CCN=C(N)N 1458a_100000033030_100000210202 [1,0,0,0,0,0|3,0,0]=4 362 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [1,0,0,0,0,0|2,0,0]=3 363 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [1,0,0,0,0,0|2,0,0]=3 364 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [1,0,0,0,0,0|2,0,0]=3 365 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [1,0,0,0,0,0|2,0,0]=3 366 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [1,0,0,0,0,0|2,0,0]=3 367 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [1,0,0,0,0,0|2,0,0]=3 368 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [1,0,0,0,0,0|2,0,0]=3 369 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,0,0,0,0,0|1,0,0]=2 370 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [1,0,0,0,0,0|2,0,0]=3 371 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [1,0,0,0,0,0|2,0,0]=3 372 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [1,0,0,0,0,0|1,0,1]=3 373 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [1,0,0,0,0,0|2,0,1]=4 374 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [1,0,0,0,0,0|2,0,1]=4 375 B9R0.1 CCC(=O)COC[N+](=O)[O-] 34a_100000725409_100000761209 [1,0,0,0,0,0|2,0,1]=4 376 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [1,0,0,0,0,0|2,0,0]=3 377 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [1,0,0,0,0,0|2,0,0]=3 378 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [1,0,0,0,0,0|1,0,1]=3 379 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [1,0,0,0,0,0|1,0,1]=3 380 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [1,0,0,0,0,0|2,0,1]=4 381 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [1,0,0,0,0,0|2,0,1]=4 382 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [1,0,0,0,0,0|2,0,1]=4 383 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [1,0,0,0,0,0|2,0,1]=4 384 B9R0.1 CCC(=O)CSC[N+](=O)[O-] 62a_100000747405_100000761209 [1,0,0,0,0,0|2,0,1]=4 385 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [1,0,0,0,0,0|2,0,0]=3 386 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [1,0,0,0,0,0|2,0,0]=3 387 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [1,0,0,0,0,0|2,0,0]=3 388 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [1,0,0,0,0,0|2,0,1]=4 389 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [1,0,0,0,0,0|2,0,1]=4 390 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [1,0,0,0,0,0|2,0,1]=4 391 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [1,0,0,0,0,0|1,0,2]=4 392 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [1,0,0,0,0,0|3,0,0]=4 393 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [1,0,0,0,0,0|3,0,0]=4 394 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [1,0,0,0,0,0|3,0,0]=4 395 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [1,0,0,0,0,0|2,0,0]=3 396 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [1,0,0,0,0,0|2,0,1]=4 397 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [1,0,0,0,0,0|3,0,0]=4 398 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,0,0,0,0,0|2,0,0]=3 399 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [1,0,0,0,0,0|2,0,1]=4 400 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [1,0,0,0,0,0|2,0,1]=4 401 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [1,0,0,0,0,0|2,0,1]=4 402 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [1,0,0,0,0,0|2,0,1]=4 403 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [1,0,0,0,0,0|2,0,1]=4 404 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [1,0,0,0,0,0|2,0,1]=4 405 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [1,0,0,0,0,0|3,0,0]=4 406 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [1,0,0,0,0,0|3,0,0]=4 407 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [1,0,0,0,0,0|3,0,0]=4 408 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [1,0,0,0,0,0|3,0,0]=4 409 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [1,0,0,0,0,0|3,0,0]=4 410 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [1,0,0,0,0,0|3,0,0]=4 411 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [1,0,0,0,0,0|3,0,0]=4 412 B9R0.1 CNC(=O)CCNC(=O)N 240690a_100102657272_100000181464 [1,0,0,0,0,0|3,0,0]=4 413 B9R0.1 CNC(=O)CCNC(=O)N 527a_100102657272_100000181464 [1,0,0,0,0,0|3,0,0]=4 414 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [1,0,0,0,0,0|3,0,0]=4 415 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [1,0,0,0,0,0|3,0,0]=4 416 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000693194_100000747473 [1,0,0,0,0,0|3,0,0]=4 417 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000711301_100000183359 [1,0,0,0,0,0|3,0,0]=4 418 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [1,0,0,0,0,0|2,0,0]=3 419 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [1,0,0,0,0,0|3,0,0]=4 420 B9R0.1 CNC(=O)COCC(=O)N 1626a_100102657272_100011219004 [1,0,0,0,0,0|3,0,0]=4 421 B9R0.1 CNC(=O)COCC(=O)N 240690a_100102657272_100011219004 [1,0,0,0,0,0|3,0,0]=4 422 B9R0.1 CNC(=O)COCC(=O)N 34a_100000750040_100000187820 [1,0,0,0,0,0|3,0,0]=4 423 B9R0.1 CNC(=O)COCC(=O)N 527a_100102657272_100011219004 [1,0,0,0,0,0|3,0,0]=4 424 B9R0.1 CNC(=O)COCC(=O)[O-] 34a_100000750040_100020667443 [1,0,0,0,0,0|2,0,1]=4 425 B9R0.1 CNC(=O)CSCC(=O)N 11a_106832991635_100000150265 [1,0,0,0,0,0|3,0,0]=4 426 B9R0.1 CNC(=O)CSCC(=O)N 240690a_100102657272_100000150265 [1,0,0,0,0,0|3,0,0]=4 427 B9R0.1 CNC(=O)CSCC(=O)N 527a_100102657272_100000150265 [1,0,0,0,0,0|3,0,0]=4 428 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000183359_100000747473 [1,0,0,0,0,0|3,0,0]=4 429 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000747473_100000183359 [1,0,0,0,0,0|3,0,0]=4 430 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100000183359_100020667443 [1,0,0,0,0,0|2,0,1]=4 431 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183359 [1,0,0,0,0,0|2,0,1]=4 432 B9R0.1 CNC(=O)NCCC(=O)N 2708a_100102657272_100000740010 [1,0,0,0,0,0|3,0,0]=4 433 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100000740010_100102657272 [1,0,0,0,0,0|3,0,0]=4 434 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100102657272_100000740010 [1,0,0,0,0,0|3,0,0]=4 435 B9R0.1 CNC(=O)NCCC(=O)N 512a_106832991638_100000740010 [1,0,0,0,0,0|3,0,0]=4 436 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [1,0,0,0,0,0|3,0,0]=4 437 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,0,0,0,0,0|2,0,0]=3 438 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,0,0,0,0,0|2,0,0]=3 439 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,0,0,0,0,0|2,0,0]=3 440 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,0,0,0,0,0|3,0,0]=4 441 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [1,0,0,0,0,0|3,0,0]=4 442 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,0,0,0,0,0|2,0,0]=3 443 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [1,0,0,0,0,0|3,0,0]=4 444 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,0,0,0,0,0|3,0,0]=4 445 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [1,0,0,0,0,0|3,0,0]=4 446 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [1,0,0,0,0,0|3,0,0]=4 447 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,0,0,0,0,0|3,0,0]=4 448 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [1,0,0,0,0,0|2,0,1]=4 449 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [1,0,0,0,0,0|2,0,1]=4 450 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [1,0,0,0,0,0|2,0,0]=3 451 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [1,0,0,0,0,0|3,0,0]=4 452 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [1,0,0,0,0,0|3,0,0]=4 453 B9R0.1 NC(=O)COCC(=O)CF 1458a_100011219004_100015361967 [1,0,0,0,0,0|3,0,0]=4 454 B9R0.1 NC(=O)NCCC(=O)CF 1458a_100000181464_100015361967 [1,0,0,0,0,0|3,0,0]=4 455 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [1,0,0,0,0,0|3,0,0]=4 456 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [1,0,0,0,0,0|3,0,0]=4 457 B9R0.1 O=C(CF)CCC[N+](=O)[O-] 1458a_100016109205_100015361967 [1,0,0,0,0,0|2,0,1]=4 458 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|2,0,1]=4 459 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|2,0,1]=4 460 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|2,0,1]=4 461 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,0,0,0,0,0|3,0,0]=4 462 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|3,0,0]=4 463 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,0,0,0,0,0|3,0,0]=4 464 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,0,0,0,0,0|3,0,0]=4 465 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,0,0,0,0,0|3,0,0]=4 466 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,0,0,0,0,0|3,0,0]=4 467 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|3,0,0]=4 468 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|3,0,0]=4 469 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,0,0,0,0,0|3,0,0]=4 470 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,0,0,0,0,0|3,0,0]=4 471 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|3,0,0]=4 472 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|3,0,0]=4 473 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [1,0,0,0,0,0|2,0,1]=4 474 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,0,0,0,0,0|1,0,1]=3 475 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [1,0,0,0,0,0|2,0,1]=4 476 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [1,0,0,0,0,0|2,0,1]=4 477 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [1,0,0,0,0,0|1,0,2]=4 478 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [1,0,0,0,0,0|2,0,1]=4 479 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [1,0,0,0,0,0|2,0,1]=4 480 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [1,0,0,0,0,0|1,0,2]=4 481 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [1,0,0,0,0,0|1,0,2]=4 482 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [1,0,0,0,0,0|1,0,2]=4 483 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|1,0,1]=3 484 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|1,0,1]=3 485 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|1,0,1]=3 486 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|2,0,1]=4 487 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|2,0,1]=4 488 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|2,0,1]=4 489 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|2,0,1]=4 490 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,0,0,0,0|2,0,1]=4 491 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,0,0,0,0|2,0,1]=4 492 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|1,0,1]=3 493 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|2,0,1]=4 494 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,0,0,0,0|2,0,1]=4 495 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,0,0,0,0|2,0,1]=4 496 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|1,0,2]=4 497 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,0,0,0,0|2,0,1]=4 498 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,0,0,0,0|2,0,1]=4 499 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|1,0,2]=4 500 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|1,0,2]=4 501 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|2,0,1]=4 502 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,0,0,0,0|2,0,1]=4 503 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,0,0,0,0|2,0,1]=4 504 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,0,0,0,0,0|2,0,1]=4 505 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|2,0,1]=4 506 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|2,0,1]=4 507 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|2,0,1]=4 508 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|2,0,1]=4 509 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,0,0,0,0|2,0,1]=4 510 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,0,0,0,0|2,0,1]=4 511 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,0,0,0,0|2,0,1]=4 512 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,0,0,0,0|2,0,1]=4 513 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|2,0,1]=4 514 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|2,0,1]=4 515 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|2,0,1]=4 516 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|2,0,1]=4 517 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,0,0,0,0|2,0,0]=3 518 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,0,0,0,0,0|3,0,0]=4 519 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,0,0,0,0|3,0,0]=4 520 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,0,0,0,0,0|3,0,0]=4 521 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|2,0,0]=3 522 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|2,0,0]=3 523 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|2,0,0]=3 524 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,0,0,0,0|2,0,0]=3 525 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|2,0,1]=4 526 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,0,0,0,0,0|2,0,1]=4 527 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,0,0,0,0|3,0,0]=4 528 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,0,0,0,0|3,0,0]=4 529 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,0,0,0,0|3,0,0]=4 530 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,0,0,0,0|3,0,0]=4 531 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,0,0,0,0,0|3,0,0]=4 532 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,0,0,0,0|3,0,0]=4 533 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,0,0,0,0,0|3,0,0]=4 534 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,0,0,0,0,0|3,0,0]=4 535 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|2,0,0]=3 536 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|2,0,0]=3 537 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,0,0,0,0|2,0,0]=3 538 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,0,0,0,0|2,0,0]=3 539 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|2,0,1]=4 540 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|2,0,1]=4 541 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,0,0,0,0|3,0,0]=4 542 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,0,0,0,0|3,0,0]=4 543 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,0,0,0,0|3,0,0]=4 544 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,0,0,0,0|3,0,0]=4 545 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,0,0,0,0|3,0,0]=4 546 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,0,0,0,0,0|3,0,0]=4 547 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,0,0,0,0,0|3,0,0]=4 548 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,0,0,0,0|3,0,0]=4 549 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,0,0,0,0|3,0,0]=4 550 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,0,0,0,0,0|3,0,0]=4 551 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,0,0,0,0,0|3,0,0]=4 552 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,0,0,0,0|2,0,1]=4 553 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,0,0,0,0|2,0,1]=4 554 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|2,0,1]=4 555 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,0,0,0,0|2,0,1]=4 556 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,0,0,0,0|2,0,1]=4 557 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,0,0,0,0,0|2,0,1]=4 558 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|2,0,1]=4 559 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|2,0,1]=4 560 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,0,0,0,0,0|2,0,1]=4 561 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|2,0,1]=4 562 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|2,0,1]=4 563 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|2,0,1]=4 564 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|2,0,1]=4 565 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|2,0,1]=4 566 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|2,0,1]=4 567 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|2,0,1]=4 568 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|2,0,1]=4 569 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|1,0,2]=4 570 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,0,0,0,0|2,0,1]=4 571 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,0,0,0,0,0|3,0,0]=4 572 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,0,0,0,0,0|3,0,0]=4 573 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,0,0,0,0,0|3,0,0]=4 574 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,0,0,0,0,0|3,0,0]=4 575 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|2,0,1]=4 576 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|2,0,1]=4 577 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [1,0,0,0,0,0|3,0,0]=4 578 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,0,0,0,0,0|3,0,0]=4 579 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,0,0,0,0,0|3,0,0]=4 580 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,0,0,0,0,0|3,0,0]=4 581 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [1,0,0,0,0,0|3,0,0]=4 582 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [1,0,0,0,0,0|3,0,0]=4 583 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,0,0,0,0,0|3,0,0]=4 584 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,0,0,0,0,0|3,0,0]=4 585 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,0,0,0,0,0|3,0,0]=4 586 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,0,0,0,0,0|3,0,0]=4 587 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,0,0,0,0,0|3,0,0]=4 588 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,0,0,0,0,0|3,0,0]=4 589 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,0,0,0,0,0|3,0,0]=4 590 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,0,0,0,0,0|3,0,0]=4 591 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,0,0,0,0,0|3,0,0]=4 592 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,0,0,0,0,0|3,0,0]=4 593 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,0,0,0,0|2,0,1]=4 594 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|2,0,1]=4 595 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|2,0,1]=4 596 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|2,0,1]=4 597 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|2,0,1]=4 598 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|1,0,2]=4 599 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|2,0,1]=4 600 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|2,0,1]=4 601 B9R0.5 C#CCC(=O)CCCC=C 1458a_100000766728_100000184674 [1,0,0,0,0,0|1,0,2]=4 602 B9R0.5 C#CCC(=O)CCCC=C 1458a_100011220946_100000757094 [1,0,0,0,0,0|1,0,2]=4 603 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [1,0,0,0,0,0|0,0,3]=4 604 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [1,0,0,0,0,0|0,0,3]=4 605 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,0,0,0,0,0|1,0,1]=3 606 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,0,0,0,0,0|1,0,1]=3 607 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [1,0,0,0,0,0|2,0,1]=4 608 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [1,0,0,0,0,0|2,0,1]=4 609 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [1,0,0,0,0,0|2,0,1]=4 610 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [1,0,0,0,0,0|2,0,1]=4 611 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [1,0,0,0,0,0|2,0,1]=4 612 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [1,0,0,0,0,0|2,0,1]=4 613 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [1,0,0,0,0,0|2,0,1]=4 614 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [1,0,0,0,0,0|2,0,1]=4 615 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [1,0,0,0,0,0|2,0,1]=4 616 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [1,0,0,0,0,0|2,0,1]=4 617 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [1,0,0,0,0,0|2,0,1]=4 618 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [1,0,0,0,0,0|2,0,1]=4 619 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [1,0,0,0,0,0|2,0,1]=4 620 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [1,0,0,0,0,0|2,0,1]=4 621 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [1,0,0,0,0,0|0,0,3]=4 622 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [1,0,0,0,0,0|0,0,3]=4 623 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [1,0,0,0,0,0|1,0,2]=4 624 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [1,0,0,0,0,0|1,0,2]=4 625 B9R0.5 C=CCCCC(=O)CC#N 1458a_100000766728_100011214920 [1,0,0,0,0,0|2,0,1]=4 626 B9R0.5 C=CCCCC(=O)CC#N 1458a_100051588842_100000757094 [1,0,0,0,0,0|2,0,1]=4 627 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [1,0,0,0,0,0|1,0,2]=4 628 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [1,0,0,0,0,0|1,0,2]=4 629 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,0,0,0,0,0|1,0,0]=2 630 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,0,0,0,0,0|1,0,0]=2 631 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [1,0,0,0,0,0|2,0,0]=3 632 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [1,0,0,0,0,0|2,0,0]=3 633 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [1,0,0,0,0,0|2,0,0]=3 634 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [1,0,0,0,0,0|2,0,0]=3 635 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [1,0,0,0,0,0|2,0,0]=3 636 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,0,0,0,0,0|2,0,0]=3 637 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,0,0,0,0,0|2,0,0]=3 638 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,0,0,0,0,0|2,0,0]=3 639 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [1,0,0,0,0,0|3,0,0]=4 640 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [1,0,0,0,0,0|3,0,0]=4 641 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [1,0,0,0,0,0|3,0,0]=4 642 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [1,0,0,0,0,0|2,0,0]=3 643 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [1,0,0,0,0,0|2,0,0]=3 644 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [1,0,0,0,0,0|2,0,0]=3 645 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [1,0,0,0,0,0|2,0,0]=3 646 B9R0.5 C=CCCNC(=O)CCO 240690a_100015191253_100011216618 [1,0,0,0,0,0|3,0,0]=4 647 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [1,0,0,0,0,0|3,0,0]=4 648 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [1,0,0,0,0,0|3,0,0]=4 649 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [1,0,0,0,0,0|3,0,0]=4 650 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [1,0,0,0,0,0|3,0,0]=4 651 B9R0.5 C=CCCNC(=O)CSC 11a_100015191253_100000184570 [1,0,0,0,0,0|3,0,0]=4 652 B9R0.5 C=CCCNC(=O)CSC 1626a_100015191253_100000184570 [1,0,0,0,0,0|3,0,0]=4 653 B9R0.5 C=CCCNC(=O)CSC 240690a_100015191253_100000184570 [1,0,0,0,0,0|3,0,0]=4 654 B9R0.5 C=CCCNC(=O)CSC 527a_100015191253_100000184570 [1,0,0,0,0,0|3,0,0]=4 655 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [1,0,0,0,0,0|3,0,0]=4 656 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [1,0,0,0,0,0|3,0,0]=4 657 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [1,0,0,0,0,0|3,0,0]=4 658 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [1,0,0,0,0,0|3,0,0]=4 659 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [1,0,0,0,0,0|3,0,0]=4 660 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [1,0,0,0,0,0|3,0,0]=4 661 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [1,0,0,0,0,0|2,0,0]=3 662 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [1,0,0,0,0,0|3,0,0]=4 663 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [1,0,0,0,0,0|3,0,0]=4 664 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [1,0,0,0,0,0|3,0,0]=4 665 B9R0.5 C=CCNNC(=O)CCC 22a_100020588587_100000211992 [1,0,0,0,0,0|3,0,0]=4 666 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [1,0,0,0,0,0|3,0,0]=4 667 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [1,0,0,0,0,0|3,0,0]=4 668 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [1,0,0,0,0,0|2,0,0]=3 669 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [1,0,0,0,0,0|2,0,0]=3 670 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [1,0,0,0,0,0|2,0,0]=3 671 B9R0.5 C=CCSCC(=O)CCF 1458a_100000230395_100011217306 [1,0,0,0,0,0|3,0,0]=4 672 B9R0.5 C=CCSCC(=O)CCO 1458a_100000230395_100000211926 [1,0,0,0,0,0|3,0,0]=4 673 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [1,0,0,0,0,0|3,0,0]=4 674 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [1,0,0,0,0,0|3,0,0]=4 675 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [1,0,0,0,0,0|3,0,0]=4 676 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [1,0,0,0,0,0|3,0,0]=4 677 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [1,0,0,0,0,0|3,0,0]=4 678 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [1,0,0,0,0,0|3,0,0]=4 679 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [1,0,0,0,0,0|3,0,0]=4 680 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [1,0,0,0,0,0|2,0,0]=3 681 B9R0.5 C=COCCC(=O)CCO 1458a_100011216618_100000039644 [1,0,0,0,0,0|3,0,0]=4 682 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [1,0,0,0,0,0|3,0,0]=4 683 B9R0.5 C=COCCC(=O)CSC 1458a_100000184570_100000039644 [1,0,0,0,0,0|3,0,0]=4 684 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [1,0,0,0,0,0|0,0,3]=4 685 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,0,0,0,0,0|0,0,3]=4 686 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [1,0,0,0,0,0|0,0,3]=4 687 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,0,0,0,0,0|1,0,1]=3 688 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,0,0,0,0,0|1,0,1]=3 689 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,0,0,0,0,0|1,0,1]=3 690 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,0,0,0,0,0|0,0,1]=2 691 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,0,0,0,0,0|0,0,1]=2 692 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,0,0,0,0,0|2,0,0]=3 693 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,0,0,0,0,0|2,0,0]=3 694 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,0,0,0,0,0|2,0,0]=3 695 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [1,0,0,0,0,0|3,0,0]=4 696 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|2,0,1]=4 697 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|2,0,1]=4 698 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,0,0,0,0|2,0,1]=4 699 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,0,0,0,0|2,0,1]=4 700 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,0,0,0,0,0|1,0,1]=3 701 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,0,0,0,0,0|1,0,1]=3 702 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [1,0,0,0,0,0|2,0,1]=4 703 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [1,0,0,0,0,0|2,0,1]=4 704 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [1,0,0,0,0,0|2,0,1]=4 705 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [1,0,0,0,0,0|1,0,0]=2 706 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [1,0,0,0,0,0|1,0,0]=2 707 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,0,0,0,0,0|2,0,1]=4 708 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,0,0,0,0,0|2,0,1]=4 709 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,0,0,0,0,0|1,0,1]=3 710 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,0,0,0,0,0|1,0,1]=3 711 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,0,0,0,0,0|3,0,0]=4 712 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,0,0,0,0,0|3,0,0]=4 713 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,0,0,0,0,0|3,0,0]=4 714 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,0,0,0,0,0|3,0,0]=4 715 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 716 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 717 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 718 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 719 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,0,0,0,0,0|2,0,1]=4 720 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,0,0,0,0,0|2,0,1]=4 721 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,0,0,0,0,0|2,0,1]=4 722 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,0,0,0,0,0|2,0,1]=4 723 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,0,0,0,0,0|1,0,1]=3 724 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,0,0,0,0,0|1,0,1]=3 725 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,0,0,0,0,0|3,0,0]=4 726 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,0,0,0,0,0|3,0,0]=4 727 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,0,0,0,0,0|3,0,0]=4 728 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 729 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 730 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 731 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 732 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [1,0,0,0,0,0|2,0,1]=4 733 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [1,0,0,0,0,0|2,0,1]=4 734 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [1,0,0,0,0,0|2,0,1]=4 735 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [1,0,0,0,0,0|2,0,1]=4 736 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [1,0,0,0,0,0|2,0,1]=4 737 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|1,0,1]=3 738 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|1,0,1]=3 739 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,0,0,0,0|2,0,1]=4 740 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,0,0,0,0|2,0,1]=4 741 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,0,0,0,0|2,0,1]=4 742 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,0,0,0,0|2,0,1]=4 743 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,0,0,0,0|2,0,1]=4 744 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,0,0,0,0|2,0,1]=4 745 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,0,0,0,0|2,0,1]=4 746 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,0,0,0,0|2,0,1]=4 747 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,0,0,0,0|2,0,1]=4 748 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,0,0,0,0|2,0,1]=4 749 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,0,0,0,0|2,0,1]=4 750 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,0,0,0,0|2,0,1]=4 751 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,0,0,0,0|2,0,1]=4 752 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,0,0,0,0|2,0,1]=4 753 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,0,0,0,0|2,0,1]=4 754 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,0,0,0,0|2,0,1]=4 755 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,0,0,0,0|2,0,1]=4 756 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,0,0,0,0|2,0,1]=4 757 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,0,0,0,0|2,0,1]=4 758 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,0,0,0,0|2,0,1]=4 759 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [1,0,0,0,0,0|2,0,0]=3 760 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [1,0,0,0,0,0|2,0,0]=3 761 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,0,0,0,0,0|2,0,1]=4 762 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,0,0,0,0,0|2,0,1]=4 763 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,0,0,0,0,0|2,0,1]=4 764 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,0,0,0,0,0|2,0,1]=4 765 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,0,0,0,0|2,0,1]=4 766 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,0,0,0,0|2,0,1]=4 767 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,0,0,0,0|2,0,1]=4 768 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,0,0,0,0|2,0,1]=4 769 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [1,0,0,0,0,0|2,0,1]=4 770 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 771 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 772 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 773 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,0,0,0,0,0|3,0,0]=4 774 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,0,0,0,0,0|3,0,0]=4 775 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,0,0,0,0,0|3,0,0]=4 776 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,0,0,0,0,0|3,0,0]=4 777 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,0,0,0,0,0|3,0,0]=4 778 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,0,0,0,0,0|3,0,0]=4 779 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [1,0,0,0,0,0|2,0,0]=3 780 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [1,0,0,0,0,0|2,0,1]=4 781 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [1,0,0,0,0,0|2,0,1]=4 782 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [1,0,0,0,0,0|2,0,1]=4 783 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,0,0,0,0,0|2,0,1]=4 784 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [1,0,0,0,0,0|2,0,0]=3 785 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [1,0,0,0,0,0|2,0,0]=3 786 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [1,0,0,0,0,0|2,0,1]=4 787 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [1,0,0,0,0,0|2,0,1]=4 788 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,0,0,0,0,0|2,0,1]=4 789 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,0,0,0,0,0|2,0,1]=4 790 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,0,0,0,0,0|2,0,1]=4 791 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,0,0,0,0,0|2,0,1]=4 792 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,0,0,0,0|3,0,0]=4 793 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,0,0,0,0|3,0,0]=4 794 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,0,0,0,0|3,0,0]=4 795 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,0,0,0,0|3,0,0]=4 796 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,0,0,0,0|3,0,0]=4 797 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,0,0,0,0|3,0,0]=4 798 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,0,0,0,0|3,0,0]=4 799 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,0,0,0,0|3,0,0]=4 800 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,0,0,0,0|3,0,0]=4 801 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,0,0,0,0|3,0,0]=4 802 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,0,0,0,0,0|2,0,1]=4 803 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,0,0,0,0,0|2,0,1]=4 804 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,0,0,0,0,0|2,0,0]=3 805 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,0,0,0,0,0|2,0,0]=3 806 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,0,0,0,0,0|2,0,1]=4 807 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,0,0,0,0,0|2,0,1]=4 808 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [1,0,0,0,0,0|3,0,0]=4 809 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [1,0,0,0,0,0|3,0,0]=4 810 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [1,0,0,0,0,0|2,0,1]=4 811 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,0,0,0,0,0|2,0,1]=4 812 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,0,0,0,0,0|1,0,1]=3 813 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [1,0,0,0,0,0|2,0,1]=4 814 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [1,0,0,0,0,0|2,0,1]=4 815 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,0,0,0,0,0|3,0,0]=4 816 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,0,0,0,0,0|3,0,0]=4 817 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,0,0,0,0,0|3,0,0]=4 818 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,0,0,0,0,0|3,0,0]=4 819 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,0,0,0,0,0|3,0,0]=4 820 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [1,0,0,0,0,0|2,0,1]=4 821 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,0,0,0,0,0|2,0,1]=4 822 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,0,0,0,0,0|1,0,1]=3 823 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [1,0,0,0,0,0|2,0,1]=4 824 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [1,0,0,0,0,0|2,0,1]=4 825 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,0,0,0,0,0|3,0,0]=4 826 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,0,0,0,0,0|3,0,0]=4 827 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [1,0,0,0,0,0|1,0,2]=4 828 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [1,0,0,0,0,0|1,0,2]=4 829 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [1,0,0,0,0,0|2,0,1]=4 830 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [1,0,0,0,0,0|2,0,1]=4 831 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [1,0,0,0,0,0|2,0,1]=4 832 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,0,0,0,0,0|1,0,1]=3 833 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [1,0,0,0,0,0|2,0,1]=4 834 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,0,0,0,0,0|2,0,1]=4 835 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,0,0,0,0,0|1,0,1]=3 836 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,0,0,0,0,0|1,0,1]=3 837 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [1,0,0,0,0,0|2,0,1]=4 838 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,0,0,0,0,0|2,0,1]=4 839 B9R0.5 O=CCSCC(=O)NCO 62a_100000185155_200015260668 [1,0,0,0,0,0|3,0,0]=4 840 B9R0.5 O=CCSCC(=O)NCO 62a_200015260668_100000185155 [1,0,0,0,0,0|3,0,0]=4 841 B11R0.1 C=C(C)CN(C)CC(=O)CCC 2230a_100000225649_100000747444 [0,1,0,0,0,0|3,0,0]=4 842 B11R0.1 C=C(C)CN(C)CC(=O)CCC 269982a_100000225649_100000747444 [0,1,0,0,0,0|3,0,0]=4 843 B11R0.1 C=C(CCC)CC(=O)CC(=O)N 1458a_100000138376_100000187820 [0,1,0,0,0,0|2,0,1]=4 844 B11R0.1 C=C(CCC)CC(=O)CC(=O)[O-] 1458a_100000138376_100020667443 [0,1,0,0,0,0|1,0,2]=4 845 B11R0.1 CCCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747444 [0,1,0,0,0,0|1,0,1]=3 846 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,0,0|1,0,2]=4 847 B11R0.1 CCCC(=O)CC(=O)NC(=O)C 1458a_100000211992_100000183797 [0,1,0,0,0,0|2,0,1]=4 848 B11R0.1 CCCC(=O)CC(=O)NC(=O)N 1458a_100000211992_100000182717 [0,1,0,0,0,0|2,0,1]=4 849 B11R0.1 CCCC(=O)CN(C)CC(=O)N 2230a_100000739694_100000747444 [0,1,0,0,0,0|2,0,0]=3 850 B11R0.1 CCCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747444 [0,1,0,0,0,0|1,0,0]=2 851 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,1,0,0,0,0|2,0,1]=4 852 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,1,0,0,0,0|2,0,1]=4 853 B11R0.1 CCCC(C)CN(C)CC(=O)O 269956a_100000746989_100011216630 [0,1,0,0,0,0|2,0,1]=4 854 B11R0.1 CCCS(=O)CC(=O)CC(=O)N 1458a_100011387404_100000187820 [0,1,0,0,0,0|2,0,1]=4 855 B11R0.1 CCCS(=O)CC(=O)CC(=O)[O-] 1458a_100011387404_100020667443 [0,1,0,0,0,0|1,0,2]=4 856 B11R0.1 CCNC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000183381 [0,1,0,0,0,0|2,0,1]=4 857 B11R0.1 CCNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000183381 [0,1,0,0,0,0|3,0,0]=4 858 B11R0.1 CCNC(=O)CN(C)CC(=O)N 2230a_100000741943_100000747473 [0,1,0,0,0,0|3,0,0]=4 859 B11R0.1 CCNC(=O)CN(C)CC(=O)N 269982a_100000741943_100000187820 [0,1,0,0,0,0|3,0,0]=4 860 B11R0.1 CCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183381 [0,1,0,0,0,0|2,0,0]=3 861 B11R0.1 CCNC(=O)CN(C)CC(=O)[O-] 269982a_100000741943_100020667443 [0,1,0,0,0,0|2,0,1]=4 862 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100000243816_100000187820 [0,1,0,0,0,0|2,0,1]=4 863 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000188475 [0,1,0,0,0,0|2,0,1]=4 864 B11R0.1 CCOC(=O)CC(=O)CC(=O)[O-] 1458a_100000243816_100020667443 [0,1,0,0,0,0|1,0,2]=4 865 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,1,0,0,0,0|3,0,0]=4 866 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000220588_100000747473 [0,1,0,0,0,0|3,0,0]=4 867 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000739694_100000188475 [0,1,0,0,0,0|3,0,0]=4 868 B11R0.1 CCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000188475 [0,1,0,0,0,0|2,0,0]=3 869 B11R0.1 CN(CC(=O)O)CC(=O)NCO 269956a_100000746989_100000185155 [0,1,0,0,0,0|3,0,0]=4 870 B11R0.6 C=C(C)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000748629 [0,1,0,0,0,0|1,0,2]=4 871 B11R0.6 C=C(C)CC(=O)CCNC(=O)C 1458a_100000183196_100000748629 [0,1,0,0,0,0|2,0,1]=4 872 B11R0.6 C=C(C)CC(=O)CCNC(=O)N 1458a_100000181464_100000748629 [0,1,0,0,0,0|2,0,1]=4 873 B11R0.6 C=C(C)CC(=O)CCSC(=O)C 1458a_100000048949_100000748629 [0,1,0,0,0,0|2,0,1]=4 874 B11R0.6 C=C(C)CC(=O)COCC(=O)N 1458a_100011219004_100000748629 [0,1,0,0,0,0|2,0,1]=4 875 B11R0.6 C=C(C)CN(C)CCCC(=O)O 269956a_100000719178_100000748629 [0,1,0,0,0,0|2,0,1]=4 876 B11R0.6 CC(=CC(=O)CCCC(=O)N)C 1458a_100000211388_100102525003 [0,1,0,0,0,0|1,0,2]=4 877 B11R0.6 CC(=CC(=O)CCCC(=O)N)Cl 1458a_200042562850_100102525003 [0,1,0,0,0,0|1,0,2]=4 878 B11R0.6 CC(=CC(=O)CCCC(=O)N)I 1458a_100025716642_100102525003 [0,1,0,0,0,0|1,0,2]=4 879 B11R0.6 CC(=CCCC(=O)CC(C)C)C 1458a_100000210554_100011217483 [0,1,0,0,0,0|2,0,1]=4 880 B11R0.6 CC(=CCCC(=O)C[C@@H](C)O)C 1458a_100011933948_100011217483 [0,1,0,0,0,0|2,0,1]=4 881 B11R0.6 CC(=O)CCCC(=O)C=C(C)C 1458a_100000211388_100011215641 [0,1,0,0,0,0|1,0,2]=4 882 B11R0.6 CC(=O)CCCC(=O)C=C(C)Cl 1458a_200042562850_100011215641 [0,1,0,0,0,0|1,0,2]=4 883 B11R0.6 CC(=O)CCCC(=O)C=C(C)I 1458a_100025716642_100011215641 [0,1,0,0,0,0|1,0,2]=4 884 B11R0.6 CC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100011215641 [0,1,0,0,0,0|2,0,1]=4 885 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,1,0,0,0,0|1,0,0]=2 886 B11R0.6 CC(=O)CCCC(=O)CN(C)C 1458a_100000750896_100011215641 [0,1,0,0,0,0|2,0,0]=3 887 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,1,0,0,0,0|1,0,0]=2 888 B11R0.6 CC(=O)CCCC(=O)C[S+](C)C 1458a_200159257847_100011215641 [0,1,0,0,0,0|2,0,0]=3 889 B11R0.6 CC(=O)CCCN(C)CC(C)C 269982a_100000747067_100011215641 [0,1,0,0,0,0|3,0,0]=4 890 B11R0.6 CC(=O)CCCN(C)CC(C)O 269982a_100000227577_100011215641 [0,1,0,0,0,0|3,0,0]=4 891 B11R0.6 CC(=O)CCOC(=O)CC(=O)C 1458a_100000070787_100000102702 [0,1,0,0,0,0|2,0,1]=4 892 B11R0.6 CC(=O)COCC(=O)NC(C)C 34a_100000211253_100000183996 [0,1,0,0,0,0|3,0,0]=4 893 B11R0.6 CC(=O)COCC(=O)OC(C)C 34a_100000211253_100011215430 [0,1,0,0,0,0|3,0,0]=4 894 B11R0.6 CC(=O)NC(=O)CNCC(=O)O 269956a_100016091260_100000183797 [0,1,0,0,0,0|2,0,1]=4 895 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000183196_100000210624 [0,1,0,0,0,0|2,0,0]=3 896 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000210554_100000189650 [0,1,0,0,0,0|2,0,0]=3 897 B11R0.6 CC(=O)NCCC(=O)CC(C)O 1458a_100000183196_100011218427 [0,1,0,0,0,0|2,0,0]=3 898 B11R0.6 CC(=O)NCCC(=O)CC(F)F 1458a_100000183196_100011934356 [0,1,0,0,0,0|3,0,0]=4 899 B11R0.6 CC(=O)NCCC(=O)CN(C)C 1458a_100000750896_100000189650 [0,1,0,0,0,0|3,0,0]=4 900 B11R0.6 CC(=O)NCCC(=O)C[C@@H](C)O 1458a_100011933948_100000189650 [0,1,0,0,0,0|2,0,0]=3 901 B11R0.6 CC(=O)NCCC(=O)C[S+](C)C 1458a_200159257847_100000189650 [0,1,0,0,0,0|3,0,0]=4 902 B11R0.6 CC(=O)NCCC(=O)NC(C)C 11a_100138425928_100000183196 [0,1,0,0,0,0|3,0,0]=4 903 B11R0.6 CC(=O)NCCC(=O)NC(C)C 1626a_100138425928_100000183196 [0,1,0,0,0,0|3,0,0]=4 904 B11R0.6 CC(=O)NCCC(=O)NC(C)C 240690a_100138425928_100000183196 [0,1,0,0,0,0|3,0,0]=4 905 B11R0.6 CC(=O)NCCC(=O)NC(C)C 527a_100138425928_100000183196 [0,1,0,0,0,0|3,0,0]=4 906 B11R0.6 CC(=O)OCCC(=O)CC(C)C 1458a_100000210554_100009814007 [0,1,0,0,0,0|2,0,0]=3 907 B11R0.6 CC(=O)OCCC(=O)CN(C)C 1458a_100000750896_100009814007 [0,1,0,0,0,0|3,0,0]=4 908 B11R0.6 CC(=O)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100009814007 [0,1,0,0,0,0|2,0,0]=3 909 B11R0.6 CC(=O)OCCC(=O)C[S+](C)C 1458a_200159257847_100009814007 [0,1,0,0,0,0|3,0,0]=4 910 B11R0.6 CC(=O)SCCC(=O)CC(C)C 1458a_100000048949_100000210624 [0,1,0,0,0,0|2,0,0]=3 911 B11R0.6 CC(=O)SCCC(=O)CC(C)O 1458a_100000048949_100011218427 [0,1,0,0,0,0|2,0,0]=3 912 B11R0.6 CC(=O)SCCC(=O)CC(F)F 1458a_100000048949_100011934356 [0,1,0,0,0,0|3,0,0]=4 913 B11R0.6 CC(=O)SCCC(=O)NC(C)C 1626a_100138425928_100000048949 [0,1,0,0,0,0|3,0,0]=4 914 B11R0.6 CC(=O)SCCC(=O)NC(C)C 240690a_100138425928_100000048949 [0,1,0,0,0,0|3,0,0]=4 915 B11R0.6 CC(C)CC(=O)CCC=C(F)F 1458a_100000210554_200009816681 [0,1,0,0,0,0|2,0,1]=4 916 B11R0.6 CC(C)CC(=O)CCCC(=O)N 1458a_100000210554_100102525003 [0,1,0,0,0,0|1,0,0]=2 917 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,1,0,0,0,0|1,0,1]=3 918 B11R0.6 CC(C)CC(=O)CCCN(C)C 1458a_100000210554_100000695564 [0,1,0,0,0,0|3,0,0]=4 919 B11R0.6 CC(C)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210624 [0,1,0,0,0,0|1,0,1]=3 920 B11R0.6 CC(C)CC(=O)CCN=C(N)N 1458a_100000033030_100000210624 [0,1,0,0,0,0|3,0,0]=4 921 B11R0.6 CC(C)CC(=O)CCNC(=O)N 1458a_100000181464_100000210624 [0,1,0,0,0,0|2,0,0]=3 922 B11R0.6 CC(C)CC(=O)CCNC(=O)N 1458a_100000210554_200000034859 [0,1,0,0,0,0|2,0,0]=3 923 B11R0.6 CC(C)CC(=O)CCOC(=O)N 1458a_100000210554_200011214921 [0,1,0,0,0,0|2,0,0]=3 924 B11R0.6 CC(C)CC(=O)COCC(=O)N 1458a_100011219004_100000210624 [0,1,0,0,0,0|2,0,0]=3 925 B11R0.6 CC(C)CC(=O)NCCC(=O)N 11a_100000740010_100000210554 [0,1,0,0,0,0|2,0,0]=3 926 B11R0.6 CC(C)CC(=O)NCCC(=O)N 240690a_100000740010_100000210554 [0,1,0,0,0,0|2,0,0]=3 927 B11R0.6 CC(C)CC(=O)NCCC(=O)N 527a_100000740010_100000210554 [0,1,0,0,0,0|2,0,0]=3 928 B11R0.6 CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000210554 [0,1,0,0,0,0|2,0,1]=4 929 B11R0.6 CC(C)CC(=O)NCCC(C)O 527a_200000755665_100000210554 [0,1,0,0,0,0|2,0,1]=4 930 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,1,0,0,0,0|2,0,1]=4 931 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,1,0,0,0,0|2,0,1]=4 932 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,1,0,0,0,0|2,0,1]=4 933 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,1,0,0,0,0|2,0,1]=4 934 B11R0.6 CC(C)CN(C)CCCC(=O)N 269982a_100000747067_100102525003 [0,1,0,0,0,0|3,0,0]=4 935 B11R0.6 CC(C)CN(C)CCCC(=O)O 269956a_100000719178_100000210760 [0,1,0,0,0,0|2,0,0]=3 936 B11R0.6 CC(C)NC(=O)CCC[N+](=O)[O-] 11a_100138425928_100016109205 [0,1,0,0,0,0|2,0,1]=4 937 B11R0.6 CC(C)NC(=O)CCC[N+](=O)[O-] 1626a_100138425928_100016109205 [0,1,0,0,0,0|2,0,1]=4 938 B11R0.6 CC(C)NC(=O)CCC[N+](=O)[O-] 240690a_100138425928_100016109205 [0,1,0,0,0,0|2,0,1]=4 939 B11R0.6 CC(C)NC(=O)CCC[N+](=O)[O-] 527a_100138425928_100016109205 [0,1,0,0,0,0|2,0,1]=4 940 B11R0.6 CC(C)NC(=O)CCNC(=O)N 240690a_100138425928_100000181464 [0,1,0,0,0,0|3,0,0]=4 941 B11R0.6 CC(C)NC(=O)CCNC(=O)N 527a_100138425928_100000181464 [0,1,0,0,0,0|3,0,0]=4 942 B11R0.6 CC(C)NC(=O)CNCC(=O)N 2230a_100000168517_100000747473 [0,1,0,0,0,0|3,0,0]=4 943 B11R0.6 CC(C)NC(=O)CNCC(=O)N 2230a_100000711301_100000183996 [0,1,0,0,0,0|3,0,0]=4 944 B11R0.6 CC(C)NC(=O)CNCC(=O)O 269956a_100016091260_100000183996 [0,1,0,0,0,0|2,0,0]=3 945 B11R0.6 CC(C)NC(=O)COCC(=O)N 1626a_100138425928_100011219004 [0,1,0,0,0,0|3,0,0]=4 946 B11R0.6 CC(C)NC(=O)COCC(=O)N 240690a_100138425928_100011219004 [0,1,0,0,0,0|3,0,0]=4 947 B11R0.6 CC(C)NC(=O)COCC(=O)N 527a_100138425928_100011219004 [0,1,0,0,0,0|3,0,0]=4 948 B11R0.6 CC(C)NC(=O)CSCC(=O)N 11a_100138425928_100000150265 [0,1,0,0,0,0|3,0,0]=4 949 B11R0.6 CC(C)NC(=O)CSCC(=O)N 240690a_100138425928_100000150265 [0,1,0,0,0,0|3,0,0]=4 950 B11R0.6 CC(C)NC(=O)CSCC(=O)N 527a_100138425928_100000150265 [0,1,0,0,0,0|3,0,0]=4 951 B11R0.6 CC(C)NC(=O)CSCC(=O)N 62a_100000183996_100000747473 [0,1,0,0,0,0|3,0,0]=4 952 B11R0.6 CC(C)NC(=O)CSCC(=O)N 62a_100000747473_100000183996 [0,1,0,0,0,0|3,0,0]=4 953 B11R0.6 CC(C)NC(=O)CSCC(=O)[O-] 62a_100000183996_100020667443 [0,1,0,0,0,0|2,0,1]=4 954 B11R0.6 CC(C)NC(=O)CSCC(=O)[O-] 62a_100020667443_100000183996 [0,1,0,0,0,0|2,0,1]=4 955 B11R0.6 CC(C)NC(=O)NCCC(=O)N 2708a_100138425928_100000740010 [0,1,0,0,0,0|3,0,0]=4 956 B11R0.6 CC(C)NC(=O)NCCC(=O)N 273464a_100138425928_100000740010 [0,1,0,0,0,0|3,0,0]=4 957 B11R0.6 CC(C)NC(=O)NCCC(=O)N 512a_100138425928_100000740010 [0,1,0,0,0,0|3,0,0]=4 958 B11R0.6 CC(C)OC(=O)CNCC(=O)N 2230a_100000711301_100011215430 [0,1,0,0,0,0|3,0,0]=4 959 B11R0.6 CC(C)OC(=O)CNCC(=O)O 269956a_100016091260_100011215430 [0,1,0,0,0,0|2,0,0]=3 960 B11R0.6 CC(C)OC(=O)CSCC(=O)N 62a_100000747473_100011215430 [0,1,0,0,0,0|3,0,0]=4 961 B11R0.6 CC(C)OC(=O)CSCC(=O)N 62a_100011215430_100000747473 [0,1,0,0,0,0|3,0,0]=4 962 B11R0.6 CC(C)OC(=O)CSCC(=O)[O-] 62a_100011215430_100020667443 [0,1,0,0,0,0|2,0,1]=4 963 B11R0.6 CC(C)OC(=O)CSCC(=O)[O-] 62a_100020667443_100011215430 [0,1,0,0,0,0|2,0,1]=4 964 B11R0.6 CC(O)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011218427 [0,1,0,0,0,0|1,0,1]=3 965 B11R0.6 CC(O)CC(=O)CCN=C(N)N 1458a_100000033030_100011218427 [0,1,0,0,0,0|3,0,0]=4 966 B11R0.6 CC(O)CC(=O)CCNC(=O)N 1458a_100000181464_100011218427 [0,1,0,0,0,0|2,0,0]=3 967 B11R0.6 CC(O)CC(=O)COCC(=O)N 1458a_100011219004_100011218427 [0,1,0,0,0,0|2,0,0]=3 968 B11R0.6 CC(O)CCCC(=O)CN(C)C 1458a_100000750896_200000718107 [0,1,0,0,0,0|2,0,1]=4 969 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,1,0,0,0,0|1,0,1]=3 970 B11R0.6 CC(O)CCCC(=O)C[S+](C)C 1458a_200159257847_200000718107 [0,1,0,0,0,0|2,0,1]=4 971 B11R0.6 CC(O)CCCC(=O)NC(C)C 1626a_100138425928_100000761597 [0,1,0,0,0,0|2,0,1]=4 972 B11R0.6 CC(O)CCCC(=O)NC(C)C 527a_100138425928_100000761597 [0,1,0,0,0,0|2,0,1]=4 973 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O 240690a_200000755665_100011933948 [0,1,0,0,0,0|2,0,1]=4 974 B11R0.6 CC(O)CN(C)CCCC(=O)N 269982a_100000227577_100102525003 [0,1,0,0,0,0|3,0,0]=4 975 B11R0.6 CC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011218427 [0,1,0,0,0,0|2,0,0]=3 976 B11R0.6 CN(C)CC(=O)CCCC(=O)N 1458a_100000750896_100102525003 [0,1,0,0,0,0|2,0,0]=3 977 B11R0.6 CN(C)CC(=O)CCNC(=O)N 1458a_100000750896_200000034859 [0,1,0,0,0,0|3,0,0]=4 978 B11R0.6 CN(C)CC(=O)CCOC(=O)N 1458a_100000750896_200011214921 [0,1,0,0,0,0|3,0,0]=4 979 B11R0.6 CN(C)CC(=O)NCCC(=O)N 11a_100000740010_100000750896 [0,1,0,0,0,0|3,0,0]=4 980 B11R0.6 CN(C)CC(=O)NCCC(=O)N 240690a_100000740010_100000750896 [0,1,0,0,0,0|3,0,0]=4 981 B11R0.6 CN(C)CC(=O)NCCC(=O)N 527a_100000740010_100000750896 [0,1,0,0,0,0|3,0,0]=4 982 B11R0.6 CN(CCCC(=O)O)CC(F)F 269956a_100000719178_100011934356 [0,1,0,0,0,0|3,0,0]=4 983 B11R0.6 C[C@@H](O)CC(=O)CCC=C(F)F 1458a_100011933948_200009816681 [0,1,0,0,0,0|2,0,1]=4 984 B11R0.6 C[C@@H](O)CC(=O)CCCC(=O)N 1458a_100011933948_100102525003 [0,1,0,0,0,0|1,0,0]=2 985 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,1,0,0,0,0|3,0,0]=4 986 B11R0.6 C[C@@H](O)CC(=O)CCNC(=O)N 1458a_100011933948_200000034859 [0,1,0,0,0,0|2,0,0]=3 987 B11R0.6 C[C@@H](O)CC(=O)CCOC(=O)N 1458a_100011933948_200011214921 [0,1,0,0,0,0|2,0,0]=3 988 B11R0.6 C[C@@H](O)CC(=O)NCCC(=O)N 240690a_100000740010_100011933948 [0,1,0,0,0,0|2,0,0]=3 989 B11R0.6 C[C@@H](O)CN(C)CCCC(=O)O 269956a_100000719178_100009817552 [0,1,0,0,0,0|2,0,0]=3 990 B11R0.6 C[S+](C)CC(=O)CCCC(=O)N 1458a_200159257847_100102525003 [0,1,0,0,0,0|2,0,0]=3 991 B11R0.6 C[S+](C)CC(=O)CCNC(=O)N 1458a_200159257847_200000034859 [0,1,0,0,0,0|3,0,0]=4 992 B11R0.6 C[S+](C)CC(=O)CCOC(=O)N 1458a_200159257847_200011214921 [0,1,0,0,0,0|3,0,0]=4 993 B11R0.6 C[S+](C)CC(=O)NCCC(=O)N 11a_100000740010_200159257847 [0,1,0,0,0,0|3,0,0]=4 994 B11R0.6 C[S+](C)CC(=O)NCCC(=O)N 240690a_100000740010_200159257847 [0,1,0,0,0,0|3,0,0]=4 995 B11R0.6 C[S+](C)CC(=O)NCCC(=O)N 527a_100000740010_200159257847 [0,1,0,0,0,0|3,0,0]=4 996 B11R0.6 NC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100102525003 [0,1,0,0,0,0|2,0,1]=4 997 B11R0.6 NC(=O)COCC(=O)CC(F)F 1458a_100011219004_100011934356 [0,1,0,0,0,0|3,0,0]=4 998 B11R0.6 NC(=O)NCCC(=O)CC(F)F 1458a_100000181464_100011934356 [0,1,0,0,0,0|3,0,0]=4 999 B11R0.6 O=C(CCC[N+](=O)[O-])CC(F)F 1458a_100016109205_100011934356 [0,1,0,0,0,0|2,0,1]=4 1000 B11R0.45 CCCN(CC)CCCC(=O)C 269982a_100000226822_100011215641 [0,1,0,0,0,0|3,0,0]=4 1001 B11R0.45 CCCN(CC)CCCC(=O)N 269982a_100000226822_100102525003 [0,1,0,0,0,0|3,0,0]=4 1002 B11R0.59 CC(=O)SC[C@@H](C)C(=O)CCF 1458a_200015407212_100011217306 [0,1,0,0,0,0|3,0,0]=4 1003 B11R0.59 CC(=O)SC[C@@H](C)C(=O)CCO 1458a_200015407212_100000211926 [0,1,0,0,0,0|3,0,0]=4 1004 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [0,1,0,0,0,0|2,0,1]=4 1005 B11R0.59 CCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000211992 [0,1,0,0,0,0|2,0,0]=3 1006 B11R0.59 CCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000211992 [0,1,0,0,0,0|2,0,0]=3 1007 B11R0.59 CCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000211992 [0,1,0,0,0,0|2,0,0]=3 1008 B11R0.59 CCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210303 [0,1,0,0,0,0|2,0,0]=3 1009 B11R0.59 CCNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000230173 [0,1,0,0,0,0|3,0,0]=4 1010 B11R0.59 CCNC(=O)C(C)NCC(=O)N 2230a_100000736553_100000747473 [0,1,0,0,0,0|3,0,0]=4 1011 B11R0.59 CCNC(=O)C(C)NCC(=O)N 34a_100000736553_100000187820 [0,1,0,0,0,0|3,0,0]=4 1012 B11R0.59 CCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000230173 [0,1,0,0,0,0|2,0,0]=3 1013 B11R0.59 CCNC(=O)C(C)NCC(=O)[O-] 34a_100000736553_100020667443 [0,1,0,0,0,0|2,0,1]=4 1014 B11R0.59 CCNC(=O)C(C)OCC(=O)C 34a_100000211253_100000230173 [0,1,0,0,0,0|3,0,0]=4 1015 B11R0.59 CCNC(=O)C(C)SCC(=O)N 62a_100000230173_100000747473 [0,1,0,0,0,0|3,0,0]=4 1016 B11R0.59 CCNC(=O)C(C)SCC(=O)N 62a_100000747473_100000230173 [0,1,0,0,0,0|3,0,0]=4 1017 B11R0.59 CCNC(=O)C(C)SCC(=O)[O-] 62a_100000230173_100020667443 [0,1,0,0,0,0|2,0,1]=4 1018 B11R0.59 CCNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000230173 [0,1,0,0,0,0|2,0,1]=4 1019 B11R0.59 CCNC(=O)N(C)CCC(=O)N 2708a_100015525214_100000730477 [0,1,0,0,0,0|3,0,0]=4 1020 B11R0.59 CCNC(=O)N(C)CCC(=O)N 273464a_100015525214_100000730477 [0,1,0,0,0,0|3,0,0]=4 1021 B11R0.59 CCNC(=O)[C@H](C)CSC(=O)C 11a_100015525214_200015407212 [0,1,0,0,0,0|3,0,0]=4 1022 B11R0.59 CCNC(=O)[C@H](C)CSC(=O)C 240690a_100015525214_200015407212 [0,1,0,0,0,0|3,0,0]=4 1023 B11R0.59 CCNC(=O)[C@H](C)CSC(=O)C 527a_100015525214_200015407212 [0,1,0,0,0,0|3,0,0]=4 1024 B11R0.59 CCOC(=O)C(C)NCC(=O)N 2230a_100000711301_100011215307 [0,1,0,0,0,0|3,0,0]=4 1025 B11R0.59 CCOC(=O)C(C)OCC(=O)C 34a_100000211253_100011216346 [0,1,0,0,0,0|3,0,0]=4 1026 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100000747473_100011216346 [0,1,0,0,0,0|3,0,0]=4 1027 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100011216346_100000747473 [0,1,0,0,0,0|3,0,0]=4 1028 B11R0.59 CCOC(=O)C(C)SCC(=O)[O-] 62a_100011216346_100020667443 [0,1,0,0,0,0|2,0,1]=4 1029 B11R0.59 CCOC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100011216346 [0,1,0,0,0,0|2,0,1]=4 1030 B11R0.59 CCOC(=O)C(F)NCC(=O)N 2230a_100000711301_100000760018 [0,1,0,0,0,0|3,0,0]=4 1031 B11R0.59 CCOC(=O)C(F)OCC(=O)C 34a_100000211253_100000760018 [0,1,0,0,0,0|3,0,0]=4 1032 B11R0.59 CCOC(=O)C(F)SCC(=O)N 62a_100000747473_100000760018 [0,1,0,0,0,0|3,0,0]=4 1033 B11R0.59 CCOC(=O)C(F)SCC(=O)N 62a_100000760018_100000747473 [0,1,0,0,0,0|3,0,0]=4 1034 B11R0.59 CCOC(=O)C(F)SCC(=O)[O-] 62a_100000760018_100020667443 [0,1,0,0,0,0|2,0,1]=4 1035 B11R0.59 CCOC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100000760018 [0,1,0,0,0,0|2,0,1]=4 1036 B11R0.59 CCOC(=O)[C@H](C)OCC(=O)N 7a_100000751109_100000187820 [0,1,0,0,0,0|3,0,0]=4 1037 B11R0.59 CCSC(=O)[C@H](C)NCC(=O)N 2230a_100103168634_100000747473 [0,1,0,0,0,0|3,0,0]=4 1038 B11R0.59 CN(CCC(=O)N)C(=O)CCO 240690a_100000730477_100011216618 [0,1,0,0,0,0|3,0,0]=4 1039 B11R0.59 COCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210968 [0,1,0,0,0,0|3,0,0]=4 1040 B11R0.59 COCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210968 [0,1,0,0,0,0|3,0,0]=4 1041 B11R0.59 COCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210968 [0,1,0,0,0,0|3,0,0]=4 1042 B11R0.59 CSCC(=O)N(C)CCC(=O)N 11a_100000730477_100000184570 [0,1,0,0,0,0|3,0,0]=4 1043 B11R0.59 CSCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000184570 [0,1,0,0,0,0|3,0,0]=4 1044 B11R0.59 CSCC(=O)N(C)CCC(=O)N 527a_100000730477_100000184570 [0,1,0,0,0,0|3,0,0]=4 1045 B11R0.104 CCCS(=O)(=O)NCCC(=O)N 270084a_100000740010_100000211391 [0,1,0,0,0,0|3,0,0]=4 1046 B11R0.104 CCCS(=O)(=O)NCCC(=O)N 274078a_100000740010_100000211391 [0,1,0,0,0,0|3,0,0]=4 1047 B11R0.104 CCCS(=O)(=O)NCCC(=O)N 40a_100000740010_100000054278 [0,1,0,0,0,0|3,0,0]=4 1048 B11R0.141 CC(=O)N(C)CCC(=O)CCF 1458a_100011216537_100011217306 [0,1,0,0,0,0|3,0,0]=4 1049 B11R0.141 CC(=O)N(C)CCC(=O)CCO 1458a_100011216537_100000211926 [0,1,0,0,0,0|3,0,0]=4 1050 B11R0.141 CCCC(=O)CCC(=C(F)F)F 1458a_100000211992_100009813398 [0,1,0,0,0,0|2,0,1]=4 1051 B11R0.141 CCCC(=O)CCC(=C(F)F)F 1458a_200000036841_100000210303 [0,1,0,0,0,0|2,0,1]=4 1052 B11R0.141 CCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210303 [0,1,0,0,0,0|2,0,0]=3 1053 B11R0.141 CCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747444 [0,1,0,0,0,0|1,0,0]=2 1054 B11R0.141 CCCC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747444 [0,1,0,0,0,0|2,0,0]=3 1055 B11R0.141 CCCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747444 [0,1,0,0,0,0|1,0,1]=3 1056 B11R0.141 CCCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747444 [0,1,0,0,0,0|2,0,0]=3 1057 B11R0.141 CCCC(=O)CSC(C)C(=O)C 62a_100000747444_100009814033 [0,1,0,0,0,0|2,0,0]=3 1058 B11R0.141 CCCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747444 [0,1,0,0,0,0|2,0,0]=3 1059 B11R0.141 CCCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747444 [0,1,0,0,0,0|2,0,0]=3 1060 B11R0.141 CCCC(=O)CSC(C)C(=O)N 62a_100000747444_100000702099 [0,1,0,0,0,0|2,0,0]=3 1061 B11R0.141 CCCC(=O)CSC(F)C(=O)N 62a_100000747444_100009813875 [0,1,0,0,0,0|2,0,0]=3 1062 B11R0.141 CCCC(=O)CSC(F)C(=O)N 62a_100009813875_100000747444 [0,1,0,0,0,0|2,0,0]=3 1063 B11R0.141 CCCC(=O)CSC(F)C(=O)[O-] 62a_100000747444_100020610796 [0,1,0,0,0,0|1,0,1]=3 1064 B11R0.141 CCCC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747444 [0,1,0,0,0,0|1,0,1]=3 1065 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216630 [0,1,0,0,0,0|2,0,1]=4 1066 B11R0.141 CCCC(C)NCC(C)C(=O)O 269956a_100000749485_100000766640 [0,1,0,0,0,0|2,0,1]=4 1067 B11R0.141 CCCC(C)NCC(F)C(=O)O 269956a_100000084737_100000766640 [0,1,0,0,0,0|2,0,1]=4 1068 B11R0.141 CCNC(=O)CCN(C)C(=O)C 11a_100015525214_100011216537 [0,1,0,0,0,0|3,0,0]=4 1069 B11R0.141 CCNC(=O)CCN(C)C(=O)C 240690a_100015525214_100011216537 [0,1,0,0,0,0|3,0,0]=4 1070 B11R0.141 CCNC(=O)CNC(C)C(=O)C 2230a_100016988866_100009814033 [0,1,0,0,0,0|3,0,0]=4 1071 B11R0.141 CCNC(=O)CNC(C)C(=O)N 2230a_100016988866_100000702099 [0,1,0,0,0,0|3,0,0]=4 1072 B11R0.141 CCNC(=O)CNC(F)C(=O)N 2230a_100016988866_100009813875 [0,1,0,0,0,0|3,0,0]=4 1073 B11R0.141 CCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183381 [0,1,0,0,0,0|2,0,0]=3 1074 B11R0.141 CCNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183381 [0,1,0,0,0,0|3,0,0]=4 1075 B11R0.141 CCNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183381 [0,1,0,0,0,0|3,0,0]=4 1076 B11R0.141 CCNC(=O)COC(C)C(=O)C 34a_100000212229_100000183381 [0,1,0,0,0,0|3,0,0]=4 1077 B11R0.141 CCNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183381 [0,1,0,0,0,0|2,0,1]=4 1078 B11R0.141 CCNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183381 [0,1,0,0,0,0|3,0,0]=4 1079 B11R0.141 CCNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183381 [0,1,0,0,0,0|3,0,0]=4 1080 B11R0.141 CCNC(=O)CSC(C)C(=O)C 62a_100000183381_100009814033 [0,1,0,0,0,0|3,0,0]=4 1081 B11R0.141 CCNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183381 [0,1,0,0,0,0|3,0,0]=4 1082 B11R0.141 CCNC(=O)CSC(C)C(=O)N 62a_100000183381_100000702099 [0,1,0,0,0,0|3,0,0]=4 1083 B11R0.141 CCNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183381 [0,1,0,0,0,0|3,0,0]=4 1084 B11R0.141 CCNC(=O)CSC(F)C(=O)N 62a_100000183381_100009813875 [0,1,0,0,0,0|3,0,0]=4 1085 B11R0.141 CCNC(=O)CSC(F)C(=O)N 62a_100009813875_100000183381 [0,1,0,0,0,0|3,0,0]=4 1086 B11R0.141 CCNC(=O)CSC(F)C(=O)[O-] 62a_100000183381_100020610796 [0,1,0,0,0,0|2,0,1]=4 1087 B11R0.141 CCNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000183381 [0,1,0,0,0,0|2,0,1]=4 1088 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,1,0,0,0,0|2,0,0]=3 1089 B11R0.141 CCOC(=O)CCN(C)C(=O)C 11a_100000745921_100015343762 [0,1,0,0,0,0|3,0,0]=4 1090 B11R0.141 CCOC(=O)CCN(C)C(=O)C 1626a_100000745921_100015343762 [0,1,0,0,0,0|3,0,0]=4 1091 B11R0.141 CCOC(=O)CCN(C)C(=O)C 240690a_100000745921_100015343762 [0,1,0,0,0,0|3,0,0]=4 1092 B11R0.141 CCOC(=O)CCN(C)C(=O)C 527a_100000745921_100103153847 [0,1,0,0,0,0|3,0,0]=4 1093 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000188475 [0,1,0,0,0,0|2,0,0]=3 1094 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000188475 [0,1,0,0,0,0|3,0,0]=4 1095 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000188475 [0,1,0,0,0,0|3,0,0]=4 1096 B11R0.141 CCOC(=O)COC(C)C(=O)C 34a_100000212229_100000188475 [0,1,0,0,0,0|3,0,0]=4 1097 B11R0.141 CCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000188475 [0,1,0,0,0,0|2,0,1]=4 1098 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000188475 [0,1,0,0,0,0|3,0,0]=4 1099 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000188475 [0,1,0,0,0,0|3,0,0]=4 1100 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100000188475_100009814033 [0,1,0,0,0,0|3,0,0]=4 1101 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000188475 [0,1,0,0,0,0|3,0,0]=4 1102 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000188475_100000702099 [0,1,0,0,0,0|3,0,0]=4 1103 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000702099_100000188475 [0,1,0,0,0,0|3,0,0]=4 1104 B11R0.141 CCOC(=O)CSC(F)C(=O)N 62a_100000188475_100009813875 [0,1,0,0,0,0|3,0,0]=4 1105 B11R0.141 CCOC(=O)CSC(F)C(=O)N 62a_100009813875_100000188475 [0,1,0,0,0,0|3,0,0]=4 1106 B11R0.141 CCOC(=O)CSC(F)C(=O)[O-] 62a_100000188475_100020610796 [0,1,0,0,0,0|2,0,1]=4 1107 B11R0.141 CCOC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000188475 [0,1,0,0,0,0|2,0,1]=4 1108 B11R0.141 C[C@H](NCC(=O)NCO)C(=O)O 269956a_100000743915_100000185155 [0,1,0,0,0,0|3,0,0]=4 1109 B11R0.145 C/C=C(\C)/C(=O)CCCC(=O)C 1458a_100020587367_100011215641 [0,1,0,0,0,0|1,0,2]=4 1110 B11R0.145 C/C=C(\C)/C(=O)CCCC(=O)N 1458a_100020587367_100102525003 [0,1,0,0,0,0|1,0,2]=4 1111 B11R0.145 C=CC(C)C(=O)CCCC(=O)C 1458a_100011216780_100011215641 [0,1,0,0,0,0|1,0,2]=4 1112 B11R0.145 C=CC(C)C(=O)CCCC(=O)N 1458a_100011216780_100102525003 [0,1,0,0,0,0|1,0,2]=4 1113 B11R0.145 CC(=O)CCCC(=O)C(C)C#N 1458a_100000753662_100011215641 [0,1,0,0,0,0|2,0,1]=4 1114 B11R0.145 CC(=O)CCCC(=O)C(O)CO 1458a_100011215603_100011215641 [0,1,0,0,0,0|2,0,0]=3 1115 B11R0.145 CC(=O)NCCC(=O)C(O)CO 1458a_100011215603_100000189650 [0,1,0,0,0,0|3,0,0]=4 1116 B11R0.145 CC(=O)OCCC(=O)C(O)CO 1458a_100011215603_100009814007 [0,1,0,0,0,0|3,0,0]=4 1117 B11R0.145 CC(C#N)C(=O)CCCC(=O)N 1458a_100000753662_100102525003 [0,1,0,0,0,0|2,0,1]=4 1118 B11R0.145 CC(O)CCCC(=O)C(O)CO 1458a_100011215603_200000718107 [0,1,0,0,0,0|2,0,1]=4 1119 B11R0.145 CCC(C)C(=O)CCC=C(C)C 1458a_100011192722_100011217483 [0,1,0,0,0,0|2,0,1]=4 1120 B11R0.145 CCC(C)C(=O)CCC=C(F)F 1458a_100011192722_200009816681 [0,1,0,0,0,0|2,0,1]=4 1121 B11R0.145 CCC(C)C(=O)CCCC(=O)C 1458a_100011192722_100011215641 [0,1,0,0,0,0|1,0,0]=2 1122 B11R0.145 CCC(C)C(=O)CCCC(=O)N 1458a_100011192722_100102525003 [0,1,0,0,0,0|1,0,0]=2 1123 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011192722_100011214892 [0,1,0,0,0,0|2,0,1]=4 1124 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000758301 [0,1,0,0,0,0|2,0,1]=4 1125 B11R0.145 CCC(C)C(=O)CCCC(C)O 1458a_100011192722_200000718107 [0,1,0,0,0,0|1,0,1]=3 1126 B11R0.145 CCC(C)C(=O)CCCN(C)C 1458a_100011192722_100000695564 [0,1,0,0,0,0|3,0,0]=4 1127 B11R0.145 CCC(C)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000758301 [0,1,0,0,0,0|1,0,1]=3 1128 B11R0.145 CCC(C)C(=O)CCN=C(N)N 1458a_100000033030_100000758301 [0,1,0,0,0,0|3,0,0]=4 1129 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100000183196_100000758301 [0,1,0,0,0,0|2,0,0]=3 1130 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100011192722_100000189650 [0,1,0,0,0,0|2,0,0]=3 1131 B11R0.145 CCC(C)C(=O)CCNC(=O)N 1458a_100000181464_100000758301 [0,1,0,0,0,0|2,0,0]=3 1132 B11R0.145 CCC(C)C(=O)CCNC(=O)N 1458a_100011192722_200000034859 [0,1,0,0,0,0|2,0,0]=3 1133 B11R0.145 CCC(C)C(=O)CCOC(=O)C 1458a_100011192722_100009814007 [0,1,0,0,0,0|2,0,0]=3 1134 B11R0.145 CCC(C)C(=O)CCOC(=O)N 1458a_100011192722_200011214921 [0,1,0,0,0,0|2,0,0]=3 1135 B11R0.145 CCC(C)C(=O)CCSC(=O)C 1458a_100000048949_100000758301 [0,1,0,0,0,0|2,0,0]=3 1136 B11R0.145 CCC(C)C(=O)COCC(=O)N 1458a_100011219004_100000758301 [0,1,0,0,0,0|2,0,0]=3 1137 B11R0.145 CCC(C)C(=O)NCCC(=O)N 11a_100000740010_100011192722 [0,1,0,0,0,0|2,0,0]=3 1138 B11R0.145 CCC(C)C(=O)NCCC(=O)N 240690a_100000740010_100011192722 [0,1,0,0,0,0|2,0,0]=3 1139 B11R0.145 CCC(C)C(=O)NCCC(=O)N 527a_100000740010_100011192722 [0,1,0,0,0,0|2,0,0]=3 1140 B11R0.145 CCC(C)C(=O)NCCC(C)O 240690a_200000755665_100011192722 [0,1,0,0,0,0|2,0,1]=4 1141 B11R0.145 CCC(C)C(=O)NCCC(C)O 527a_200000755665_100011192722 [0,1,0,0,0,0|2,0,1]=4 1142 B11R0.145 CCC(C)N(C)CCCC(=O)C 269982a_100000741768_100011215641 [0,1,0,0,0,0|3,0,0]=4 1143 B11R0.145 CCC(C)N(C)CCCC(=O)N 269982a_100000741768_100102525003 [0,1,0,0,0,0|3,0,0]=4 1144 B11R0.145 CCC(C)N(C)CCCC(=O)O 269956a_100000719178_100000758301 [0,1,0,0,0,0|2,0,0]=3 1145 B11R0.145 CCC(O)C(=O)CCC=C(C)C 1458a_100011196387_100011217483 [0,1,0,0,0,0|2,0,1]=4 1146 B11R0.145 CCC(O)C(=O)CCC=C(F)F 1458a_100011196387_200009816681 [0,1,0,0,0,0|2,0,1]=4 1147 B11R0.145 CCC(O)C(=O)CCCC(=O)C 1458a_100011196387_100011215641 [0,1,0,0,0,0|1,0,0]=2 1148 B11R0.145 CCC(O)C(=O)CCCC(=O)N 1458a_100011196387_100102525003 [0,1,0,0,0,0|1,0,0]=2 1149 B11R0.145 CCC(O)C(=O)CCCC(C)C 1458a_100011196387_100011214892 [0,1,0,0,0,0|2,0,1]=4 1150 B11R0.145 CCC(O)C(=O)CCCC(C)O 1458a_100011196387_200000718107 [0,1,0,0,0,0|1,0,1]=3 1151 B11R0.145 CCC(O)C(=O)CCCN(C)C 1458a_100011196387_100000695564 [0,1,0,0,0,0|3,0,0]=4 1152 B11R0.145 CCC(O)C(=O)CCNC(=O)C 1458a_100011196387_100000189650 [0,1,0,0,0,0|2,0,0]=3 1153 B11R0.145 CCC(O)C(=O)CCNC(=O)N 1458a_100011196387_200000034859 [0,1,0,0,0,0|2,0,0]=3 1154 B11R0.145 CCC(O)C(=O)CCOC(=O)C 1458a_100011196387_100009814007 [0,1,0,0,0,0|2,0,0]=3 1155 B11R0.145 CCC(O)C(=O)CCOC(=O)N 1458a_100011196387_200011214921 [0,1,0,0,0,0|2,0,0]=3 1156 B11R0.145 CCC(O)C(=O)NCCC(=O)N 240690a_100000740010_100011196387 [0,1,0,0,0,0|2,0,0]=3 1157 B11R0.145 CCC(O)C(=O)NCCC(C)O 240690a_200000755665_100011196387 [0,1,0,0,0,0|2,0,1]=4 1158 B11R0.145 CCN(C)C(=O)CCCC(C)O 1626a_100000225621_100000761597 [0,1,0,0,0,0|2,0,1]=4 1159 B11R0.145 CCN(C)C(=O)CCCC(C)O 527a_100000225621_100000761597 [0,1,0,0,0,0|2,0,1]=4 1160 B11R0.145 CCN(C)C(=O)CCC[N+](=O)[O-] 11a_100000225621_100016109205 [0,1,0,0,0,0|2,0,1]=4 1161 B11R0.145 CCN(C)C(=O)CCC[N+](=O)[O-] 1626a_100000225621_100016109205 [0,1,0,0,0,0|2,0,1]=4 1162 B11R0.145 CCN(C)C(=O)CCC[N+](=O)[O-] 240690a_100000225621_100016109205 [0,1,0,0,0,0|2,0,1]=4 1163 B11R0.145 CCN(C)C(=O)CCC[N+](=O)[O-] 527a_100000225621_100016109205 [0,1,0,0,0,0|2,0,1]=4 1164 B11R0.145 CCN(C)C(=O)CCNC(=O)C 11a_100000225621_100000183196 [0,1,0,0,0,0|3,0,0]=4 1165 B11R0.145 CCN(C)C(=O)CCNC(=O)C 1626a_100000225621_100000183196 [0,1,0,0,0,0|3,0,0]=4 1166 B11R0.145 CCN(C)C(=O)CCNC(=O)C 240690a_100000225621_100000183196 [0,1,0,0,0,0|3,0,0]=4 1167 B11R0.145 CCN(C)C(=O)CCNC(=O)C 527a_100000225621_100000183196 [0,1,0,0,0,0|3,0,0]=4 1168 B11R0.145 CCN(C)C(=O)CCNC(=O)N 240690a_100000225621_100000181464 [0,1,0,0,0,0|3,0,0]=4 1169 B11R0.145 CCN(C)C(=O)CCNC(=O)N 527a_100000225621_100000181464 [0,1,0,0,0,0|3,0,0]=4 1170 B11R0.145 CCN(C)C(=O)CCSC(=O)C 1626a_100000225621_100000048949 [0,1,0,0,0,0|3,0,0]=4 1171 B11R0.145 CCN(C)C(=O)CCSC(=O)C 240690a_100000225621_100000048949 [0,1,0,0,0,0|3,0,0]=4 1172 B11R0.145 CCN(C)C(=O)CNCC(=O)N 2230a_100000711301_100000738999 [0,1,0,0,0,0|3,0,0]=4 1173 B11R0.145 CCN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000738999 [0,1,0,0,0,0|2,0,0]=3 1174 B11R0.145 CCN(C)C(=O)COCC(=O)C 34a_100000211253_100000738999 [0,1,0,0,0,0|3,0,0]=4 1175 B11R0.145 CCN(C)C(=O)COCC(=O)N 1626a_100000225621_100011219004 [0,1,0,0,0,0|3,0,0]=4 1176 B11R0.145 CCN(C)C(=O)COCC(=O)N 240690a_100000225621_100011219004 [0,1,0,0,0,0|3,0,0]=4 1177 B11R0.145 CCN(C)C(=O)COCC(=O)N 527a_100000225621_100011219004 [0,1,0,0,0,0|3,0,0]=4 1178 B11R0.145 CCN(C)C(=O)CSCC(=O)N 11a_100000225621_100000150265 [0,1,0,0,0,0|3,0,0]=4 1179 B11R0.145 CCN(C)C(=O)CSCC(=O)N 240690a_100000225621_100000150265 [0,1,0,0,0,0|3,0,0]=4 1180 B11R0.145 CCN(C)C(=O)CSCC(=O)N 527a_100000225621_100000150265 [0,1,0,0,0,0|3,0,0]=4 1181 B11R0.145 CCN(C)C(=O)CSCC(=O)N 62a_100000738999_100000747473 [0,1,0,0,0,0|3,0,0]=4 1182 B11R0.145 CCN(C)C(=O)CSCC(=O)N 62a_100000747473_100000738999 [0,1,0,0,0,0|3,0,0]=4 1183 B11R0.145 CCN(C)C(=O)CSCC(=O)[O-] 62a_100000738999_100020667443 [0,1,0,0,0,0|2,0,1]=4 1184 B11R0.145 CCN(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000738999 [0,1,0,0,0,0|2,0,1]=4 1185 B11R0.145 CCN(C)C(=O)NCCC(=O)N 273464a_100000740010_100000225621 [0,1,0,0,0,0|3,0,0]=4 1186 B11R0.145 CNC(=O)C(=O)CCCC(=O)C 1458a_100011218921_100011215641 [0,1,0,0,0,0|2,0,1]=4 1187 B11R0.145 CNC(=O)C(=O)CCCC(=O)N 1458a_100011218921_100102525003 [0,1,0,0,0,0|2,0,1]=4 1188 B11R0.145 COC(C)C(=O)CCCC(=O)C 1458a_100000743197_100011215641 [0,1,0,0,0,0|2,0,0]=3 1189 B11R0.145 COC(C)C(=O)CCCC(=O)N 1458a_100000743197_100102525003 [0,1,0,0,0,0|2,0,0]=3 1190 B11R0.145 COC(C)C(=O)CCCC(C)O 1458a_100000743197_200000718107 [0,1,0,0,0,0|2,0,1]=4 1191 B11R0.145 COC(C)C(=O)CCNC(=O)C 1458a_100000743197_100000189650 [0,1,0,0,0,0|3,0,0]=4 1192 B11R0.145 COC(C)C(=O)CCNC(=O)N 1458a_100000743197_200000034859 [0,1,0,0,0,0|3,0,0]=4 1193 B11R0.145 COC(C)C(=O)CCOC(=O)C 1458a_100000743197_100009814007 [0,1,0,0,0,0|3,0,0]=4 1194 B11R0.145 COC(C)C(=O)CCOC(=O)N 1458a_100000743197_200011214921 [0,1,0,0,0,0|3,0,0]=4 1195 B11R0.145 COC(C)C(=O)NCCC(=O)N 11a_100000740010_100000743197 [0,1,0,0,0,0|3,0,0]=4 1196 B11R0.145 COC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000743197 [0,1,0,0,0,0|3,0,0]=4 1197 B11R0.145 COC(C)C(=O)NCCC(=O)N 527a_100000740010_100000743197 [0,1,0,0,0,0|3,0,0]=4 1198 B11R0.145 COC(C)N(C)CCCC(=O)O 269956a_100000719178_100009879195 [0,1,0,0,0,0|3,0,0]=4 1199 B11R0.145 CON(C)C(=O)CNCC(=O)O 269956a_100016091260_100000764215 [0,1,0,0,0,0|3,0,0]=4 1200 B11R0.145 CSC(C)C(=O)CCCC(=O)C 1458a_100000149566_100011215641 [0,1,0,0,0,0|2,0,0]=3 1201 B11R0.145 CSC(C)C(=O)CCCC(=O)N 1458a_100000149566_100102525003 [0,1,0,0,0,0|2,0,0]=3 1202 B11R0.145 CSC(C)C(=O)CCCC(C)O 1458a_100000149566_200000718107 [0,1,0,0,0,0|2,0,1]=4 1203 B11R0.145 CSC(C)C(=O)CCNC(=O)C 1458a_100000149566_100000189650 [0,1,0,0,0,0|3,0,0]=4 1204 B11R0.145 CSC(C)C(=O)CCNC(=O)N 1458a_100000149566_200000034859 [0,1,0,0,0,0|3,0,0]=4 1205 B11R0.145 CSC(C)C(=O)CCOC(=O)C 1458a_100000149566_100009814007 [0,1,0,0,0,0|3,0,0]=4 1206 B11R0.145 CSC(C)C(=O)CCOC(=O)N 1458a_100000149566_200011214921 [0,1,0,0,0,0|3,0,0]=4 1207 B11R0.145 CSC(C)C(=O)NCCC(=O)N 11a_100000740010_100000149566 [0,1,0,0,0,0|3,0,0]=4 1208 B11R0.145 CSC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000149566 [0,1,0,0,0,0|3,0,0]=4 1209 B11R0.145 CSC(C)C(=O)NCCC(=O)N 527a_100000740010_100000149566 [0,1,0,0,0,0|3,0,0]=4 1210 B11R0.145 C[C@H](CO)N(C)CCCC(=O)O 269956a_100000719178_100016084084 [0,1,0,0,0,0|3,0,0]=4 1211 B11R0.145 NC(=O)CCCC(=O)C(O)CO 1458a_100011215603_100102525003 [0,1,0,0,0,0|2,0,0]=3 1212 B11R0.145 NC(=O)CCNC(=O)C(O)CO 240690a_100000740010_100011215603 [0,1,0,0,0,0|3,0,0]=4 1213 B11R0.145 NC(=O)NCCC(=O)C(O)CO 1458a_100011215603_200000034859 [0,1,0,0,0,0|3,0,0]=4 1214 B11R0.145 NC(=O)OCCC(=O)C(O)CO 1458a_100011215603_200011214921 [0,1,0,0,0,0|3,0,0]=4 1215 B11R0.147 C#CCCC(=O)CCCC(=O)C 1458a_100000692101_100011215641 [0,1,0,0,0,0|1,0,1]=3 1216 B11R0.147 C#CCCC(=O)CCCC(=O)N 1458a_100000692101_100102525003 [0,1,0,0,0,0|1,0,1]=3 1217 B11R0.147 C#CCCC(=O)CCCC(C)O 1458a_100000692101_200000718107 [0,1,0,0,0,0|1,0,2]=4 1218 B11R0.147 C#CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000753159 [0,1,0,0,0,0|1,0,2]=4 1219 B11R0.147 C#CCCC(=O)CCNC(=O)C 1458a_100000183196_100000753159 [0,1,0,0,0,0|2,0,1]=4 1220 B11R0.147 C#CCCC(=O)CCNC(=O)C 1458a_100000692101_100000189650 [0,1,0,0,0,0|2,0,1]=4 1221 B11R0.147 C#CCCC(=O)CCNC(=O)N 1458a_100000181464_100000753159 [0,1,0,0,0,0|2,0,1]=4 1222 B11R0.147 C#CCCC(=O)CCNC(=O)N 1458a_100000692101_200000034859 [0,1,0,0,0,0|2,0,1]=4 1223 B11R0.147 C#CCCC(=O)CCOC(=O)C 1458a_100000692101_100009814007 [0,1,0,0,0,0|2,0,1]=4 1224 B11R0.147 C#CCCC(=O)CCOC(=O)N 1458a_100000692101_200011214921 [0,1,0,0,0,0|2,0,1]=4 1225 B11R0.147 C#CCCC(=O)CCSC(=O)C 1458a_100000048949_100000753159 [0,1,0,0,0,0|2,0,1]=4 1226 B11R0.147 C#CCCC(=O)COCC(=O)N 1458a_100011219004_100000753159 [0,1,0,0,0,0|2,0,1]=4 1227 B11R0.147 C#CCCC(=O)NCCC(=O)N 11a_100000740010_100000692101 [0,1,0,0,0,0|2,0,1]=4 1228 B11R0.147 C#CCCC(=O)NCCC(=O)N 240690a_100000740010_100000692101 [0,1,0,0,0,0|2,0,1]=4 1229 B11R0.147 C#CCCC(=O)NCCC(=O)N 527a_100000740010_100000692101 [0,1,0,0,0,0|2,0,1]=4 1230 B11R0.147 C#CCCN(C)CCCC(=O)O 269956a_100000719178_100000688953 [0,1,0,0,0,0|2,0,1]=4 1231 B11R0.147 C/C=C/CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100102629194 [0,1,0,0,0,0|1,0,2]=4 1232 B11R0.147 C/C=C/CC(=O)CCNC(=O)C 1458a_100000183196_100102629194 [0,1,0,0,0,0|2,0,1]=4 1233 B11R0.147 C/C=C/CC(=O)CCNC(=O)N 1458a_100000181464_100102629194 [0,1,0,0,0,0|2,0,1]=4 1234 B11R0.147 C/C=C/CC(=O)CCSC(=O)C 1458a_100000048949_100102629194 [0,1,0,0,0,0|2,0,1]=4 1235 B11R0.147 C/C=C/CC(=O)COCC(=O)N 1458a_100011219004_100102629194 [0,1,0,0,0,0|2,0,1]=4 1236 B11R0.147 C/C=C/CN(C)CCCC(=O)O 269956a_100000719178_100102629194 [0,1,0,0,0,0|2,0,1]=4 1237 B11R0.147 C=C(C)CNCC(=O)NCCC 2230a_100000174927_100000748629 [0,1,0,0,0,0|3,0,0]=4 1238 B11R0.147 C=C(C)COCC(=O)NCCC 34a_100000210245_100000183358 [0,1,0,0,0,0|3,0,0]=4 1239 B11R0.147 C=C(C)COCC(=O)OCCC 34a_100000210245_200011215008 [0,1,0,0,0,0|3,0,0]=4 1240 B11R0.147 C=C(C)CSCC(=O)NCCC 62a_100000183358_100000211660 [0,1,0,0,0,0|3,0,0]=4 1241 B11R0.147 C=C(C)CSCC(=O)NCCC 62a_100000748629_100000183358 [0,1,0,0,0,0|3,0,0]=4 1242 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_100000748629_200011215008 [0,1,0,0,0,0|3,0,0]=4 1243 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_200011215008_100000211660 [0,1,0,0,0,0|3,0,0]=4 1244 B11R0.147 C=C(CNCC(=O)O)OCOC 269956a_100016091260_100000042856 [0,1,0,0,0,0|3,0,0]=4 1245 B11R0.147 C=C(F)CNCC(=O)NCCC 2230a_100000174927_100009893438 [0,1,0,0,0,0|3,0,0]=4 1246 B11R0.147 C=C(F)COCC(=O)NCCC 34a_200010262243_100000183358 [0,1,0,0,0,0|3,0,0]=4 1247 B11R0.147 C=C(F)COCC(=O)OCCC 34a_200010262243_200011215008 [0,1,0,0,0,0|3,0,0]=4 1248 B11R0.147 C=C(F)CSCC(=O)NCCC 62a_100000042424_100000183358 [0,1,0,0,0,0|3,0,0]=4 1249 B11R0.147 C=C(F)CSCC(=O)NCCC 62a_100000183358_100000042424 [0,1,0,0,0,0|3,0,0]=4 1250 B11R0.147 C=C(F)CSCC(=O)OCCC 62a_100000042424_200011215008 [0,1,0,0,0,0|3,0,0]=4 1251 B11R0.147 C=C(F)CSCC(=O)OCCC 62a_200011215008_100000042424 [0,1,0,0,0,0|3,0,0]=4 1252 B11R0.147 C=CCCC(=O)CCCC(=O)C 1458a_100000749702_100011215641 [0,1,0,0,0,0|1,0,1]=3 1253 B11R0.147 C=CCCC(=O)CCCC(=O)N 1458a_100000749702_100102525003 [0,1,0,0,0,0|1,0,1]=3 1254 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [0,1,0,0,0,0|1,0,2]=4 1255 B11R0.147 C=CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000754431 [0,1,0,0,0,0|1,0,2]=4 1256 B11R0.147 C=CCCC(=O)CCNC(=O)C 1458a_100000183196_100000754431 [0,1,0,0,0,0|2,0,1]=4 1257 B11R0.147 C=CCCC(=O)CCNC(=O)C 1458a_100000749702_100000189650 [0,1,0,0,0,0|2,0,1]=4 1258 B11R0.147 C=CCCC(=O)CCNC(=O)N 1458a_100000181464_100000754431 [0,1,0,0,0,0|2,0,1]=4 1259 B11R0.147 C=CCCC(=O)CCNC(=O)N 1458a_100000749702_200000034859 [0,1,0,0,0,0|2,0,1]=4 1260 B11R0.147 C=CCCC(=O)CCOC(=O)C 1458a_100000749702_100009814007 [0,1,0,0,0,0|2,0,1]=4 1261 B11R0.147 C=CCCC(=O)CCOC(=O)N 1458a_100000749702_200011214921 [0,1,0,0,0,0|2,0,1]=4 1262 B11R0.147 C=CCCC(=O)CCSC(=O)C 1458a_100000048949_100000754431 [0,1,0,0,0,0|2,0,1]=4 1263 B11R0.147 C=CCCC(=O)COCC(=O)N 1458a_100011219004_100000754431 [0,1,0,0,0,0|2,0,1]=4 1264 B11R0.147 C=CCCC(=O)NCCC(=O)N 11a_100000740010_100000749702 [0,1,0,0,0,0|2,0,1]=4 1265 B11R0.147 C=CCCC(=O)NCCC(=O)N 240690a_100000740010_100000749702 [0,1,0,0,0,0|2,0,1]=4 1266 B11R0.147 C=CCCC(=O)NCCC(=O)N 527a_100000740010_100000749702 [0,1,0,0,0,0|2,0,1]=4 1267 B11R0.147 C=CCCN(C)CCCC(=O)O 269956a_100000719178_100000754431 [0,1,0,0,0,0|2,0,1]=4 1268 B11R0.147 C=CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183597 [0,1,0,0,0,0|1,0,2]=4 1269 B11R0.147 C=CCOC(=O)CNCC(=O)O 269956a_100016091260_100000033060 [0,1,0,0,0,0|1,0,2]=4 1270 B11R0.147 CC#CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000748600 [0,1,0,0,0,0|1,0,2]=4 1271 B11R0.147 CC#CCC(=O)CCNC(=O)C 1458a_100000183196_100000748600 [0,1,0,0,0,0|2,0,1]=4 1272 B11R0.147 CC#CCC(=O)CCNC(=O)N 1458a_100000181464_100000748600 [0,1,0,0,0,0|2,0,1]=4 1273 B11R0.147 CC#CCC(=O)CCSC(=O)C 1458a_100000048949_100000748600 [0,1,0,0,0,0|2,0,1]=4 1274 B11R0.147 CC#CCC(=O)COCC(=O)N 1458a_100011219004_100000748600 [0,1,0,0,0,0|2,0,1]=4 1275 B11R0.147 CC#CCN(C)CCCC(=O)O 269956a_100000719178_100000748600 [0,1,0,0,0,0|2,0,1]=4 1276 B11R0.147 CC(=O)CCCC(=O)C#CCO 1458a_100000049017_100011215641 [0,1,0,0,0,0|1,0,2]=4 1277 B11R0.147 CC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011215641 [0,1,0,0,0,0|1,0,1]=3 1278 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [0,1,0,0,0,0|3,0,0]=4 1279 B11R0.147 CC(=O)NCCC(=O)CCC#N 1458a_100000183196_100011215226 [0,1,0,0,0,0|2,0,1]=4 1280 B11R0.147 CC(=O)NCCC(=O)CCC#N 1458a_100011934036_100000189650 [0,1,0,0,0,0|2,0,1]=4 1281 B11R0.147 CC(=O)NCCC(=O)CCCF 1458a_100000183196_100011934791 [0,1,0,0,0,0|2,0,0]=3 1282 B11R0.147 CC(=O)NCCC(=O)CCCO 1458a_100000183196_100011215043 [0,1,0,0,0,0|2,0,0]=3 1283 B11R0.147 CC(=O)NCCC(=O)NCCF 11a_100000724931_100000183196 [0,1,0,0,0,0|3,0,0]=4 1284 B11R0.147 CC(=O)NCCC(=O)NCCF 1626a_100000724931_100000183196 [0,1,0,0,0,0|3,0,0]=4 1285 B11R0.147 CC(=O)NCCC(=O)NCCF 240690a_100000724931_100000183196 [0,1,0,0,0,0|3,0,0]=4 1286 B11R0.147 CC(=O)NCCC(=O)NCCF 527a_100000724931_100000183196 [0,1,0,0,0,0|3,0,0]=4 1287 B11R0.147 CC(=O)NCCC(=O)NCCO 240690a_100000210304_100000183196 [0,1,0,0,0,0|3,0,0]=4 1288 B11R0.147 CC(=O)NCCC(=O)NCCO 527a_100000210304_100000183196 [0,1,0,0,0,0|3,0,0]=4 1289 B11R0.147 CC(=O)OCCC(=O)CCC#N 1458a_100011934036_100009814007 [0,1,0,0,0,0|2,0,1]=4 1290 B11R0.147 CC(=O)SCCC(=O)CCC#N 1458a_100000048949_100011215226 [0,1,0,0,0,0|2,0,1]=4 1291 B11R0.147 CC(=O)SCCC(=O)CCCF 1458a_100000048949_100011934791 [0,1,0,0,0,0|2,0,0]=3 1292 B11R0.147 CC(=O)SCCC(=O)CCCO 1458a_100000048949_100011215043 [0,1,0,0,0,0|2,0,0]=3 1293 B11R0.147 CC(=O)SCCC(=O)NCCF 1626a_100000724931_100000048949 [0,1,0,0,0,0|3,0,0]=4 1294 B11R0.147 CC(=O)SCCC(=O)NCCF 240690a_100000724931_100000048949 [0,1,0,0,0,0|3,0,0]=4 1295 B11R0.147 CC(=O)SCCC(=O)NCCO 240690a_100000210304_100000048949 [0,1,0,0,0,0|3,0,0]=4 1296 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,1,0,0,0,0|2,0,1]=4 1297 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,1,0,0,0,0|2,0,1]=4 1298 B11R0.147 CC(O)CCCC(=O)CCC#N 1458a_100011934036_200000718107 [0,1,0,0,0,0|1,0,2]=4 1299 B11R0.147 CC(O)CCCC(=O)NCCF 1626a_100000724931_100000761597 [0,1,0,0,0,0|2,0,1]=4 1300 B11R0.147 CC(O)CCCC(=O)NCCF 527a_100000724931_100000761597 [0,1,0,0,0,0|2,0,1]=4 1301 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,1,0,0,0,0|2,0,1]=4 1302 B11R0.147 CC=CCC(=O)CCCC(=O)C 1458a_100121576822_100011215641 [0,1,0,0,0,0|1,0,1]=3 1303 B11R0.147 CC=CCC(=O)CCCC(=O)N 1458a_100121576822_100102525003 [0,1,0,0,0,0|1,0,1]=3 1304 B11R0.147 CC=CCC(=O)CCCC(C)O 1458a_100121576822_200000718107 [0,1,0,0,0,0|1,0,2]=4 1305 B11R0.147 CC=CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000070051 [0,1,0,0,0,0|1,0,2]=4 1306 B11R0.147 CC=CCC(=O)CCNC(=O)C 1458a_100000183196_100000070051 [0,1,0,0,0,0|2,0,1]=4 1307 B11R0.147 CC=CCC(=O)CCNC(=O)C 1458a_100121576822_100000189650 [0,1,0,0,0,0|2,0,1]=4 1308 B11R0.147 CC=CCC(=O)CCNC(=O)N 1458a_100000181464_100000070051 [0,1,0,0,0,0|2,0,1]=4 1309 B11R0.147 CC=CCC(=O)CCNC(=O)N 1458a_100121576822_200000034859 [0,1,0,0,0,0|2,0,1]=4 1310 B11R0.147 CC=CCC(=O)CCOC(=O)C 1458a_100121576822_100009814007 [0,1,0,0,0,0|2,0,1]=4 1311 B11R0.147 CC=CCC(=O)CCOC(=O)N 1458a_100121576822_200011214921 [0,1,0,0,0,0|2,0,1]=4 1312 B11R0.147 CC=CCC(=O)CCSC(=O)C 1458a_100000048949_100000070051 [0,1,0,0,0,0|2,0,1]=4 1313 B11R0.147 CC=CCC(=O)COCC(=O)N 1458a_100011219004_100000070051 [0,1,0,0,0,0|2,0,1]=4 1314 B11R0.147 CC=CCC(=O)NCCC(=O)N 11a_100000740010_100121576822 [0,1,0,0,0,0|2,0,1]=4 1315 B11R0.147 CC=CCC(=O)NCCC(=O)N 240690a_100000740010_100121576822 [0,1,0,0,0,0|2,0,1]=4 1316 B11R0.147 CC=CCC(=O)NCCC(=O)N 527a_100000740010_100121576822 [0,1,0,0,0,0|2,0,1]=4 1317 B11R0.147 CCC#CC(=O)CCCC(=O)C 1458a_100011827653_100011215641 [0,1,0,0,0,0|1,0,1]=3 1318 B11R0.147 CCC#CC(=O)CCCC(=O)N 1458a_100011827653_100102525003 [0,1,0,0,0,0|1,0,1]=3 1319 B11R0.147 CCC#CC(=O)CCCC(C)O 1458a_100011827653_200000718107 [0,1,0,0,0,0|1,0,2]=4 1320 B11R0.147 CCC#CC(=O)CCNC(=O)C 1458a_100011827653_100000189650 [0,1,0,0,0,0|2,0,1]=4 1321 B11R0.147 CCC#CC(=O)CCNC(=O)N 1458a_100011827653_200000034859 [0,1,0,0,0,0|2,0,1]=4 1322 B11R0.147 CCC#CC(=O)CCOC(=O)C 1458a_100011827653_100009814007 [0,1,0,0,0,0|2,0,1]=4 1323 B11R0.147 CCC#CC(=O)CCOC(=O)N 1458a_100011827653_200011214921 [0,1,0,0,0,0|2,0,1]=4 1324 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,1,0,0,0,0|1,0,1]=3 1325 B11R0.147 CCC=CC(=O)CCCC(=O)N 1458a_100000212282_100102525003 [0,1,0,0,0,0|1,0,1]=3 1326 B11R0.147 CCC=CC(=O)CCCC(C)O 1458a_100000212282_200000718107 [0,1,0,0,0,0|1,0,2]=4 1327 B11R0.147 CCC=CC(=O)CCNC(=O)C 1458a_100000212282_100000189650 [0,1,0,0,0,0|2,0,1]=4 1328 B11R0.147 CCC=CC(=O)CCNC(=O)N 1458a_100000212282_200000034859 [0,1,0,0,0,0|2,0,1]=4 1329 B11R0.147 CCC=CC(=O)CCOC(=O)C 1458a_100000212282_100009814007 [0,1,0,0,0,0|2,0,1]=4 1330 B11R0.147 CCC=CC(=O)CCOC(=O)N 1458a_100000212282_200011214921 [0,1,0,0,0,0|2,0,1]=4 1331 B11R0.147 CCC=CC(=O)NCCC(=O)N 11a_100000740010_100000212282 [0,1,0,0,0,0|2,0,1]=4 1332 B11R0.147 CCC=CC(=O)NCCC(=O)N 240690a_100000740010_100000212282 [0,1,0,0,0,0|2,0,1]=4 1333 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [0,1,0,0,0,0|2,0,1]=4 1334 B11R0.147 CCCCC(=O)CCC=C(F)F 1458a_100000210183_200009816681 [0,1,0,0,0,0|2,0,1]=4 1335 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,1,0,0,0,0|1,0,0]=2 1336 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,1,0,0,0,0|1,0,0]=2 1337 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,1,0,0,0,0|2,0,1]=4 1338 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,1,0,0,0,0|2,0,1]=4 1339 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,1,0,0,0,0|1,0,1]=3 1340 B11R0.147 CCCCC(=O)CCCN(C)C 1458a_100000210183_100000695564 [0,1,0,0,0,0|3,0,0]=4 1341 B11R0.147 CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210211 [0,1,0,0,0,0|1,0,1]=3 1342 B11R0.147 CCCCC(=O)CCN=C(N)N 1458a_100000033030_100000210211 [0,1,0,0,0,0|3,0,0]=4 1343 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,1,0,0,0,0|2,0,0]=3 1344 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,1,0,0,0,0|2,0,0]=3 1345 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210211 [0,1,0,0,0,0|2,0,0]=3 1346 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000210183_200000034859 [0,1,0,0,0,0|2,0,0]=3 1347 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,1,0,0,0,0|2,0,0]=3 1348 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [0,1,0,0,0,0|2,0,0]=3 1349 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,1,0,0,0,0|2,0,0]=3 1350 B11R0.147 CCCCC(=O)COCC(=O)N 1458a_100011219004_100000210211 [0,1,0,0,0,0|2,0,0]=3 1351 B11R0.147 CCCCC(=O)NCCC(=O)N 11a_100000740010_100000210183 [0,1,0,0,0,0|2,0,0]=3 1352 B11R0.147 CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210183 [0,1,0,0,0,0|2,0,0]=3 1353 B11R0.147 CCCCC(=O)NCCC(=O)N 527a_100000740010_100000210183 [0,1,0,0,0,0|2,0,0]=3 1354 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [0,1,0,0,0,0|2,0,1]=4 1355 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [0,1,0,0,0,0|2,0,1]=4 1356 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,1,0,0,0,0|3,0,0]=4 1357 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [0,1,0,0,0,0|3,0,0]=4 1358 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,1,0,0,0,0|2,0,0]=3 1359 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,1,0,0,0,0|1,0,0]=2 1360 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,1,0,0,0,0|1,0,0]=2 1361 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,1,0,0,0,0|1,0,0]=2 1362 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,1,0,0,0,0|2,0,1]=4 1363 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,1,0,0,0,0|2,0,1]=4 1364 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,1,0,0,0,0|2,0,1]=4 1365 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,1,0,0,0,0|2,0,1]=4 1366 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,1,0,0,0,0|1,0,1]=3 1367 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,1,0,0,0,0|1,0,1]=3 1368 B11R0.147 CCCNC(=O)CCCN(C)C 11a_100020643023_100000740757 [0,1,0,0,0,0|3,0,0]=4 1369 B11R0.147 CCCNC(=O)CCCN(C)C 2230a_100102631434_100011194427 [0,1,0,0,0,0|3,0,0]=4 1370 B11R0.147 CCCNC(=O)CCCN(C)C 240690a_100020643023_100000740757 [0,1,0,0,0,0|3,0,0]=4 1371 B11R0.147 CCCNC(=O)CCCN(C)C 269982a_100102631434_100011194427 [0,1,0,0,0,0|3,0,0]=4 1372 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 11a_100020643023_100016109205 [0,1,0,0,0,0|1,0,1]=3 1373 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 1626a_100020643023_100016109205 [0,1,0,0,0,0|1,0,1]=3 1374 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 240690a_100020643023_100016109205 [0,1,0,0,0,0|1,0,1]=3 1375 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 527a_100020643023_100016109205 [0,1,0,0,0,0|1,0,1]=3 1376 B11R0.147 CCCNC(=O)CCN=C(N)N 240690a_100020643023_100000033030 [0,1,0,0,0,0|3,0,0]=4 1377 B11R0.147 CCCNC(=O)CCNC(=O)C 11a_100020643023_100000183196 [0,1,0,0,0,0|2,0,0]=3 1378 B11R0.147 CCCNC(=O)CCNC(=O)C 1626a_100020643023_100000183196 [0,1,0,0,0,0|2,0,0]=3 1379 B11R0.147 CCCNC(=O)CCNC(=O)C 240690a_100020643023_100000183196 [0,1,0,0,0,0|2,0,0]=3 1380 B11R0.147 CCCNC(=O)CCNC(=O)C 527a_100020643023_100000183196 [0,1,0,0,0,0|2,0,0]=3 1381 B11R0.147 CCCNC(=O)CCNC(=O)N 240690a_100020643023_100000181464 [0,1,0,0,0,0|2,0,0]=3 1382 B11R0.147 CCCNC(=O)CCNC(=O)N 527a_100020643023_100000181464 [0,1,0,0,0,0|2,0,0]=3 1383 B11R0.147 CCCNC(=O)CCSC(=O)C 1626a_100020643023_100000048949 [0,1,0,0,0,0|2,0,0]=3 1384 B11R0.147 CCCNC(=O)CCSC(=O)C 240690a_100020643023_100000048949 [0,1,0,0,0,0|2,0,0]=3 1385 B11R0.147 CCCNC(=O)CNCC(=O)N 2230a_100000174927_100000747473 [0,1,0,0,0,0|2,0,0]=3 1386 B11R0.147 CCCNC(=O)CNCC(=O)N 2230a_100000711301_100000183358 [0,1,0,0,0,0|2,0,0]=3 1387 B11R0.147 CCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183358 [0,1,0,0,0,0|1,0,0]=2 1388 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000174927_100011218427 [0,1,0,0,0,0|2,0,1]=4 1389 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000210904_100000183358 [0,1,0,0,0,0|2,0,1]=4 1390 B11R0.147 CCCNC(=O)CNCC(C)O 34a_100000210904_100000183358 [0,1,0,0,0,0|2,0,1]=4 1391 B11R0.147 CCCNC(=O)CNC[C@@H](C)O 2230a_100000174927_100009817552 [0,1,0,0,0,0|2,0,1]=4 1392 B11R0.147 CCCNC(=O)COCC(=O)C 34a_100000211253_100000183358 [0,1,0,0,0,0|2,0,0]=3 1393 B11R0.147 CCCNC(=O)COCC(=O)N 1626a_100020643023_100011219004 [0,1,0,0,0,0|2,0,0]=3 1394 B11R0.147 CCCNC(=O)COCC(=O)N 240690a_100020643023_100011219004 [0,1,0,0,0,0|2,0,0]=3 1395 B11R0.147 CCCNC(=O)COCC(=O)N 527a_100020643023_100011219004 [0,1,0,0,0,0|2,0,0]=3 1396 B11R0.147 CCCNC(=O)CSCC(=O)N 11a_100020643023_100000150265 [0,1,0,0,0,0|2,0,0]=3 1397 B11R0.147 CCCNC(=O)CSCC(=O)N 240690a_100020643023_100000150265 [0,1,0,0,0,0|2,0,0]=3 1398 B11R0.147 CCCNC(=O)CSCC(=O)N 527a_100020643023_100000150265 [0,1,0,0,0,0|2,0,0]=3 1399 B11R0.147 CCCNC(=O)CSCC(=O)N 62a_100000183358_100000747473 [0,1,0,0,0,0|2,0,0]=3 1400 B11R0.147 CCCNC(=O)CSCC(=O)N 62a_100000747473_100000183358 [0,1,0,0,0,0|2,0,0]=3 1401 B11R0.147 CCCNC(=O)CSCC(=O)[O-] 62a_100000183358_100020667443 [0,1,0,0,0,0|1,0,1]=3 1402 B11R0.147 CCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183358 [0,1,0,0,0,0|1,0,1]=3 1403 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100000183358_100011218427 [0,1,0,0,0,0|2,0,1]=4 1404 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100011218427_100000183358 [0,1,0,0,0,0|2,0,1]=4 1405 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100000183358_100009817552 [0,1,0,0,0,0|2,0,1]=4 1406 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183358 [0,1,0,0,0,0|2,0,1]=4 1407 B11R0.147 CCCNC(=O)CSC[N+](=O)[O-] 62a_100000183358_100000761209 [0,1,0,0,0,0|2,0,1]=4 1408 B11R0.147 CCCNC(=O)NCCC(=O)N 2708a_100020643023_100000740010 [0,1,0,0,0,0|2,0,0]=3 1409 B11R0.147 CCCNC(=O)NCCC(=O)N 273464a_100000740010_100020643023 [0,1,0,0,0,0|2,0,0]=3 1410 B11R0.147 CCCNC(=O)NCCC(=O)N 273464a_100020643023_100000740010 [0,1,0,0,0,0|2,0,0]=3 1411 B11R0.147 CCCNC(=O)NCCC(=O)N 512a_100020643023_100000740010 [0,1,0,0,0,0|2,0,0]=3 1412 B11R0.147 CCCNC(=O)NCCC(C)O 2708a_100020643023_200000755665 [0,1,0,0,0,0|2,0,1]=4 1413 B11R0.147 CCCNC(=O)NCCC(C)O 273464a_200000755665_100020643023 [0,1,0,0,0,0|2,0,1]=4 1414 B11R0.147 CCCNC(=O)NCCC(C)O 512a_100020643023_200000755665 [0,1,0,0,0,0|2,0,1]=4 1415 B11R0.147 CCCNC(=O)NCCC(C)O 512a_200000755665_100020643023 [0,1,0,0,0,0|2,0,1]=4 1416 B11R0.147 CCCOC(=O)CNCC(=O)N 2230a_100000711301_200011215008 [0,1,0,0,0,0|2,0,0]=3 1417 B11R0.147 CCCOC(=O)CNCC(=O)O 269956a_100016091260_200011215008 [0,1,0,0,0,0|1,0,0]=2 1418 B11R0.147 CCCOC(=O)CNCC(C)O 2230a_100000210904_200011215008 [0,1,0,0,0,0|2,0,1]=4 1419 B11R0.147 CCCOC(=O)CNCC(C)O 34a_100000210904_200011215008 [0,1,0,0,0,0|2,0,1]=4 1420 B11R0.147 CCCOC(=O)COCC(=O)C 34a_100000211253_200011215008 [0,1,0,0,0,0|2,0,0]=3 1421 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_100000747473_200011215008 [0,1,0,0,0,0|2,0,0]=3 1422 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_200011215008_100000747473 [0,1,0,0,0,0|2,0,0]=3 1423 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200011215008 [0,1,0,0,0,0|1,0,1]=3 1424 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_200011215008_100020667443 [0,1,0,0,0,0|1,0,1]=3 1425 B11R0.147 CCCOC(=O)CSCC(C)O 62a_100011218427_200011215008 [0,1,0,0,0,0|2,0,1]=4 1426 B11R0.147 CCCOC(=O)CSCC(C)O 62a_200011215008_100011218427 [0,1,0,0,0,0|2,0,1]=4 1427 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200011215008 [0,1,0,0,0,0|2,0,1]=4 1428 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_200011215008_100009817552 [0,1,0,0,0,0|2,0,1]=4 1429 B11R0.147 CCCOC(=O)CSC[N+](=O)[O-] 62a_200011215008_100000761209 [0,1,0,0,0,0|2,0,1]=4 1430 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [0,1,0,0,0,0|1,0,2]=4 1431 B11R0.147 CCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210202 [0,1,0,0,0,0|2,0,0]=3 1432 B11R0.147 CCNNC(=O)CCCC(C)O 22a_100000756455_100000761597 [0,1,0,0,0,0|2,0,1]=4 1433 B11R0.147 CCNNC(=O)CCC[N+](=O)[O-] 22a_100000756455_100016109205 [0,1,0,0,0,0|2,0,1]=4 1434 B11R0.147 CCNNC(=O)CCNC(=O)C 22a_100000756455_100000183196 [0,1,0,0,0,0|3,0,0]=4 1435 B11R0.147 CCNNC(=O)CCNC(=O)N 22a_100000756455_100000181464 [0,1,0,0,0,0|3,0,0]=4 1436 B11R0.147 CCNNC(=O)COCC(=O)N 22a_100000756455_100011219004 [0,1,0,0,0,0|3,0,0]=4 1437 B11R0.147 CCNNC(=O)CSCC(=O)N 22a_100000756455_100000150265 [0,1,0,0,0,0|3,0,0]=4 1438 B11R0.147 CCNNC(=O)NCCC(=O)N 273464a_100000740010_100000756455 [0,1,0,0,0,0|3,0,0]=4 1439 B11R0.147 CCNNC(=O)NCCC(=O)N 512a_100000756455_100000740010 [0,1,0,0,0,0|3,0,0]=4 1440 B11R0.147 CCOCC(=O)CCC=C(C)C 1458a_100000211967_100011217483 [0,1,0,0,0,0|2,0,1]=4 1441 B11R0.147 CCOCC(=O)CCC=C(F)F 1458a_100000211967_200009816681 [0,1,0,0,0,0|2,0,1]=4 1442 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,1,0,0,0,0|1,0,0]=2 1443 B11R0.147 CCOCC(=O)CCCC(=O)N 1458a_100000211967_100102525003 [0,1,0,0,0,0|1,0,0]=2 1444 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,1,0,0,0,0|2,0,1]=4 1445 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,1,0,0,0,0|1,0,1]=3 1446 B11R0.147 CCOCC(=O)CCCN(C)C 1458a_100000211967_100000695564 [0,1,0,0,0,0|3,0,0]=4 1447 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,1,0,0,0,0|2,0,0]=3 1448 B11R0.147 CCOCC(=O)CCNC(=O)N 1458a_100000211967_200000034859 [0,1,0,0,0,0|2,0,0]=3 1449 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [0,1,0,0,0,0|2,0,0]=3 1450 B11R0.147 CCOCC(=O)CCOC(=O)N 1458a_100000211967_200011214921 [0,1,0,0,0,0|2,0,0]=3 1451 B11R0.147 CCOCC(=O)NCCC(=O)N 11a_100000740010_100000211967 [0,1,0,0,0,0|2,0,0]=3 1452 B11R0.147 CCOCC(=O)NCCC(=O)N 240690a_100000740010_100000211967 [0,1,0,0,0,0|2,0,0]=3 1453 B11R0.147 CCOCC(=O)NCCC(=O)N 527a_100000740010_100000211967 [0,1,0,0,0,0|2,0,0]=3 1454 B11R0.147 CCOCC(=O)NCCC(C)O 240690a_200000755665_100000211967 [0,1,0,0,0,0|2,0,1]=4 1455 B11R0.147 CCOCC(=O)NCCC(C)O 527a_200000755665_100000211967 [0,1,0,0,0,0|2,0,1]=4 1456 B11R0.147 CCOCN(C)CCCC(=O)O 269956a_100000719178_100000739092 [0,1,0,0,0,0|2,0,0]=3 1457 B11R0.147 CCSCC(=O)CCC=C(C)C 1458a_100000230394_100011217483 [0,1,0,0,0,0|2,0,1]=4 1458 B11R0.147 CCSCC(=O)CCC=C(F)F 1458a_100000230394_200009816681 [0,1,0,0,0,0|2,0,1]=4 1459 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,1,0,0,0,0|1,0,0]=2 1460 B11R0.147 CCSCC(=O)CCCC(=O)N 1458a_100000230394_100102525003 [0,1,0,0,0,0|1,0,0]=2 1461 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [0,1,0,0,0,0|2,0,1]=4 1462 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [0,1,0,0,0,0|1,0,1]=3 1463 B11R0.147 CCSCC(=O)CCCN(C)C 1458a_100000230394_100000695564 [0,1,0,0,0,0|3,0,0]=4 1464 B11R0.147 CCSCC(=O)CCNC(=O)C 1458a_100000230394_100000189650 [0,1,0,0,0,0|2,0,0]=3 1465 B11R0.147 CCSCC(=O)CCNC(=O)N 1458a_100000230394_200000034859 [0,1,0,0,0,0|2,0,0]=3 1466 B11R0.147 CCSCC(=O)CCOC(=O)C 1458a_100000230394_100009814007 [0,1,0,0,0,0|2,0,0]=3 1467 B11R0.147 CCSCC(=O)CCOC(=O)N 1458a_100000230394_200011214921 [0,1,0,0,0,0|2,0,0]=3 1468 B11R0.147 CCSCC(=O)NCCC(=O)N 11a_100000740010_100000230394 [0,1,0,0,0,0|2,0,0]=3 1469 B11R0.147 CCSCC(=O)NCCC(=O)N 240690a_100000740010_100000230394 [0,1,0,0,0,0|2,0,0]=3 1470 B11R0.147 CCSCC(=O)NCCC(=O)N 527a_100000740010_100000230394 [0,1,0,0,0,0|2,0,0]=3 1471 B11R0.147 CCSCC(=O)NCCC(C)O 240690a_200000755665_100000230394 [0,1,0,0,0,0|2,0,1]=4 1472 B11R0.147 CCSCC(=O)NCCC(C)O 527a_200000755665_100000230394 [0,1,0,0,0,0|2,0,1]=4 1473 B11R0.147 CN(CCC#N)CCCC(=O)O 269956a_100000719178_100011215226 [0,1,0,0,0,0|2,0,1]=4 1474 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [0,1,0,0,0,0|2,0,0]=3 1475 B11R0.147 CN(CCCO)CCCC(=O)N 269982a_100000213112_100102525003 [0,1,0,0,0,0|3,0,0]=4 1476 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [0,1,0,0,0,0|2,0,0]=3 1477 B11R0.147 COC=CC(=O)CCCC(=O)C 1458a_100016268678_100011215641 [0,1,0,0,0,0|1,0,2]=4 1478 B11R0.147 COC=CC(=O)CCCC(=O)N 1458a_100016268678_100102525003 [0,1,0,0,0,0|1,0,2]=4 1479 B11R0.147 COCCC(=O)CCC=C(C)C 1458a_100000749529_100011217483 [0,1,0,0,0,0|2,0,1]=4 1480 B11R0.147 COCCC(=O)CCC=C(F)F 1458a_100000749529_200009816681 [0,1,0,0,0,0|2,0,1]=4 1481 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,1,0,0,0,0|1,0,0]=2 1482 B11R0.147 COCCC(=O)CCCC(=O)N 1458a_100000749529_100102525003 [0,1,0,0,0,0|1,0,0]=2 1483 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [0,1,0,0,0,0|2,0,1]=4 1484 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [0,1,0,0,0,0|2,0,1]=4 1485 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,1,0,0,0,0|1,0,1]=3 1486 B11R0.147 COCCC(=O)CCCN(C)C 1458a_100000749529_100000695564 [0,1,0,0,0,0|3,0,0]=4 1487 B11R0.147 COCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000233755 [0,1,0,0,0,0|1,0,1]=3 1488 B11R0.147 COCCC(=O)CCN=C(N)N 1458a_100000033030_100000233755 [0,1,0,0,0,0|3,0,0]=4 1489 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000183196_100000233755 [0,1,0,0,0,0|2,0,0]=3 1490 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000749529_100000189650 [0,1,0,0,0,0|2,0,0]=3 1491 B11R0.147 COCCC(=O)CCNC(=O)N 1458a_100000181464_100000233755 [0,1,0,0,0,0|2,0,0]=3 1492 B11R0.147 COCCC(=O)CCNC(=O)N 1458a_100000749529_200000034859 [0,1,0,0,0,0|2,0,0]=3 1493 B11R0.147 COCCC(=O)CCOC(=O)C 1458a_100000749529_100009814007 [0,1,0,0,0,0|2,0,0]=3 1494 B11R0.147 COCCC(=O)CCOC(=O)N 1458a_100000749529_200011214921 [0,1,0,0,0,0|2,0,0]=3 1495 B11R0.147 COCCC(=O)CCSC(=O)C 1458a_100000048949_100000233755 [0,1,0,0,0,0|2,0,0]=3 1496 B11R0.147 COCCC(=O)COCC(=O)N 1458a_100011219004_100000233755 [0,1,0,0,0,0|2,0,0]=3 1497 B11R0.147 COCCC(=O)NCCC(=O)N 11a_100000740010_100000749529 [0,1,0,0,0,0|2,0,0]=3 1498 B11R0.147 COCCC(=O)NCCC(=O)N 240690a_100000740010_100000749529 [0,1,0,0,0,0|2,0,0]=3 1499 B11R0.147 COCCC(=O)NCCC(=O)N 527a_100000740010_100000749529 [0,1,0,0,0,0|2,0,0]=3 1500 B11R0.147 COCCC(=O)NCCC(C)O 240690a_200000755665_100000749529 [0,1,0,0,0,0|2,0,1]=4 1501 B11R0.147 COCCC(=O)NCCC(C)O 527a_200000755665_100000749529 [0,1,0,0,0,0|2,0,1]=4 1502 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [0,1,0,0,0,0|3,0,0]=4 1503 B11R0.147 COCCN(C)CCCC(=O)N 269982a_100000743101_100102525003 [0,1,0,0,0,0|3,0,0]=4 1504 B11R0.147 COCCN(C)CCCC(=O)O 269956a_100000719178_100000233755 [0,1,0,0,0,0|2,0,0]=3 1505 B11R0.147 CSCCC(=O)CCC=C(C)C 1458a_100000174002_100011217483 [0,1,0,0,0,0|2,0,1]=4 1506 B11R0.147 CSCCC(=O)CCC=C(F)F 1458a_100000174002_200009816681 [0,1,0,0,0,0|2,0,1]=4 1507 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,1,0,0,0,0|1,0,0]=2 1508 B11R0.147 CSCCC(=O)CCCC(=O)N 1458a_100000174002_100102525003 [0,1,0,0,0,0|1,0,0]=2 1509 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [0,1,0,0,0,0|2,0,1]=4 1510 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [0,1,0,0,0,0|2,0,1]=4 1511 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [0,1,0,0,0,0|1,0,1]=3 1512 B11R0.147 CSCCC(=O)CCCN(C)C 1458a_100000174002_100000695564 [0,1,0,0,0,0|3,0,0]=4 1513 B11R0.147 CSCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000751147 [0,1,0,0,0,0|1,0,1]=3 1514 B11R0.147 CSCCC(=O)CCN=C(N)N 1458a_100000033030_100000751147 [0,1,0,0,0,0|3,0,0]=4 1515 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000174002_100000189650 [0,1,0,0,0,0|2,0,0]=3 1516 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000183196_100000751147 [0,1,0,0,0,0|2,0,0]=3 1517 B11R0.147 CSCCC(=O)CCNC(=O)N 1458a_100000174002_200000034859 [0,1,0,0,0,0|2,0,0]=3 1518 B11R0.147 CSCCC(=O)CCNC(=O)N 1458a_100000181464_100000751147 [0,1,0,0,0,0|2,0,0]=3 1519 B11R0.147 CSCCC(=O)CCOC(=O)C 1458a_100000174002_100009814007 [0,1,0,0,0,0|2,0,0]=3 1520 B11R0.147 CSCCC(=O)CCOC(=O)N 1458a_100000174002_200011214921 [0,1,0,0,0,0|2,0,0]=3 1521 B11R0.147 CSCCC(=O)CCSC(=O)C 1458a_100000048949_100000751147 [0,1,0,0,0,0|2,0,0]=3 1522 B11R0.147 CSCCC(=O)COCC(=O)N 1458a_100011219004_100000751147 [0,1,0,0,0,0|2,0,0]=3 1523 B11R0.147 CSCCC(=O)NCCC(=O)N 11a_100000740010_100000174002 [0,1,0,0,0,0|2,0,0]=3 1524 B11R0.147 CSCCC(=O)NCCC(=O)N 240690a_100000740010_100000174002 [0,1,0,0,0,0|2,0,0]=3 1525 B11R0.147 CSCCC(=O)NCCC(=O)N 527a_100000740010_100000174002 [0,1,0,0,0,0|2,0,0]=3 1526 B11R0.147 CSCCC(=O)NCCC(C)O 240690a_200000755665_100000174002 [0,1,0,0,0,0|2,0,1]=4 1527 B11R0.147 CSCCC(=O)NCCC(C)O 527a_200000755665_100000174002 [0,1,0,0,0,0|2,0,1]=4 1528 B11R0.147 CSCCN(C)CCCC(=O)C 269982a_100000686725_100011215641 [0,1,0,0,0,0|3,0,0]=4 1529 B11R0.147 CSCCN(C)CCCC(=O)N 269982a_100000686725_100102525003 [0,1,0,0,0,0|3,0,0]=4 1530 B11R0.147 CSCCN(C)CCCC(=O)O 269956a_100000719178_100000212216 [0,1,0,0,0,0|2,0,0]=3 1531 B11R0.147 N#CCCC(=O)CCCC(=O)N 1458a_100011934036_100102525003 [0,1,0,0,0,0|1,0,1]=3 1532 B11R0.147 N#CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215226 [0,1,0,0,0,0|1,0,2]=4 1533 B11R0.147 N#CCCC(=O)CCNC(=O)N 1458a_100000181464_100011215226 [0,1,0,0,0,0|2,0,1]=4 1534 B11R0.147 N#CCCC(=O)CCNC(=O)N 1458a_100011934036_200000034859 [0,1,0,0,0,0|2,0,1]=4 1535 B11R0.147 N#CCCC(=O)CCOC(=O)N 1458a_100011934036_200011214921 [0,1,0,0,0,0|2,0,1]=4 1536 B11R0.147 N#CCCC(=O)COCC(=O)N 1458a_100011219004_100011215226 [0,1,0,0,0,0|2,0,1]=4 1537 B11R0.147 N#CCCC(=O)NCCC(=O)N 11a_100000740010_100011934036 [0,1,0,0,0,0|2,0,1]=4 1538 B11R0.147 N#CCCC(=O)NCCC(=O)N 240690a_100000740010_100011934036 [0,1,0,0,0,0|2,0,1]=4 1539 B11R0.147 N#CCCC(=O)NCCC(=O)N 527a_100000740010_100011934036 [0,1,0,0,0,0|2,0,1]=4 1540 B11R0.147 N#CCNC(=O)CNCC(=O)O 269956a_100016091260_100000736037 [0,1,0,0,0,0|2,0,1]=4 1541 B11R0.147 NC(=NCCC(=O)CCCF)N 1458a_100000033030_100011934791 [0,1,0,0,0,0|3,0,0]=4 1542 B11R0.147 NC(=NCCC(=O)CCCO)N 1458a_100000033030_100011215043 [0,1,0,0,0,0|3,0,0]=4 1543 B11R0.147 NC(=O)CCCC(=O)C#CCO 1458a_100000049017_100102525003 [0,1,0,0,0,0|1,0,2]=4 1544 B11R0.147 NC(=O)CCNC(=O)NCCF 273464a_100000724931_100000740010 [0,1,0,0,0,0|3,0,0]=4 1545 B11R0.147 NC(=O)CCNC(=O)NCCF 273464a_100000740010_100000724931 [0,1,0,0,0,0|3,0,0]=4 1546 B11R0.147 NC(=O)CCNC(=O)NCCO 273464a_100000210304_100000740010 [0,1,0,0,0,0|3,0,0]=4 1547 B11R0.147 NC(=O)CCNC(=O)NCCO 273464a_100000740010_100000210304 [0,1,0,0,0,0|3,0,0]=4 1548 B11R0.147 NC(=O)CNCC(=O)NCCF 2230a_100000725713_100000747473 [0,1,0,0,0,0|3,0,0]=4 1549 B11R0.147 NC(=O)COCC(=O)CCCF 1458a_100011219004_100011934791 [0,1,0,0,0,0|2,0,0]=3 1550 B11R0.147 NC(=O)COCC(=O)CCCO 1458a_100011219004_100011215043 [0,1,0,0,0,0|2,0,0]=3 1551 B11R0.147 NC(=O)COCC(=O)NCCF 1626a_100000724931_100011219004 [0,1,0,0,0,0|3,0,0]=4 1552 B11R0.147 NC(=O)COCC(=O)NCCF 240690a_100000724931_100011219004 [0,1,0,0,0,0|3,0,0]=4 1553 B11R0.147 NC(=O)COCC(=O)NCCF 527a_100000724931_100011219004 [0,1,0,0,0,0|3,0,0]=4 1554 B11R0.147 NC(=O)COCC(=O)NCCO 240690a_100000210304_100011219004 [0,1,0,0,0,0|3,0,0]=4 1555 B11R0.147 NC(=O)COCC(=O)NCCO 527a_100000210304_100011219004 [0,1,0,0,0,0|3,0,0]=4 1556 B11R0.147 NC(=O)CSCC(=O)NCCF 11a_100000724931_100000150265 [0,1,0,0,0,0|3,0,0]=4 1557 B11R0.147 NC(=O)CSCC(=O)NCCF 240690a_100000724931_100000150265 [0,1,0,0,0,0|3,0,0]=4 1558 B11R0.147 NC(=O)CSCC(=O)NCCF 527a_100000724931_100000150265 [0,1,0,0,0,0|3,0,0]=4 1559 B11R0.147 NC(=O)CSCC(=O)NCCO 240690a_100000210304_100000150265 [0,1,0,0,0,0|3,0,0]=4 1560 B11R0.147 NC(=O)CSCC(=O)NCCO 527a_100000210304_100000150265 [0,1,0,0,0,0|3,0,0]=4 1561 B11R0.147 NC(=O)NCCC(=O)CCCF 1458a_100000181464_100011934791 [0,1,0,0,0,0|2,0,0]=3 1562 B11R0.147 NC(=O)NCCC(=O)CCCO 1458a_100000181464_100011215043 [0,1,0,0,0,0|2,0,0]=3 1563 B11R0.147 NC(=O)NCCC(=O)NCCF 240690a_100000724931_100000181464 [0,1,0,0,0,0|3,0,0]=4 1564 B11R0.147 NC(=O)NCCC(=O)NCCF 527a_100000724931_100000181464 [0,1,0,0,0,0|3,0,0]=4 1565 B11R0.147 NC(=O)NCCC(=O)NCCO 240690a_100000210304_100000181464 [0,1,0,0,0,0|3,0,0]=4 1566 B11R0.147 NC(=O)NCCC(=O)NCCO 527a_100000210304_100000181464 [0,1,0,0,0,0|3,0,0]=4 1567 B11R0.147 O=C(CCCF)CCC[N+](=O)[O-] 1458a_100016109205_100011934791 [0,1,0,0,0,0|1,0,1]=3 1568 B11R0.147 O=C(CCCO)CCC[N+](=O)[O-] 1458a_100016109205_100011215043 [0,1,0,0,0,0|1,0,1]=3 1569 B11R0.147 O=C(CCC[N+](=O)[O-])NCCF 11a_100000724931_100016109205 [0,1,0,0,0,0|2,0,1]=4 1570 B11R0.147 O=C(CCC[N+](=O)[O-])NCCF 1626a_100000724931_100016109205 [0,1,0,0,0,0|2,0,1]=4 1571 B11R0.147 O=C(CCC[N+](=O)[O-])NCCF 240690a_100000724931_100016109205 [0,1,0,0,0,0|2,0,1]=4 1572 B11R0.147 O=C(CCC[N+](=O)[O-])NCCF 527a_100000724931_100016109205 [0,1,0,0,0,0|2,0,1]=4 1573 B11R0.147 O=C(CCC[N+](=O)[O-])NCCO 240690a_100000210304_100016109205 [0,1,0,0,0,0|2,0,1]=4 1574 B11R0.147 O=C(CCC[N+](=O)[O-])NCCO 527a_100000210304_100016109205 [0,1,0,0,0,0|2,0,1]=4 1575 B11R0.174 C#CC(=O)CCCC(=O)OCC 1458a_100000211873_100011215271 [0,1,0,0,0,0|2,0,0]=3 1576 B11R0.174 C#CC(=O)CCNC(=O)OCC 1458a_100000211873_200011445536 [0,1,0,0,0,0|3,0,0]=4 1577 B11R0.174 C#CCC(=O)CCCC(=O)NC 1458a_100011220946_100000741757 [0,1,0,0,0,0|1,0,2]=4 1578 B11R0.174 C#CCC(=O)CCCC(=O)OC 1458a_100000239890_100000184674 [0,1,0,0,0,0|0,0,2]=3 1579 B11R0.174 C#CCC(=O)CCCC(=O)OC 1458a_100011220946_100011218270 [0,1,0,0,0,0|0,0,2]=3 1580 B11R0.174 C#CCC(=O)CSCC(=O)OC 1458a_100000191316_100000184674 [0,1,0,0,0,0|1,0,2]=4 1581 B11R0.174 C#CCC(=O)NCCC(=O)OC 188690a_100000683876_100011220946 [0,1,0,0,0,0|1,0,2]=4 1582 B11R0.174 C=C(C#N)CSCC(=O)CCC 62a_100000747444_100000694840 [0,1,0,0,0,0|3,0,0]=4 1583 B11R0.174 C=CC(=O)CCCC(=O)OCC 1458a_100000185746_100011215271 [0,1,0,0,0,0|2,0,0]=3 1584 B11R0.174 C=CC(=O)CCNC(=O)OCC 1458a_100000185746_200011445536 [0,1,0,0,0,0|3,0,0]=4 1585 B11R0.174 C=CC(=O)NCCC(=O)NCC 1626a_100025743525_100000185746 [0,1,0,0,0,0|3,0,0]=4 1586 B11R0.174 C=CC(=O)NCCC(=O)NCC 240690a_100025743525_200121576911 [0,1,0,0,0,0|3,0,0]=4 1587 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000065099_100000210303 [0,1,0,0,0,0|2,0,0]=3 1588 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000211992_100009813456 [0,1,0,0,0,0|2,0,0]=3 1589 B11R0.174 C=CC(=O)OCCC(=O)CCF 1458a_100000065099_100011217306 [0,1,0,0,0,0|3,0,0]=4 1590 B11R0.174 C=CC(=O)OCCC(=O)CCO 1458a_100000065099_100000211926 [0,1,0,0,0,0|3,0,0]=4 1591 B11R0.174 C=CC(=O)OCCC(=O)CCO 1458a_100011216618_100009813456 [0,1,0,0,0,0|3,0,0]=4 1592 B11R0.174 C=CC(=O)OCCC(=O)COC 1458a_100000210968_100009813456 [0,1,0,0,0,0|3,0,0]=4 1593 B11R0.174 C=CC(=O)OCCC(=O)CSC 1458a_100000184570_100009813456 [0,1,0,0,0,0|3,0,0]=4 1594 B11R0.174 C=CC(=O)OCCC(=O)NCC 240690a_100015525214_100000065099 [0,1,0,0,0,0|3,0,0]=4 1595 B11R0.174 C=CC(O)CSCC(=O)CCC 62a_100000730141_100000747444 [0,1,0,0,0,0|2,0,1]=4 1596 B11R0.174 C=CC(O)CSCC(=O)CCC 62a_100000747444_100000730141 [0,1,0,0,0,0|2,0,1]=4 1597 B11R0.174 C=CCC(=O)CCCC(=O)NC 1458a_100000210193_100000741757 [0,1,0,0,0,0|1,0,2]=4 1598 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000210193_100011218270 [0,1,0,0,0,0|0,0,2]=3 1599 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210623 [0,1,0,0,0,0|0,0,2]=3 1600 B11R0.174 C=CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210623 [0,1,0,0,0,0|1,0,2]=4 1601 B11R0.174 C=CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210193 [0,1,0,0,0,0|1,0,2]=4 1602 B11R0.174 CC#CC(=O)CCCC(=O)NC 1458a_100000763181_100000741757 [0,1,0,0,0,0|1,0,2]=4 1603 B11R0.174 CC#CC(=O)CCCC(=O)OC 1458a_100000763181_100011218270 [0,1,0,0,0,0|0,0,2]=3 1604 B11R0.174 CC=CC(=O)CCCC(=O)NC 1458a_100000210699_100000741757 [0,1,0,0,0,0|1,0,2]=4 1605 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [0,1,0,0,0,0|0,0,2]=3 1606 B11R0.174 CC=CC(=O)NCCC(=O)OC 188690a_100000683876_100000210699 [0,1,0,0,0,0|1,0,2]=4 1607 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,1,0,0,0,0|1,0,0]=2 1608 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,0|0,0,0]=1 1609 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,0|0,0,0]=1 1610 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,1,0,0,0,0|3,0,0]=4 1611 B11R0.174 CCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210303 [0,1,0,0,0,0|2,0,0]=3 1612 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,1,0,0,0,0|2,0,0]=3 1613 B11R0.174 CCCC(=O)CNCC(=O)NC 2230a_100000693194_100000747444 [0,1,0,0,0,0|2,0,0]=3 1614 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,1,0,0,0,0|2,0,1]=4 1615 B11R0.174 CCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747444 [0,1,0,0,0,0|2,0,1]=4 1616 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,1,0,0,0,0|1,0,2]=4 1617 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [0,1,0,0,0,0|2,0,0]=3 1618 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [0,1,0,0,0,0|2,0,0]=3 1619 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000183359_100000747444 [0,1,0,0,0,0|2,0,0]=3 1620 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000747444_100000183359 [0,1,0,0,0,0|2,0,0]=3 1621 B11R0.174 CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210303 [0,1,0,0,0,0|1,0,0]=2 1622 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747444_100000747449 [0,1,0,0,0,0|1,0,0]=2 1623 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747449_100000747444 [0,1,0,0,0,0|1,0,0]=2 1624 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,1,0,0,0,0|2,0,1]=4 1625 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,1,0,0,0,0|2,0,1]=4 1626 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,1,0,0,0,0|1,0,2]=4 1627 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,1,0,0,0,0|1,0,2]=4 1628 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,1,0,0,0,0|2,0,1]=4 1629 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,1,0,0,0,0|2,0,1]=4 1630 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100000747444_100015614560 [0,1,0,0,0,0|2,0,1]=4 1631 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747444 [0,1,0,0,0,0|2,0,1]=4 1632 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,1,0,0,0,0|1,0,2]=4 1633 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,1,0,0,0,0|1,0,2]=4 1634 B11R0.174 CCCC(=O)NCCC(=O)NC 11a_100000738227_100000211992 [0,1,0,0,0,0|2,0,0]=3 1635 B11R0.174 CCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211992 [0,1,0,0,0,0|2,0,0]=3 1636 B11R0.174 CCCC(=O)NCCC(=O)NC 527a_100000738227_100000211992 [0,1,0,0,0,0|2,0,0]=3 1637 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [0,1,0,0,0,0|1,0,0]=2 1638 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,1,0,0,0,0|2,0,1]=4 1639 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,1,0,0,0,0|2,0,1]=4 1640 B11R0.174 CCCC(=O)NN=CC(=O)OC 4a_100000189770_200011823558 [0,1,0,0,0,0|2,0,1]=4 1641 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [0,1,0,0,0,0|2,0,1]=4 1642 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [0,1,0,0,0,0|2,0,1]=4 1643 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [0,1,0,0,0,0|2,0,1]=4 1644 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [0,1,0,0,0,0|2,0,1]=4 1645 B11R0.174 CCCC(C)NCCC(=O)OC 2230a_100000741246_100000204255 [0,1,0,0,0,0|2,0,1]=4 1646 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [0,1,0,0,0,0|2,0,1]=4 1647 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [0,1,0,0,0,0|2,0,1]=4 1648 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000204255_100000766640 [0,1,0,0,0,0|2,0,1]=4 1649 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000766640_100000204255 [0,1,0,0,0,0|2,0,1]=4 1650 B11R0.174 CCCN(C)CCCC(=O)NC 2230a_100000747261_100000741757 [0,1,0,0,0,0|3,0,0]=4 1651 B11R0.174 CCCN(C)CCCC(=O)NC 269982a_100000747261_100000741757 [0,1,0,0,0,0|3,0,0]=4 1652 B11R0.174 CCCN(C)CCCC(=O)OC 2230a_100000747261_100011218270 [0,1,0,0,0,0|2,0,0]=3 1653 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000739225_100000210303 [0,1,0,0,0,0|2,0,0]=3 1654 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000747261_100011218270 [0,1,0,0,0,0|2,0,0]=3 1655 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [0,1,0,0,0,0|2,0,1]=4 1656 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,1,0,0,0,0|2,0,0]=3 1657 B11R0.174 CCNC(=O)CCCC(=O)CF 1458a_100000199580_100015361967 [0,1,0,0,0,0|2,0,0]=3 1658 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,1,0,0,0,0|2,0,0]=3 1659 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,1,0,0,0,0|2,0,0]=3 1660 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,1,0,0,0,0|2,0,0]=3 1661 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,1,0,0,0,0|2,0,0]=3 1662 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,1,0,0,0,0|1,0,0]=2 1663 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,1,0,0,0,0|1,0,0]=2 1664 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,1,0,0,0,0|1,0,0]=2 1665 B11R0.174 CCNC(=O)CCCN(C)N=O 11a_100015525214_200000076914 [0,1,0,0,0,0|3,0,0]=4 1666 B11R0.174 CCNC(=O)CCCN(C)N=O 240690a_100015525214_200000076914 [0,1,0,0,0,0|3,0,0]=4 1667 B11R0.174 CCNC(=O)CCCN(C)N=O 527a_100015525214_200000076914 [0,1,0,0,0,0|3,0,0]=4 1668 B11R0.174 CCNC(=O)CCNC(=O)CC 11a_100025743525_100000210414 [0,1,0,0,0,0|3,0,0]=4 1669 B11R0.174 CCNC(=O)CCNC(=O)CC 1626a_100025743525_100000210414 [0,1,0,0,0,0|3,0,0]=4 1670 B11R0.174 CCNC(=O)CCNC(=O)CC 240690a_100025743525_100000210414 [0,1,0,0,0,0|3,0,0]=4 1671 B11R0.174 CCNC(=O)CCNC(=O)CC 527a_100025743525_100000210414 [0,1,0,0,0,0|3,0,0]=4 1672 B11R0.174 CCNC(=O)CCNC(=O)CO 240690a_100025743525_100000210174 [0,1,0,0,0,0|2,0,0]=3 1673 B11R0.174 CCNC(=O)CCNC(=O)CO 527a_100025743525_100000210174 [0,1,0,0,0,0|2,0,0]=3 1674 B11R0.174 CCNC(=O)CCNC(=O)NC 2708a_100102657272_100025743525 [0,1,0,0,0,0|3,0,0]=4 1675 B11R0.174 CCNC(=O)CCNC(=O)NC 273464a_100025743525_100102657272 [0,1,0,0,0,0|3,0,0]=4 1676 B11R0.174 CCNC(=O)CCNC(=O)NC 273464a_100102657272_100025743525 [0,1,0,0,0,0|3,0,0]=4 1677 B11R0.174 CCNC(=O)CCNC(=O)NC 512a_100025743525_100102657272 [0,1,0,0,0,0|3,0,0]=4 1678 B11R0.174 CCNC(=O)CCNC(=O)NC 512a_106832991638_100025743525 [0,1,0,0,0,0|3,0,0]=4 1679 B11R0.174 CCNC(=O)CNCC(=O)NC 2230a_100000693194_100000183381 [0,1,0,0,0,0|3,0,0]=4 1680 B11R0.174 CCNC(=O)CNCC(=O)NC 2230a_100016988866_100000183359 [0,1,0,0,0,0|3,0,0]=4 1681 B11R0.174 CCNC(=O)CNCC(=O)OC 2230a_100016988866_100000747449 [0,1,0,0,0,0|2,0,0]=3 1682 B11R0.174 CCNC(=O)COCC(=O)CC 34a_100000725409_100000183381 [0,1,0,0,0,0|3,0,0]=4 1683 B11R0.174 CCNC(=O)COCC(=O)NC 34a_100000750040_100000183381 [0,1,0,0,0,0|3,0,0]=4 1684 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000183381_100000747405 [0,1,0,0,0,0|3,0,0]=4 1685 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000747405_100000183381 [0,1,0,0,0,0|3,0,0]=4 1686 B11R0.174 CCNC(=O)CSCC(=O)NC 62a_100000183359_100000183381 [0,1,0,0,0,0|3,0,0]=4 1687 B11R0.174 CCNC(=O)CSCC(=O)NC 62a_100000183381_100000183359 [0,1,0,0,0,0|3,0,0]=4 1688 B11R0.174 CCNC(=O)CSCC(=O)OC 11a_100015525214_100000191316 [0,1,0,0,0,0|2,0,0]=3 1689 B11R0.174 CCNC(=O)CSCC(=O)OC 240690a_100015525214_100000191316 [0,1,0,0,0,0|2,0,0]=3 1690 B11R0.174 CCNC(=O)CSCC(=O)OC 62a_100000183381_100000747449 [0,1,0,0,0,0|2,0,0]=3 1691 B11R0.174 CCNC(=O)CSCC(=O)OC 62a_100000747449_100000183381 [0,1,0,0,0,0|2,0,0]=3 1692 B11R0.174 CCNC(=O)NCCC(=O)NC 2708a_100015525214_100000738227 [0,1,0,0,0,0|3,0,0]=4 1693 B11R0.174 CCNC(=O)NCCC(=O)NC 273464a_100000738227_100015525214 [0,1,0,0,0,0|3,0,0]=4 1694 B11R0.174 CCNC(=O)NCCC(=O)NC 273464a_100015525214_100000738227 [0,1,0,0,0,0|3,0,0]=4 1695 B11R0.174 CCNC(=O)NCCC(=O)NC 512a_100000738227_100015525214 [0,1,0,0,0,0|3,0,0]=4 1696 B11R0.174 CCNC(=O)NCCC(=O)NC 512a_100015525214_100000738227 [0,1,0,0,0,0|3,0,0]=4 1697 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,1,0,0,0,0|2,0,0]=3 1698 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,1,0,0,0,0|2,0,0]=3 1699 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,1,0,0,0,0|2,0,0]=3 1700 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,1,0,0,0,0|1,0,0]=2 1701 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,1,0,0,0,0|2,0,0]=3 1702 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,1,0,0,0,0|2,0,0]=3 1703 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,1,0,0,0,0|2,0,0]=3 1704 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,1,0,0,0,0|2,0,0]=3 1705 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,1,0,0,0,0|3,0,0]=4 1706 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,1,0,0,0,0|2,0,0]=3 1707 B11R0.174 CCOC(=O)CNCC(=O)NC 2230a_100000693194_100000188475 [0,1,0,0,0,0|3,0,0]=4 1708 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,1,0,0,0,0|3,0,0]=4 1709 B11R0.174 CCOC(=O)COCC(=O)NC 34a_100000750040_100000188475 [0,1,0,0,0,0|3,0,0]=4 1710 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,1,0,0,0,0|3,0,0]=4 1711 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,1,0,0,0,0|3,0,0]=4 1712 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000183359_100000188475 [0,1,0,0,0,0|3,0,0]=4 1713 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000188475_100000183359 [0,1,0,0,0,0|3,0,0]=4 1714 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000188475_100000747449 [0,1,0,0,0,0|2,0,0]=3 1715 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000747449_100000188475 [0,1,0,0,0,0|2,0,0]=3 1716 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,1,0,0,0,0|3,0,0]=4 1717 B11R0.174 CCOC(=O)NCCC(=O)CO 1458a_100000210174_200011445536 [0,1,0,0,0,0|2,0,0]=3 1718 B11R0.174 CN(CCCC(=O)CCF)N=O 1458a_200000076914_100011217306 [0,1,0,0,0,0|3,0,0]=4 1719 B11R0.174 CN(CCCC(=O)CCO)N=O 1458a_200000076914_100000211926 [0,1,0,0,0,0|3,0,0]=4 1720 B11R0.174 CNC(=O)CCCC(=O)CC#N 1458a_100051588842_100000741757 [0,1,0,0,0,0|2,0,1]=4 1721 B11R0.174 CNC(=O)CCCC(=O)CCO 1458a_100011216618_100000741757 [0,1,0,0,0,0|2,0,0]=3 1722 B11R0.174 CNC(=O)CCCC(=O)COC 1458a_100000210968_100000741757 [0,1,0,0,0,0|2,0,0]=3 1723 B11R0.174 CNC(=O)CCCC(=O)CSC 1458a_100000184570_100000741757 [0,1,0,0,0,0|2,0,0]=3 1724 B11R0.174 CNC(=O)CCNC(=O)CCO 240690a_100000738227_100011216618 [0,1,0,0,0,0|3,0,0]=4 1725 B11R0.174 CNC(=O)CCNC(=O)COC 11a_100000738227_100000210968 [0,1,0,0,0,0|3,0,0]=4 1726 B11R0.174 CNC(=O)CCNC(=O)COC 240690a_100000738227_100000210968 [0,1,0,0,0,0|3,0,0]=4 1727 B11R0.174 CNC(=O)CCNC(=O)COC 527a_100000738227_100000210968 [0,1,0,0,0,0|3,0,0]=4 1728 B11R0.174 CNC(=O)CCNC(=O)CSC 11a_100000738227_100000184570 [0,1,0,0,0,0|3,0,0]=4 1729 B11R0.174 CNC(=O)CCNC(=O)CSC 240690a_100000738227_100000184570 [0,1,0,0,0,0|3,0,0]=4 1730 B11R0.174 CNC(=O)CCNC(=O)CSC 527a_100000738227_100000184570 [0,1,0,0,0,0|3,0,0]=4 1731 B11R0.174 CNC(=O)OCCC(=O)CCO 1458a_100011216618_200011997002 [0,1,0,0,0,0|3,0,0]=4 1732 B11R0.174 CNC(=O)OCCC(=O)COC 1458a_100000210968_200011997002 [0,1,0,0,0,0|3,0,0]=4 1733 B11R0.174 CNC(=O)OCCC(=O)CSC 1458a_100000184570_200011997002 [0,1,0,0,0,0|3,0,0]=4 1734 B11R0.174 CNCC(=O)NCCC(=O)OC 2230a_106832991635_100000230212 [0,1,0,0,0,0|2,0,0]=3 1735 B11R0.174 CNCC(=O)NCCC(=O)OC 34a_100102657272_100000230212 [0,1,0,0,0,0|2,0,0]=3 1736 B11R0.174 CNCC(=O)NCCC(=O)OC 7a_106832991635_100000230212 [0,1,0,0,0,0|2,0,0]=3 1737 B11R0.174 CNNC(=O)CCCC(=O)OC 22a_100016993582_100000239890 [0,1,0,0,0,0|2,0,0]=3 1738 B11R0.174 CNNC(=O)CSCC(=O)OC 22a_100016993582_100000191316 [0,1,0,0,0,0|3,0,0]=4 1739 B11R0.174 COC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011218270 [0,1,0,0,0,0|1,0,2]=4 1740 B11R0.174 COC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011218270 [0,1,0,0,0,0|1,0,2]=4 1741 B11R0.174 COC(=O)CCCC(=O)C=CI 1458a_100016256311_100011218270 [0,1,0,0,0,0|1,0,2]=4 1742 B11R0.174 COC(=O)CCCC(=O)CC#N 1458a_100000239890_100011214920 [0,1,0,0,0,0|1,0,1]=3 1743 B11R0.174 COC(=O)CCCC(=O)CC#N 1458a_100051588842_100011218270 [0,1,0,0,0,0|1,0,1]=3 1744 B11R0.174 COC(=O)CCCC(=O)CCF 1458a_100000239890_100011217306 [0,1,0,0,0,0|1,0,0]=2 1745 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100000239890_100000211926 [0,1,0,0,0,0|1,0,0]=2 1746 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100011216618_100011218270 [0,1,0,0,0,0|1,0,0]=2 1747 B11R0.174 COC(=O)CCCC(=O)CSC 1458a_100000184570_100011218270 [0,1,0,0,0,0|1,0,0]=2 1748 B11R0.174 COC(=O)CCCN(C)CCF 269982a_100000739225_100011217306 [0,1,0,0,0,0|3,0,0]=4 1749 B11R0.174 COC(=O)CCCN(C)CCO 2230a_100000210263_100011218270 [0,1,0,0,0,0|3,0,0]=4 1750 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000210263_100011218270 [0,1,0,0,0,0|3,0,0]=4 1751 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000739225_100000211926 [0,1,0,0,0,0|3,0,0]=4 1752 B11R0.174 COC(=O)CCCN(C)CSC 269982a_100000739225_100011218213 [0,1,0,0,0,0|3,0,0]=4 1753 B11R0.174 COC(=O)CCNC(=O)CSC 188690a_100000683876_100000184570 [0,1,0,0,0,0|2,0,0]=3 1754 B11R0.174 COC(=O)CCNC(=O)CSC 62a_100000230212_200000210301 [0,1,0,0,0,0|2,0,0]=3 1755 B11R0.174 COC(=O)CCNC(=O)CSC 62a_200000210301_100000230212 [0,1,0,0,0,0|2,0,0]=3 1756 B11R0.174 COC(=O)CCNC(=O)CS[13CH3] 62a_100000230212_200025704644 [0,1,0,0,0,0|2,0,0]=3 1757 B11R0.174 COC(=O)CCNC(=O)CS[13CH3] 62a_200025704644_100000230212 [0,1,0,0,0,0|2,0,0]=3 1758 B11R0.174 COC(=O)CSCC(=O)CC#N 1458a_100000191316_100011214920 [0,1,0,0,0,0|2,0,1]=4 1759 B11R0.174 COC(=O)CSCC(=O)CCF 1458a_100000191316_100011217306 [0,1,0,0,0,0|2,0,0]=3 1760 B11R0.174 COC(=O)CSCC(=O)CCO 1458a_100000191316_100000211926 [0,1,0,0,0,0|2,0,0]=3 1761 B11R0.174 COC(=O)CSCC(=O)NCO 62a_100000185155_100000747449 [0,1,0,0,0,0|3,0,0]=4 1762 B11R0.174 COC(=O)CSCC(=O)NCO 62a_100000747449_100000185155 [0,1,0,0,0,0|3,0,0]=4 1763 B11R0.174 COCC(=O)CCCC(=O)OC 1458a_100000210968_100011218270 [0,1,0,0,0,0|1,0,0]=2 1764 B11R0.174 COCC(=O)NCCC(=O)OC 188690a_100000683876_100000210968 [0,1,0,0,0,0|2,0,0]=3 1765 B11R0.174 COCC(=O)NCCC(=O)OC 34a_100138415774_100000230212 [0,1,0,0,0,0|2,0,0]=3 1766 B11R0.174 COCN(C)CCCC(=O)OC 269982a_100000739225_100000766300 [0,1,0,0,0,0|3,0,0]=4 1767 B11R0.180 CCCC(=O)CCCC(F)(F)F 1458a_100000211992_100011216173 [0,1,0,0,0,0|2,0,1]=4 1768 B11R0.180 CCCC(=O)CCCC(F)(F)F 1458a_100000764234_100000210303 [0,1,0,0,0,0|2,0,1]=4 1769 B11R0.180 CCCC(=O)CCCS(=O)(=O)C 1458a_100000211992_100000754308 [0,1,0,0,0,0|1,0,1]=3 1770 B11R0.180 CCCC(=O)CCCS(=O)(=O)N 1458a_100000211992_100000750626 [0,1,0,0,0,0|1,0,1]=3 1771 B11R0.180 CCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210303 [0,1,0,0,0,0|1,0,1]=3 1772 B11R0.180 CCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000211992_100009813499 [0,1,0,0,0,0|1,0,1]=3 1773 B11R0.180 CCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210303 [0,1,0,0,0,0|3,0,0]=4 1774 B11R0.180 CCCC(=O)CCC[N+](C)(C)C 1458a_100000211992_100016990835 [0,1,0,0,0,0|3,0,0]=4 1775 B11R0.180 CCCC(=O)CCC[Si](C)(C)C 1458a_100000211992_100011219597 [0,1,0,0,0,0|2,1,0]=4 1776 B11R0.180 CCCC(=O)CCNS(=O)(=O)C 1458a_100000165793_100000210303 [0,1,0,0,0,0|2,0,1]=4 1777 B11R0.180 CCCC(=O)CCNS(=O)(=O)C 1458a_100000211992_100000754112 [0,1,0,0,0,0|2,0,1]=4 1778 B11R0.180 CCCC(=O)CCOS(=O)(=O)C 1458a_100000211992_200000036756 [0,1,0,0,0,0|2,0,1]=4 1779 B11R0.180 CCCC(=O)CNCC(C)(C)O 2230a_100000751335_100000747444 [0,1,0,0,0,0|2,0,1]=4 1780 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000747444_100000764493 [0,1,0,0,0,0|2,0,1]=4 1781 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000764493_100000747444 [0,1,0,0,0,0|2,0,1]=4 1782 B11R0.180 CCCC(=O)CSCS(=O)(=O)N 62a_100000741382_100000747444 [0,1,0,0,0,0|2,0,1]=4 1783 B11R0.180 CCCC(=O)CSCS(=O)(=O)N 62a_100000747444_100000741382 [0,1,0,0,0,0|2,0,1]=4 1784 B11R0.180 CCCC(=O)CSCS(=O)(=O)[O-] 62a_100000747444_100009817235 [0,1,0,0,0,0|2,0,1]=4 1785 B11R0.180 CCCC(=O)CSCS(=O)(=O)[O-] 62a_100009817235_100000747444 [0,1,0,0,0,0|2,0,1]=4 1786 B11R0.180 CCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000211992 [0,1,0,0,0,0|2,0,1]=4 1787 B11R0.180 CCCC(=O)NCCC(C)(C)O 527a_100000707701_100000211992 [0,1,0,0,0,0|2,0,1]=4 1788 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000211992 [0,1,0,0,0,0|2,0,1]=4 1789 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000211992 [0,1,0,0,0,0|2,0,1]=4 1790 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000211992 [0,1,0,0,0,0|2,0,1]=4 1791 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000211992 [0,1,0,0,0,0|2,0,1]=4 1792 B11R0.180 CCCC(=O)NCCS(=O)(=O)N 240690a_100000738205_100000211992 [0,1,0,0,0,0|2,0,1]=4 1793 B11R0.180 CCCC(=O)NCCS(=O)(=O)N 527a_100000738205_100000211992 [0,1,0,0,0,0|2,0,1]=4 1794 B11R0.180 CCNC(=O)CCCS(=O)(=O)N 240690a_100015525214_100000739357 [0,1,0,0,0,0|2,0,1]=4 1795 B11R0.180 COCC(=O)CCCS(=O)(=O)C 1458a_100000210968_100000754308 [0,1,0,0,0,0|2,0,1]=4 1796 B11R0.180 COCC(=O)CCCS(=O)(=O)N 1458a_100000210968_100000750626 [0,1,0,0,0,0|2,0,1]=4 1797 B11R0.180 COCC(=O)CCCS(=O)(=O)[O-] 1458a_100000210968_100009813499 [0,1,0,0,0,0|2,0,1]=4 1798 B11R0.180 CS(=O)(=O)CCCC(=O)CCO 1458a_100011216618_100000754308 [0,1,0,0,0,0|2,0,1]=4 1799 B11R0.180 CSCC(=O)CCCS(=O)(=O)C 1458a_100000184570_100000754308 [0,1,0,0,0,0|2,0,1]=4 1800 B11R0.180 CSCC(=O)CCCS(=O)(=O)N 1458a_100000184570_100000750626 [0,1,0,0,0,0|2,0,1]=4 1801 B11R0.180 CSCC(=O)CCCS(=O)(=O)[O-] 1458a_100000184570_100009813499 [0,1,0,0,0,0|2,0,1]=4 1802 B11R0.180 NS(=O)(=O)CCCC(=O)CCF 1458a_100000739357_100011217306 [0,1,0,0,0,0|2,0,1]=4 1803 B11R0.180 NS(=O)(=O)CCCC(=O)CCO 1458a_100000739357_100000211926 [0,1,0,0,0,0|2,0,1]=4 1804 B11R0.180 NS(=O)(=O)CCCC(=O)CCO 1458a_100011216618_100000750626 [0,1,0,0,0,0|2,0,1]=4 1805 B11R0.180 O=C(CCO)CCCS(=O)(=O)[O-] 1458a_100011216618_100009813499 [0,1,0,0,0,0|2,0,1]=4 1806 B11R1.15 C#CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000184674 [0,0,0,1,0,0|1,0,2]=4 1807 B11R1.15 C#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000184674 [0,0,0,1,0,0|0,0,2]=3 1808 B11R1.15 C=CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210623 [0,0,0,1,0,0|1,0,2]=4 1809 B11R1.15 C=CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210623 [0,0,0,1,0,0|0,0,2]=3 1810 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,0,0,1,0,0|1,0,0]=2 1811 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,0,0,1,0,0|1,0,1]=3 1812 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [0,0,0,1,0,0|3,0,0]=4 1813 B11R1.15 CCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210303 [0,0,0,1,0,0|2,0,0]=3 1814 B11R1.15 CCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210303 [0,0,0,1,0,0|2,0,0]=3 1815 B11R1.15 CCCC(=O)C1CSC(=N1)N 1458a_100000002200_100000210303 [0,0,0,1,0,0|3,0,0]=4 1816 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,0,0,1,0,0|2,0,1]=4 1817 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,0,0,1,0,0|2,0,1]=4 1818 B11R1.15 CCCC(=O)N1CNC(=O)C1 11a_200000708111_100000211992 [0,0,0,1,0,0|3,0,0]=4 1819 B11R1.15 CCCC(=O)N1CNC(=O)C1 1626a_200000708111_100000211992 [0,0,0,1,0,0|3,0,0]=4 1820 B11R1.15 CCCC(=O)N1CNC(=O)C1 240690a_200000708111_100000211992 [0,0,0,1,0,0|3,0,0]=4 1821 B11R1.15 CCCC(=O)N1CNC(=O)C1 527a_200000708111_100000211992 [0,0,0,1,0,0|3,0,0]=4 1822 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,0,0,1,0,0|0,0,0]=1 1823 B11R1.15 CCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210303 [0,0,0,1,0,0|2,0,0]=3 1824 B11R1.15 CCNC(=O)C1CCC(=O)N1 240690a_100015525214_100000210400 [0,0,0,1,0,0|2,0,0]=3 1825 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,0,0,1,0,0|2,0,1]=4 1826 B11R1.15 CCNC(=O)C1CNC(=O)C1 11a_100015525214_100000747279 [0,0,0,1,0,0|3,0,0]=4 1827 B11R1.15 CCNC(=O)C1CNC(=O)C1 240690a_100015525214_100000747279 [0,0,0,1,0,0|3,0,0]=4 1828 B11R1.15 CCNC(=O)C1CNC(=O)C1 527a_100015525214_100000747279 [0,0,0,1,0,0|3,0,0]=4 1829 B11R1.15 CCNC(=O)C1CNC(=O)N1 11a_100015525214_100000033324 [0,0,0,1,0,0|3,0,0]=4 1830 B11R1.15 CCNC(=O)C1CNC(=O)N1 240690a_100015525214_100000033324 [0,0,0,1,0,0|3,0,0]=4 1831 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [0,0,0,1,0,0|1,0,0]=2 1832 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [0,0,0,1,0,0|1,0,0]=2 1833 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [0,0,0,1,0,0|1,0,0]=2 1834 B11R1.15 CCNC(=O)[C@@H]1CSC(=O)N1 240690a_100015525214_100000735014 [0,0,0,1,0,0|3,0,0]=4 1835 B11R1.15 CNNC(=O)C1CCC(=O)N1 22a_100016993582_100000210400 [0,0,0,1,0,0|3,0,0]=4 1836 B11R1.15 CNNC(=O)[C@@H]1CCC(=O)O1 22a_100016993582_100009814974 [0,0,0,1,0,0|2,0,0]=3 1837 B11R1.15 N#CCC(=O)C1CCC(=O)N1 1458a_100000210400_100011214920 [0,0,0,1,0,0|2,0,1]=4 1838 B11R1.15 N#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011214920 [0,0,0,1,0,0|1,0,1]=3 1839 B11R1.15 O=C(CCF)C1CCC(C1)O 1458a_100000688591_100011217306 [0,0,0,1,0,0|2,0,1]=4 1840 B11R1.15 O=C(CCO)C1CCC(C1)O 1458a_100000688591_100000211926 [0,0,0,1,0,0|2,0,1]=4 1841 B11R1.15 O=C1CC(CN1)C(=O)CCF 1458a_100000747279_100011217306 [0,0,0,1,0,0|3,0,0]=4 1842 B11R1.15 O=C1CC(CN1)C(=O)CCO 1458a_100000747279_100000211926 [0,0,0,1,0,0|3,0,0]=4 1843 B11R1.15 O=C1CCC(N1)C(=O)CCF 1458a_100000210400_100011217306 [0,0,0,1,0,0|2,0,0]=3 1844 B11R1.15 O=C1CCC(N1)C(=O)CCO 1458a_100000210400_100000211926 [0,0,0,1,0,0|2,0,0]=3 1845 B11R1.15 O=C1CC[C@H](O1)C(=O)CCF 1458a_100009814974_100011217306 [0,0,0,1,0,0|1,0,0]=2 1846 B11R1.15 O=C1CC[C@H](O1)C(=O)CCO 1458a_100009814974_100000211926 [0,0,0,1,0,0|1,0,0]=2 1847 B11R1.15 O=C1NCC(N1)C(=O)CCF 1458a_100000033324_100011217306 [0,0,0,1,0,0|3,0,0]=4 1848 B11R1.15 O=C1NCC(N1)C(=O)CCO 1458a_100000033324_100000211926 [0,0,0,1,0,0|3,0,0]=4 1849 B11R1.15 O=C1N[C@@H](CS1)C(=O)CCF 1458a_100000735014_100011217306 [0,0,0,1,0,0|3,0,0]=4 1850 B11R1.15 O=C1N[C@@H](CS1)C(=O)CCO 1458a_100000735014_100000211926 [0,0,0,1,0,0|3,0,0]=4 1851 B11R1.90 C=C(C)COC1CCCC1=O 34a_100000210245_100000709159 [0,0,0,1,0,0|3,0,0]=4 1852 B11R1.90 C=C(C)COC1CCCC1=O 34a_200000719330_100000748629 [0,0,0,1,0,0|3,0,0]=4 1853 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000211823_100000211660 [0,0,0,1,0,0|3,0,0]=4 1854 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000748629_100000211823 [0,0,0,1,0,0|3,0,0]=4 1855 B11R1.90 C=C(F)COC1CCCC1=O 34a_200000719330_100009893438 [0,0,0,1,0,0|3,0,0]=4 1856 B11R1.90 C=C(F)COC1CCCC1=O 34a_200010262243_100000709159 [0,0,0,1,0,0|3,0,0]=4 1857 B11R1.90 C=C(F)CSC1CCCC1=O 62a_100000042424_100000211823 [0,0,0,1,0,0|3,0,0]=4 1858 B11R1.90 C=C(F)CSC1CCCC1=O 62a_100000211823_100000042424 [0,0,0,1,0,0|3,0,0]=4 1859 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,0,0,1,0,0|3,0,0]=4 1860 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,0,0,1,0,0|2,0,0]=3 1861 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000070787_100000742232 [0,0,0,1,0,0|2,0,0]=3 1862 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000751031_200000210301 [0,0,0,1,0,0|2,0,0]=3 1863 B11R1.90 CC(=O)CCN1CCNC1=O 1458a_100000070787_100000090651 [0,0,0,1,0,0|3,0,0]=4 1864 B11R1.90 CC(=O)CCN1CCOC1=O 1458a_100000744634_200000210301 [0,0,0,1,0,0|3,0,0]=4 1865 B11R1.90 CC(=O)COC1CCCC1=O 34a_100000211253_100000709159 [0,0,0,1,0,0|2,0,0]=3 1866 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,0,0,1,0,0|3,0,0]=4 1867 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [0,0,0,1,0,0|2,0,1]=4 1868 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [0,0,0,1,0,0|2,0,1]=4 1869 B11R1.90 CC(O)COC1CCCC1=O 34a_200000719330_100011218427 [0,0,0,1,0,0|2,0,1]=4 1870 B11R1.90 CC(O)CSC1CCCC1=O 62a_100000211823_100011218427 [0,0,0,1,0,0|2,0,1]=4 1871 B11R1.90 CC(O)CSC1CCCC1=O 62a_100011218427_100000211823 [0,0,0,1,0,0|2,0,1]=4 1872 B11R1.90 C[C@@H](O)COC1CCCC1=O 34a_200000719330_100009817552 [0,0,0,1,0,0|2,0,1]=4 1873 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100009817552 [0,0,0,1,0,0|2,0,1]=4 1874 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100009817552_100000211823 [0,0,0,1,0,0|2,0,1]=4 1875 B11R1.90 NC(=O)CNC1CCCC1=O 2230a_100000711301_100000211823 [0,0,0,1,0,0|2,0,0]=3 1876 B11R1.90 NC(=O)CNC1CCNC1=O 2230a_100016995588_100000747473 [0,0,0,1,0,0|3,0,0]=4 1877 B11R1.90 NC(=O)CNC1CCNC1=O 34a_100016995588_100000187820 [0,0,0,1,0,0|3,0,0]=4 1878 B11R1.90 NC(=O)CNC1CCOC1=O 2230a_100000711301_100000211211 [0,0,0,1,0,0|3,0,0]=4 1879 B11R1.90 NC(=O)COC1CCCC1=O 34a_200000719330_100000187820 [0,0,0,1,0,0|2,0,0]=3 1880 B11R1.90 NC(=O)CO[C@H]1CCNC1=O 34a_100000688343_100000187820 [0,0,0,1,0,0|3,0,0]=4 1881 B11R1.90 NC(=O)CSC1CCCC1=O 62a_100000211823_100000747473 [0,0,0,1,0,0|2,0,0]=3 1882 B11R1.90 NC(=O)CSC1CCCC1=O 62a_100000747473_100000211823 [0,0,0,1,0,0|2,0,0]=3 1883 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000211211_100000747473 [0,0,0,1,0,0|3,0,0]=4 1884 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000747473_100000211211 [0,0,0,1,0,0|3,0,0]=4 1885 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,0,0,1,0,0|1,0,0]=2 1886 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [0,0,0,1,0,0|1,0,2]=4 1887 B11R1.90 O=C([O-])CNC1CCNC1=O 34a_100016995588_100020667443 [0,0,0,1,0,0|2,0,1]=4 1888 B11R1.90 O=C([O-])COC1CCCC1=O 34a_200000719330_100020667443 [0,0,0,1,0,0|1,0,1]=3 1889 B11R1.90 O=C([O-])CO[C@H]1CCNC1=O 34a_100000688343_100020667443 [0,0,0,1,0,0|2,0,1]=4 1890 B11R1.90 O=C([O-])CSC1CCCC1=O 62a_100000211823_100020667443 [0,0,0,1,0,0|1,0,1]=3 1891 B11R1.90 O=C([O-])CSC1CCCC1=O 62a_100020667443_100000211823 [0,0,0,1,0,0|1,0,1]=3 1892 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100000211211_100020667443 [0,0,0,1,0,0|2,0,1]=4 1893 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100020667443_100000211211 [0,0,0,1,0,0|2,0,1]=4 1894 B11R1.90 O=C1CCCC1OC[N+](=O)[O-] 34a_200000719330_100000761209 [0,0,0,1,0,0|2,0,1]=4 1895 B11R1.90 O=C1CCCC1SC[N+](=O)[O-] 62a_100000211823_100000761209 [0,0,0,1,0,0|2,0,1]=4 1896 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,0,0,1,0,0|2,0,0]=3 1897 B11R1.90 [13CH3]C(=O)CCN1CCCC1=O 1458a_100000751031_200025704644 [0,0,0,1,0,0|2,0,0]=3 1898 B11R1.90 [13CH3]C(=O)CCN1CCOC1=O 1458a_100000744634_200025704644 [0,0,0,1,0,0|3,0,0]=4 1899 B11R1.120 CCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210207 [0,0,0,1,0,0|2,0,0]=3 1900 B11R1.120 COCN1CC(C1)CC(=O)O 269956a_100016993960_100000766300 [0,0,0,1,0,0|3,0,0]=4 1901 B11R1.120 CSCN1CC(C1)CC(=O)O 269956a_100016993960_100011218213 [0,0,0,1,0,0|3,0,0]=4 1902 B11R1.120 O=C(O)CC1CN(C1)CCF 269956a_100016993960_100011217306 [0,0,0,1,0,0|3,0,0]=4 1903 B11R1.120 O=C(O)CC1CN(C1)CCO 269956a_100016993960_100000211926 [0,0,0,1,0,0|3,0,0]=4 1904 B11R1.124 CCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210303 [0,0,0,1,0,0|3,0,0]=4 1905 B11R1.124 CCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210303 [0,0,0,1,0,0|3,0,0]=4 1906 B11R1.124 CCCN1CCC(C1)C(=O)N 34a_100000752358_100000210303 [0,0,0,1,0,0|3,0,0]=4 1907 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [0,0,0,1,0,0|2,0,1]=4 1908 B11R1.154 CC(=O)CCCN1CC(C1)C 269982a_100000702820_100011215641 [0,0,0,1,0,0|3,0,0]=4 1909 B11R1.154 CC(=O)CCCN1CC(C1)C 34a_100000702820_100000685027 [0,0,0,1,0,0|3,0,0]=4 1910 B11R1.154 CC1CN(C1)CCCC(=O)N 269982a_100000702820_100102525003 [0,0,0,1,0,0|3,0,0]=4 1911 B11R1.154 CC1CN(C1)CCCC(=O)N 34a_100000702820_100102525003 [0,0,0,1,0,0|3,0,0]=4 1912 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,0,0,1,0,0|2,0,1]=4 1913 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,0,0,1,0,0|3,0,0]=4 1914 B11R1.157 CC(=O)CN1CCNC(=O)C1 1458a_100025771038_200000210301 [0,0,0,1,0,0|3,0,0]=4 1915 B11R1.157 CC(=O)NC1CCNC(=O)C1 11a_100016994916_100015343762 [0,0,0,1,0,0|3,0,0]=4 1916 B11R1.157 CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100015343762 [0,0,0,1,0,0|3,0,0]=4 1917 B11R1.157 CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100015343762 [0,0,0,1,0,0|3,0,0]=4 1918 B11R1.157 CC(=O)NC1CCNC(=O)C1 527a_100016994916_100103153847 [0,0,0,1,0,0|3,0,0]=4 1919 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,0,0,1,0,0|2,0,1]=4 1920 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,0,0,1,0,0|2,0,0]=3 1921 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,0,0,1,0,0|3,0,0]=4 1922 B11R1.157 NC(=O)CN1CCNC(=O)C1 2230a_100000184651_100000747473 [0,0,0,1,0,0|3,0,0]=4 1923 B11R1.157 NC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747473 [0,0,0,1,0,0|3,0,0]=4 1924 B11R1.157 [13CH3]C(=O)CN1CCNC(=O)C1 1458a_100025771038_200025704644 [0,0,0,1,0,0|3,0,0]=4 1925 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,0,0,1,0,0|2,0,0]=3 1926 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,0,0,1,0,0|3,0,0]=4 1927 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [0,0,0,1,0,0|1,0,2]=4 1928 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [0,0,0,1,0,0|1,0,2]=4 1929 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,0,1,0,0|2,0,1]=4 1930 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,0,0,1,0,0|3,0,0]=4 1931 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,0,0,1,0,0|3,0,0]=4 1932 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,0,0,1,0,0|3,0,0]=4 1933 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [0,0,0,1,0,0|3,0,0]=4 1934 B11R1.172 O=C(O)CNCC1=NCCN1 269956a_100016091260_100000737910 [0,0,0,1,0,0|3,0,0]=4 1935 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,0,0,1,0,0|2,0,1]=4 1936 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [0,0,0,1,0,0|1,0,2]=4 1937 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,0,0,1,0,0|3,0,0]=4 1938 B11R1.201 C#CCC(=O)CC1CC(=O)C1 1458a_100011220946_100009874392 [0,0,0,1,0,0|1,0,2]=4 1939 B11R1.201 C=C1CC(C1)NC(=O)CCC 11a_100132301982_100000211992 [0,0,0,1,0,0|3,0,0]=4 1940 B11R1.201 C=C1CC(C1)NC(=O)CCC 1626a_100132301982_100000211992 [0,0,0,1,0,0|3,0,0]=4 1941 B11R1.201 C=C1CC(C1)NC(=O)CCC 527a_100132301982_100000211992 [0,0,0,1,0,0|3,0,0]=4 1942 B11R1.201 C=CCC(=O)CC1CC(=O)C1 1458a_100000210193_100009874392 [0,0,0,1,0,0|1,0,2]=4 1943 B11R1.201 CC#CC(=O)CC1CC(=O)C1 1458a_100000763181_100009874392 [0,0,0,1,0,0|1,0,2]=4 1944 B11R1.201 CC=CC(=O)CC1CC(=O)C1 1458a_100000210699_100009874392 [0,0,0,1,0,0|1,0,2]=4 1945 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,0,0,1,0,0|1,0,0]=2 1946 B11R1.201 CCCC(=O)CN1CC(C1)O 269982a_100000749847_100000747444 [0,0,0,1,0,0|2,0,1]=4 1947 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000211992 [0,0,0,1,0,0|2,0,1]=4 1948 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000211992 [0,0,0,1,0,0|2,0,1]=4 1949 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211992 [0,0,0,1,0,0|2,0,1]=4 1950 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000211992 [0,0,0,1,0,0|2,0,1]=4 1951 B11R1.201 CCCN(C)CC1CC(=O)C1 2230a_100000747261_100009874392 [0,0,0,1,0,0|3,0,0]=4 1952 B11R1.201 CCCN(C)CC1CC(=O)C1 269982a_100000747261_100009874392 [0,0,0,1,0,0|3,0,0]=4 1953 B11R1.201 COCC(=O)CC1CC(=O)C1 1458a_100000210968_100009874392 [0,0,0,1,0,0|2,0,0]=3 1954 B11R1.201 CSCC(=O)CC1CC(=O)C1 1458a_100000184570_100009874392 [0,0,0,1,0,0|2,0,0]=3 1955 B11R1.201 N#CCC(=O)CC1CC(=O)C1 1458a_100051588842_100009874392 [0,0,0,1,0,0|2,0,1]=4 1956 B11R1.201 O=C(CCO)CC1CC(=O)C1 1458a_100011216618_100009874392 [0,0,0,1,0,0|2,0,0]=3 1957 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,0,0,1,0,0|1,0,1]=3 1958 B11R1.290 CCCC(=O)CSCC1CO1 62a_100000747444_102125554688 [0,0,0,1,0,0|2,0,1]=4 1959 B11R1.290 CCCC(=O)CSCC1CO1 62a_102125554688_100000747444 [0,0,0,1,0,0|2,0,1]=4 1960 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747444 [0,0,0,1,0,0|2,0,1]=4 1961 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000747444_100000745022 [0,0,0,1,0,0|2,0,1]=4 1962 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,0,0,1,0,0|2,0,1]=4 1963 B11R1.290 CSCC(=O)CCCC1CO1 1458a_100000184570_100000733510 [0,0,0,1,0,0|2,0,1]=4 1964 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,0,0,1,0,0|2,0,1]=4 1965 B11R1.565 CC(=O)N1CCNC(=O)CC1 11a_100000698595_100015343762 [0,0,0,1,0,0|3,0,0]=4 1966 B11R1.565 CC(=O)N1CCNC(=O)CC1 1626a_100000698595_100015343762 [0,0,0,1,0,0|3,0,0]=4 1967 B11R1.565 CC(=O)N1CCNC(=O)CC1 240690a_100000698595_100015343762 [0,0,0,1,0,0|3,0,0]=4 1968 B11R1.565 CC(=O)N1CCNC(=O)CC1 527a_100000698595_100103153847 [0,0,0,1,0,0|3,0,0]=4 1969 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,0,0,1,0,0|2,0,0]=3 1970 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,0,0,1,0,0|2,0,0]=3 1971 B11R1.720 C=C(C)COCC(=O)C1CC1 34a_100000210245_100000746382 [0,0,0,1,0,0|3,0,0]=4 1972 B11R1.720 C=C(C)COCC(=O)C1CC1 34a_100000686663_100000748629 [0,0,0,1,0,0|3,0,0]=4 1973 B11R1.720 C=C(C)CSCC(=O)C1CC1 62a_100000746382_100000211660 [0,0,0,1,0,0|3,0,0]=4 1974 B11R1.720 C=C(C)CSCC(=O)C1CC1 62a_100000748629_100000746382 [0,0,0,1,0,0|3,0,0]=4 1975 B11R1.720 C=C(F)COCC(=O)C1CC1 34a_100000686663_100009893438 [0,0,0,1,0,0|3,0,0]=4 1976 B11R1.720 C=C(F)COCC(=O)C1CC1 34a_200010262243_100000746382 [0,0,0,1,0,0|3,0,0]=4 1977 B11R1.720 C=C(F)CSCC(=O)C1CC1 62a_100000042424_100000746382 [0,0,0,1,0,0|3,0,0]=4 1978 B11R1.720 C=C(F)CSCC(=O)C1CC1 62a_100000746382_100000042424 [0,0,0,1,0,0|3,0,0]=4 1979 B11R1.720 CC(=CCCC(=O)C1CC1)C 1458a_100000210395_100011217483 [0,0,0,1,0,0|2,0,1]=4 1980 B11R1.720 CC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215641 [0,0,0,1,0,0|1,0,0]=2 1981 B11R1.720 CC(=O)CCCC(=O)C1CO1 1458a_100000701028_100011215641 [0,0,0,1,0,0|2,0,0]=3 1982 B11R1.720 CC(=O)CCCN(C)C1CC1 269982a_100000226674_100011215641 [0,0,0,1,0,0|3,0,0]=4 1983 B11R1.720 CC(=O)COCC(=O)C1CC1 34a_100000211253_100000746382 [0,0,0,1,0,0|2,0,0]=3 1984 B11R1.720 CC(=O)NCCC(=O)C1CC1 1458a_100000210395_100000189650 [0,0,0,1,0,0|2,0,0]=3 1985 B11R1.720 CC(=O)NCCC(=O)C1CO1 1458a_100000701028_100000189650 [0,0,0,1,0,0|3,0,0]=4 1986 B11R1.720 CC(=O)OCCC(=O)C1CC1 1458a_100000210395_100009814007 [0,0,0,1,0,0|2,0,0]=3 1987 B11R1.720 CC(=O)OCCC(=O)C1CO1 1458a_100000701028_100009814007 [0,0,0,1,0,0|3,0,0]=4 1988 B11R1.720 CC(C)CCCC(=O)C1CC1 1458a_100000210395_100011214892 [0,0,0,1,0,0|2,0,1]=4 1989 B11R1.720 CC(O)CCCC(=O)C1CC1 1458a_100000210395_200000718107 [0,0,0,1,0,0|1,0,1]=3 1990 B11R1.720 CC(O)CCCC(=O)C1CO1 1458a_100000701028_200000718107 [0,0,0,1,0,0|2,0,1]=4 1991 B11R1.720 CC(O)CCNC(=O)C1CC1 240690a_200000755665_100000210395 [0,0,0,1,0,0|2,0,1]=4 1992 B11R1.720 CC(O)CCNC(=O)C1CC1 527a_200000755665_100000210395 [0,0,0,1,0,0|2,0,1]=4 1993 B11R1.720 CC(O)CNCC(=O)C1CC1 2230a_100000210904_100000746382 [0,0,0,1,0,0|2,0,1]=4 1994 B11R1.720 CC(O)CNCC(=O)C1CC1 34a_100000210904_100000746382 [0,0,0,1,0,0|2,0,1]=4 1995 B11R1.720 CC(O)COCC(=O)C1CC1 34a_100000686663_100011218427 [0,0,0,1,0,0|2,0,1]=4 1996 B11R1.720 CC(O)CSCC(=O)C1CC1 62a_100000746382_100011218427 [0,0,0,1,0,0|2,0,1]=4 1997 B11R1.720 CC(O)CSCC(=O)C1CC1 62a_100011218427_100000746382 [0,0,0,1,0,0|2,0,1]=4 1998 B11R1.720 CN(C)CCCC(=O)C1CC1 1458a_100000210395_100000695564 [0,0,0,1,0,0|3,0,0]=4 1999 B11R1.720 CN(CCCC(=O)N)C1CC1 269982a_100000226674_100102525003 [0,0,0,1,0,0|3,0,0]=4 2000 B11R1.720 CN(CCCC(=O)O)C1CC1 269956a_100000719178_100000211595 [0,0,0,1,0,0|2,0,0]=3 2001 B11R1.720 C[C@@H](O)COCC(=O)C1CC1 34a_100000686663_100009817552 [0,0,0,1,0,0|2,0,1]=4 2002 B11R1.720 C[C@@H](O)CSCC(=O)C1CC1 62a_100000746382_100009817552 [0,0,0,1,0,0|2,0,1]=4 2003 B11R1.720 C[C@@H](O)CSCC(=O)C1CC1 62a_100009817552_100000746382 [0,0,0,1,0,0|2,0,1]=4 2004 B11R1.720 NC(=O)CCCC(=O)C1CC1 1458a_100000210395_100102525003 [0,0,0,1,0,0|1,0,0]=2 2005 B11R1.720 NC(=O)CCCC(=O)C1CO1 1458a_100000701028_100102525003 [0,0,0,1,0,0|2,0,0]=3 2006 B11R1.720 NC(=O)CCNC(=O)C1CC1 11a_100000740010_100000210395 [0,0,0,1,0,0|2,0,0]=3 2007 B11R1.720 NC(=O)CCNC(=O)C1CC1 240690a_100000740010_100000210395 [0,0,0,1,0,0|2,0,0]=3 2008 B11R1.720 NC(=O)CCNC(=O)C1CC1 527a_100000740010_100000210395 [0,0,0,1,0,0|2,0,0]=3 2009 B11R1.720 NC(=O)CCNC(=O)C1CO1 11a_100000740010_100000701028 [0,0,0,1,0,0|3,0,0]=4 2010 B11R1.720 NC(=O)CCNC(=O)C1CO1 240690a_100000740010_100000701028 [0,0,0,1,0,0|3,0,0]=4 2011 B11R1.720 NC(=O)CCNC(=O)C1CO1 527a_100000740010_100000701028 [0,0,0,1,0,0|3,0,0]=4 2012 B11R1.720 NC(=O)CNCC(=O)C1CC1 2230a_100000711301_100000746382 [0,0,0,1,0,0|2,0,0]=3 2013 B11R1.720 NC(=O)COCC(=O)C1CC1 34a_100000686663_100000187820 [0,0,0,1,0,0|2,0,0]=3 2014 B11R1.720 NC(=O)CSCC(=O)C1CC1 62a_100000746382_100000747473 [0,0,0,1,0,0|2,0,0]=3 2015 B11R1.720 NC(=O)CSCC(=O)C1CC1 62a_100000747473_100000746382 [0,0,0,1,0,0|2,0,0]=3 2016 B11R1.720 NC(=O)NCCC(=O)C1CC1 1458a_100000210395_200000034859 [0,0,0,1,0,0|2,0,0]=3 2017 B11R1.720 NC(=O)NCCC(=O)C1CO1 1458a_100000701028_200000034859 [0,0,0,1,0,0|3,0,0]=4 2018 B11R1.720 NC(=O)OCCC(=O)C1CC1 1458a_100000210395_200011214921 [0,0,0,1,0,0|2,0,0]=3 2019 B11R1.720 NC(=O)OCCC(=O)C1CO1 1458a_100000701028_200011214921 [0,0,0,1,0,0|3,0,0]=4 2020 B11R1.720 O=C(CCC=C(F)F)C1CC1 1458a_100000210395_200009816681 [0,0,0,1,0,0|2,0,1]=4 2021 B11R1.720 O=C(COC[N+](=O)[O-])C1CC1 34a_100000686663_100000761209 [0,0,0,1,0,0|2,0,1]=4 2022 B11R1.720 O=C(CSC[N+](=O)[O-])C1CC1 62a_100000746382_100000761209 [0,0,0,1,0,0|2,0,1]=4 2023 B11R1.720 O=C(O)CNCC(=O)C1CC1 269956a_100016091260_100000746382 [0,0,0,1,0,0|1,0,0]=2 2024 B11R1.720 O=C([O-])COCC(=O)C1CC1 34a_100000686663_100020667443 [0,0,0,1,0,0|1,0,1]=3 2025 B11R1.720 O=C([O-])CSCC(=O)C1CC1 62a_100000746382_100020667443 [0,0,0,1,0,0|1,0,1]=3 2026 B11R1.720 O=C([O-])CSCC(=O)C1CC1 62a_100020667443_100000746382 [0,0,0,1,0,0|1,0,1]=3 2027 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)C 1458a_100009818562_200000210301 [0,0,0,1,0,0|2,0,0]=3 2028 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)[13CH3] 1458a_100009818562_200025704644 [0,0,0,1,0,0|2,0,0]=3 2029 B11R1.839 CCCC(=O)CC1CC1(F)F 1458a_100000138109_100000210303 [0,0,0,1,0,0|2,0,1]=4 2030 B11R1.839 CCCC(=O)CC1CC1(F)F 1458a_100000211992_100009817841 [0,0,0,1,0,0|2,0,1]=4 2031 B11R1.924 CC1(CCC1)CNCC(=O)O 269956a_100016091260_100000726658 [0,0,0,1,0,0|2,0,1]=4 2032 B9R0.48 C#CCC(=O)CCC(=O)N 1458a_100011215257_100000184674 [0,0,0,0,1,0|1,0,2]=4 2033 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,0,0,1,0|2,0,0]=3 2034 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,0,0,1,0|2,0,0]=3 2035 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,0,0,0,1,0|3,0,0]=4 2036 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,0,0,0,1,0|3,0,0]=4 2037 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,0,0,0,1,0|3,0,0]=4 2038 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,0,0,0,1,0|3,0,0]=4 2039 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,0,0,0,1,0|3,0,0]=4 2040 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,0,0,0,1,0|3,0,0]=4 2041 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,0,0,0,1,0|3,0,0]=4 2042 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,0,0,0,1,0|3,0,0]=4 2043 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,0,0,0,1,0|3,0,0]=4 2044 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,0,0,0,1,0|3,0,0]=4 2045 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,0,0,0,1,0|3,0,0]=4 2046 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,0,0,0,1,0|3,0,0]=4 2047 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [0,0,0,0,1,0|1,0,2]=4 2048 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,0,0,0,1,0|3,0,0]=4 2049 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,0,0,0,1,0|3,0,0]=4 2050 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,0,0,0,1,0|3,0,0]=4 2051 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,0,0,0,1,0|3,0,0]=4 2052 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,0,0,0,1,0|3,0,0]=4 2053 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,0,0,0,1,0|3,0,0]=4 2054 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,0,0,0,1,0|3,0,0]=4 2055 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,0,0,0,1,0|3,0,0]=4 2056 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,0,0,0,1,0|2,0,1]=4 2057 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,1,0|2,0,1]=4 2058 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,1,0|2,0,1]=4 2059 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,0,0,0,1,0|1,0,0]=2 2060 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,0,0,0,1,0|2,0,1]=4 2061 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,0,0,0,1,0|2,0,1]=4 2062 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,0,0,0,1,0|1,0,1]=3 2063 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,0,0,0,1,0|1,0,1]=3 2064 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,0,0,0,1,0|3,0,0]=4 2065 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,1,0|2,0,0]=3 2066 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,0,0,0,1,0|2,0,0]=3 2067 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,1,0|2,0,0]=3 2068 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,1,0|2,0,0]=3 2069 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,0,0,0,1,0|2,0,0]=3 2070 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,0,0,0,1,0|2,0,0]=3 2071 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,0,0,0,1,0|2,0,0]=3 2072 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,0,0,0,1,0|2,0,1]=4 2073 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,0,0,0,1,0|2,0,1]=4 2074 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,0,0,0,1,0|2,0,1]=4 2075 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,0,0,0,1,0|3,0,0]=4 2076 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,0,0,0,1,0|3,0,0]=4 2077 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,1,0|2,0,0]=3 2078 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,0,0,0,1,0|2,0,1]=4 2079 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,0,0,0,1,0|3,0,0]=4 2080 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,0,0,0,1,0|3,0,0]=4 2081 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,0,0,0,1,0|3,0,0]=4 2082 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,0,0,0,1,0|3,0,0]=4 2083 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,1,0|2,0,0]=3 2084 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,0,0,0,1,0|2,0,0]=3 2085 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,0,0,0,1,0|2,0,0]=3 2086 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,1,0|2,0,0]=3 2087 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,0,0,0,1,0|2,0,1]=4 2088 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,0,0,0,1,0|2,0,1]=4 2089 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,0,0,0,1,0|3,0,0]=4 2090 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,0,0,0,1,0|3,0,0]=4 2091 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,0,0,0,1,0|3,0,0]=4 2092 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,0,0,0,1,0|3,0,0]=4 2093 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,0,0,0,1,0|3,0,0]=4 2094 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,0,0,0,1,0|3,0,0]=4 2095 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,0,0,0,1,0|3,0,0]=4 2096 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,0,0,0,1,0|3,0,0]=4 2097 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,0,0,0,1,0|3,0,0]=4 2098 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,0,0,1,0|3,0,0]=4 2099 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,0,0,1,0|3,0,0]=4 2100 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,0,0,0,1,0|3,0,0]=4 2101 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,0,0,0,1,0|3,0,0]=4 2102 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,0,0,0,1,0|3,0,0]=4 2103 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,0,0,0,1,0|3,0,0]=4 2104 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,0,0,0,1,0|3,0,0]=4 2105 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,0,0,0,1,0|3,0,0]=4 2106 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,0,0,0,1,0|3,0,0]=4 2107 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,1,0|2,0,0]=3 2108 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,1,0|2,0,0]=3 2109 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,0,0,1,0|3,0,0]=4 2110 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,0,0,1,0|3,0,0]=4 2111 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,0,0,1,0|3,0,0]=4 2112 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,0,0,0,1,0|3,0,0]=4 2113 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,0,0,0,1,0|2,0,0]=3 2114 B9R0.48 CNNC(=O)CCC(=O)N 22a_100016993582_100011215257 [0,0,0,0,1,0|3,0,0]=4 2115 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,0,0,0,1,0|2,0,1]=4 2116 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,0,0,0,1,0|3,0,0]=4 2117 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,0,0,0,1,0|3,0,0]=4 2118 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,0,0,0,1,0|3,0,0]=4 2119 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,0,0,0,1,0|3,0,0]=4 2120 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,0,0,0,1,0|2,0,1]=4 2121 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,0,0,0,1,0|3,0,0]=4 2122 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,0,0,0,1,0|3,0,0]=4 2123 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,0,0,0,1,0|3,0,0]=4 2124 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,0,0,0,1,0|3,0,0]=4 2125 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,0,0,0,1,0|3,0,0]=4 2126 B9R0.48 N#CCC(=O)CCC(=O)N 1458a_100011215257_100011214920 [0,0,0,0,1,0|2,0,1]=4 2127 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,0,0,0,1,0|2,0,0]=3 2128 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,0,0,0,1,0|2,0,0]=3 2129 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,0,0,0,1,0|3,0,0]=4 2130 B9R0.48 NC(=O)NCC(=O)CCF 1458a_100000184981_100011217306 [0,0,0,0,1,0|3,0,0]=4 2131 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [0,0,0,0,1,0|3,0,0]=4 2132 B9R0.48 O=C(CCF)CC[N+](=O)[O-] 1458a_200000064761_100011217306 [0,0,0,0,1,0|2,0,1]=4 2133 B9R0.48 O=C(CCO)CC[N+](=O)[O-] 1458a_200000064761_100000211926 [0,0,0,0,1,0|2,0,1]=4 2134 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,0,0,0,1,0|2,0,0]=3 2135 B11R0.176 C#CCC(=O)CCCCC(=O)C 1458a_100011220946_100000735457 [0,0,0,0,0,1|1,0,2]=4 2136 B11R0.176 C#CCC(=O)CCCNC(=O)C 1458a_100000194741_100000184674 [0,0,0,0,0,1|1,0,2]=4 2137 B11R0.176 C#CCC(=O)CCCOC(=O)C 1458a_100011220946_100000042594 [0,0,0,0,0,1|1,0,2]=4 2138 B11R0.176 C#CCC(=O)CCCSC(=O)C 1458a_100011220946_100000038929 [0,0,0,0,0,1|1,0,2]=4 2139 B11R0.176 C#CCC(=O)CCOCC(=O)N 1458a_100011220946_100000076697 [0,0,0,0,0,1|1,0,2]=4 2140 B11R0.176 C#CCC(=O)CCSCC(=O)N 1458a_100000148550_100000184674 [0,0,0,0,0,1|1,0,2]=4 2141 B11R0.176 C#CCC(=O)NCCCC(=O)N 527a_100000739312_100011220946 [0,0,0,0,0,1|1,0,2]=4 2142 B11R0.176 C=C(Br)CCOCC(=O)NCC 34a_100009813270_100000183381 [0,0,0,0,0,1|3,0,0]=4 2143 B11R0.176 C=C(Br)CCOCC(=O)OCC 34a_100009813270_100000188475 [0,0,0,0,0,1|3,0,0]=4 2144 B11R0.176 C=C(C)CCNCC(=O)NCC 2230a_100016988866_100000730704 [0,0,0,0,0,1|3,0,0]=4 2145 B11R0.176 C=C(C)CCOCC(=O)NCC 34a_100000764851_100000183381 [0,0,0,0,0,1|3,0,0]=4 2146 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,0,0,0,0,1|3,0,0]=4 2147 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000730704_100000747444 [0,0,0,0,0,1|2,0,0]=3 2148 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000747444_100000730704 [0,0,0,0,0,1|2,0,0]=3 2149 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000183381_100000730704 [0,0,0,0,0,1|3,0,0]=4 2150 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000730704_100000183381 [0,0,0,0,0,1|3,0,0]=4 2151 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [0,0,0,0,0,1|3,0,0]=4 2152 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [0,0,0,0,0,1|3,0,0]=4 2153 B11R0.176 C=C(C)CNCCC(=O)NCC 34a_100025743525_100000748629 [0,0,0,0,0,1|3,0,0]=4 2154 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [0,0,0,0,0,1|3,0,0]=4 2155 B11R0.176 C=C(C)COCOC(=O)CCC 34a_100000210245_100000034017 [0,0,0,0,0,1|3,0,0]=4 2156 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000737597_100000211660 [0,0,0,0,0,1|3,0,0]=4 2157 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000748629_100000737597 [0,0,0,0,0,1|3,0,0]=4 2158 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [0,0,0,0,0,1|3,0,0]=4 2159 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [0,0,0,0,0,1|3,0,0]=4 2160 B11R0.176 C=C(C)CSCOC(=O)CCC 62a_100000748629_100000034017 [0,0,0,0,0,1|3,0,0]=4 2161 B11R0.176 C=C(F)CNCCC(=O)NCC 34a_100025743525_100009893438 [0,0,0,0,0,1|3,0,0]=4 2162 B11R0.176 C=C(F)COCCC(=O)OCC 34a_200010262243_100000765890 [0,0,0,0,0,1|3,0,0]=4 2163 B11R0.176 C=C(F)COCOC(=O)CCC 34a_200010262243_100000034017 [0,0,0,0,0,1|3,0,0]=4 2164 B11R0.176 C=C(F)CSCCC(=O)NCC 62a_100000042424_100000737597 [0,0,0,0,0,1|3,0,0]=4 2165 B11R0.176 C=C(F)CSCCC(=O)NCC 62a_100000737597_100000042424 [0,0,0,0,0,1|3,0,0]=4 2166 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000042424_100000765890 [0,0,0,0,0,1|3,0,0]=4 2167 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000765890_100000042424 [0,0,0,0,0,1|3,0,0]=4 2168 B11R0.176 C=C(F)CSCOC(=O)CCC 62a_100000042424_100000034017 [0,0,0,0,0,1|3,0,0]=4 2169 B11R0.176 C=CCC(=O)CCCCC(=O)C 1458a_100000210193_100000735457 [0,0,0,0,0,1|1,0,2]=4 2170 B11R0.176 C=CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210623 [0,0,0,0,0,1|1,0,2]=4 2171 B11R0.176 C=CCC(=O)CCCOC(=O)C 1458a_100000210193_100000042594 [0,0,0,0,0,1|1,0,2]=4 2172 B11R0.176 C=CCC(=O)CCCSC(=O)C 1458a_100000210193_100000038929 [0,0,0,0,0,1|1,0,2]=4 2173 B11R0.176 C=CCC(=O)CCOCC(=O)N 1458a_100000210193_100000076697 [0,0,0,0,0,1|1,0,2]=4 2174 B11R0.176 C=CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210623 [0,0,0,0,0,1|1,0,2]=4 2175 B11R0.176 C=CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210193 [0,0,0,0,0,1|1,0,2]=4 2176 B11R0.176 C=CCC(=O)NCCCC(=O)N 527a_100000739312_100000210193 [0,0,0,0,0,1|1,0,2]=4 2177 B11R0.176 CC#CC(=O)CCCCC(=O)C 1458a_100000763181_100000735457 [0,0,0,0,0,1|1,0,2]=4 2178 B11R0.176 CC#CC(=O)CCCOC(=O)C 1458a_100000763181_100000042594 [0,0,0,0,0,1|1,0,2]=4 2179 B11R0.176 CC#CC(=O)CCCSC(=O)C 1458a_100000763181_100000038929 [0,0,0,0,0,1|1,0,2]=4 2180 B11R0.176 CC#CC(=O)CCOCC(=O)N 1458a_100000763181_100000076697 [0,0,0,0,0,1|1,0,2]=4 2181 B11R0.176 CC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000735457 [0,0,0,0,0,1|2,0,1]=4 2182 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,0,0,0,0,1|2,0,0]=3 2183 B11R0.176 CC(=O)CCOCC(=O)NCO 34a_100000759926_100000185155 [0,0,0,0,0,1|3,0,0]=4 2184 B11R0.176 CC(=O)CCOCC(=O)NCO 7a_100000759926_100000185155 [0,0,0,0,0,1|3,0,0]=4 2185 B11R0.176 CC(=O)CCSCC(=O)NCO 62a_100000053229_100000185155 [0,0,0,0,0,1|3,0,0]=4 2186 B11R0.176 CC(=O)CCSCC(=O)NCO 62a_100000185155_100000053229 [0,0,0,0,0,1|3,0,0]=4 2187 B11R0.176 CC(=O)NCCCC(=O)CC#N 1458a_100000194741_100011214920 [0,0,0,0,0,1|2,0,1]=4 2188 B11R0.176 CC(=O)NCCCC(=O)CCF 1458a_100000194741_100011217306 [0,0,0,0,0,1|2,0,0]=3 2189 B11R0.176 CC(=O)NCCCC(=O)CCO 1458a_100000194741_100000211926 [0,0,0,0,0,1|2,0,0]=3 2190 B11R0.176 CC(=O)NCCNC(=O)CCO 240690a_100000209853_100011216618 [0,0,0,0,0,1|3,0,0]=4 2191 B11R0.176 CC(=O)OCCCC(=O)CC#N 1458a_100051588842_100000042594 [0,0,0,0,0,1|2,0,1]=4 2192 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [0,0,0,0,0,1|2,0,0]=3 2193 B11R0.176 CC(=O)OCCNC(=O)CCO 240690a_100000724843_100011216618 [0,0,0,0,0,1|3,0,0]=4 2194 B11R0.176 CC(=O)SCCCC(=O)CC#N 1458a_100051588842_100000038929 [0,0,0,0,0,1|2,0,1]=4 2195 B11R0.176 CC(=O)SCCCC(=O)CCO 1458a_100011216618_100000038929 [0,0,0,0,0,1|2,0,0]=3 2196 B11R0.176 CC(=O)SCCNC(=O)CCO 240690a_100020647217_100011216618 [0,0,0,0,0,1|3,0,0]=4 2197 B11R0.176 CC(=S)OCCCC(=O)CCO 1458a_100011216618_200135323944 [0,0,0,0,0,1|2,1,0]=4 2198 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,0,0,0,0,1|1,0,2]=4 2199 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [0,0,0,0,0,1|1,0,2]=4 2200 B11R0.176 CC=CC(=O)CCCSC(=O)C 1458a_100000210699_100000038929 [0,0,0,0,0,1|1,0,2]=4 2201 B11R0.176 CC=CC(=O)CCOCC(=O)N 1458a_100000210699_100000076697 [0,0,0,0,0,1|1,0,2]=4 2202 B11R0.176 CC=CC(=O)NCCCC(=O)N 240690a_100000739312_100000210699 [0,0,0,0,0,1|1,0,2]=4 2203 B11R0.176 CCCC(=O)CCCCB(O)O 1458a_100000211992_200009817182 [0,0,0,0,0,1|1,0,1]=3 2204 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,0,0,0,0,1|1,0,0]=2 2205 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,0,0,0,0,1|2,0,1]=4 2206 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,0,0,0,0,1|2,0,1]=4 2207 B11R0.176 CCCC(=O)CCCN=C(N)N 1458a_100000034108_100000210303 [0,0,0,0,0,1|2,0,0]=3 2208 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,0,0,0,0,1|1,0,0]=2 2209 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,0,0,0,0,1|1,0,0]=2 2210 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,0,0,0,0,1|1,1,0]=3 2211 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,0,0,0,0,1|1,0,0]=2 2212 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,0,0,0,0,1|1,0,0]=2 2213 B11R0.176 CCCC(=O)CCOCC(F)F 1458a_100000211992_200012177212 [0,0,0,0,0,1|2,0,1]=4 2214 B11R0.176 CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210303 [0,0,0,0,0,1|1,0,0]=2 2215 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,0,0,0,0,1|1,0,1]=3 2216 B11R0.176 CCCC(=O)CNOCC(=O)O 269956a_100000106656_100000747444 [0,0,0,0,0,1|1,0,0]=2 2217 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,0,0,0,0,1|1,0,0]=2 2218 B11R0.176 CCCC(=O)COCCC(=O)N 7a_100000757172_100000747444 [0,0,0,0,0,1|1,0,0]=2 2219 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,0,0,0,0,1|2,0,1]=4 2220 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000747444_100000761012 [0,0,0,0,0,1|2,0,1]=4 2221 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000761012_100000747444 [0,0,0,0,0,1|2,0,1]=4 2222 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,0,0,0,0,1|1,0,0]=2 2223 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,0,0,0,0,1|1,0,0]=2 2224 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000744528_100000747444 [0,0,0,0,0,1|1,0,0]=2 2225 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000747444_100000744528 [0,0,0,0,0,1|1,0,0]=2 2226 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,0,0,0,0,1|2,0,1]=4 2227 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,0,0,0,0,1|2,0,1]=4 2228 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,0,0,0,0,1|1,0,1]=3 2229 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,0,0,0,0,1|1,0,1]=3 2230 B11R0.176 CCCC(=O)CSCCN(C)C 62a_100000747444_100000755713 [0,0,0,0,0,1|3,0,0]=4 2231 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000076356_100000747444 [0,0,0,0,0,1|2,0,0]=3 2232 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000747444_100000076356 [0,0,0,0,0,1|2,0,0]=3 2233 B11R0.176 CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211992 [0,0,0,0,0,1|1,0,0]=2 2234 B11R0.176 CCCC(=O)NCCCC(=O)N 527a_100000739312_100000211992 [0,0,0,0,0,1|1,0,0]=2 2235 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,0,0,0,0,1|2,0,1]=4 2236 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,0,0,0,0,1|2,0,1]=4 2237 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,0,0,0,0,1|2,0,1]=4 2238 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,0,0,0,0,1|2,0,1]=4 2239 B11R0.176 CCCC(=O)NCCCN(C)C 240690a_102531767803_100000211992 [0,0,0,0,0,1|3,0,0]=4 2240 B11R0.176 CCCC(=O)NCCCN(C)C 527a_102531767803_100000211992 [0,0,0,0,0,1|3,0,0]=4 2241 B11R0.176 CCCC(=O)NCCCS(=O)C 11a_200000753449_100000211992 [0,0,0,0,0,1|2,0,0]=3 2242 B11R0.176 CCCC(=O)NCCCS(=O)C 240690a_200000753449_100000211992 [0,0,0,0,0,1|2,0,0]=3 2243 B11R0.176 CCCC(=O)NCCCS(=O)C 527a_200000753449_100000211992 [0,0,0,0,0,1|2,0,0]=3 2244 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [0,0,0,0,0,1|2,0,0]=3 2245 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [0,0,0,0,0,1|2,0,0]=3 2246 B11R0.176 CCCC(=O)NCCNC(=O)N 240690a_100020590234_100000211992 [0,0,0,0,0,1|2,0,0]=3 2247 B11R0.176 CCCC(=O)NCCNC(=O)N 527a_100020590234_100000211992 [0,0,0,0,0,1|2,0,0]=3 2248 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [0,0,0,0,0,1|2,0,0]=3 2249 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [0,0,0,0,0,1|2,0,0]=3 2250 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [0,0,0,0,0,1|2,0,0]=3 2251 B11R0.176 CCCC(=O)NCCSC(=O)C 11a_100020647217_100000211992 [0,0,0,0,0,1|2,0,0]=3 2252 B11R0.176 CCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211992 [0,0,0,0,0,1|2,0,0]=3 2253 B11R0.176 CCCC(=O)NCCSC(=O)C 527a_100020647217_100000211992 [0,0,0,0,0,1|2,0,0]=3 2254 B11R0.176 CCCC(=O)OCNCC(=O)N 2230a_100000711301_100000034017 [0,0,0,0,0,1|2,0,0]=3 2255 B11R0.176 CCCC(=O)OCNCC(=O)O 269956a_100016091260_100000034017 [0,0,0,0,0,1|1,0,0]=2 2256 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,0,0,0,0,1|2,0,1]=4 2257 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,0,0,0,0,1|2,0,1]=4 2258 B11R0.176 CCCC(=O)OCOCC(=O)C 34a_100000211253_100000034017 [0,0,0,0,0,1|2,0,0]=3 2259 B11R0.176 CCCC(=O)OCSCC(=O)N 62a_100000747473_100000034017 [0,0,0,0,0,1|2,0,0]=3 2260 B11R0.176 CCCC(=O)OCSCC(=O)[O-] 62a_100020667443_100000034017 [0,0,0,0,0,1|1,0,1]=3 2261 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,0,0,0,0,1|2,0,1]=4 2262 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,0,0,0,0,1|2,0,1]=4 2263 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [0,0,0,0,0,1|2,0,1]=4 2264 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [0,0,0,0,0,1|2,0,1]=4 2265 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [0,0,0,0,0,1|1,0,2]=4 2266 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [0,0,0,0,0,1|2,0,1]=4 2267 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,0,0,0,0,1|2,0,1]=4 2268 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,0,0,0,0,1|2,0,1]=4 2269 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,0,0,0,0,1|2,0,1]=4 2270 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [0,0,0,0,0,1|2,0,1]=4 2271 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [0,0,0,0,0,1|2,0,1]=4 2272 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [0,0,0,0,0,1|2,0,1]=4 2273 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [0,0,0,0,0,1|2,0,1]=4 2274 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,0,0,0,0,1|2,0,1]=4 2275 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,0,0,0,0,1|2,0,1]=4 2276 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [0,0,0,0,0,1|2,0,1]=4 2277 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [0,0,0,0,0,1|2,0,1]=4 2278 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [0,0,0,0,0,1|2,0,1]=4 2279 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,0,0,0,0,1|2,0,1]=4 2280 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,0,0,0,0,1|2,0,1]=4 2281 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,0,0,0,0,1|2,0,1]=4 2282 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,0,0,0,0,1|2,0,1]=4 2283 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [0,0,0,0,0,1|2,0,1]=4 2284 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [0,0,0,0,0,1|2,0,1]=4 2285 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,0,0,0,0,1|2,0,1]=4 2286 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,0,0,0,0,1|2,0,1]=4 2287 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [0,0,0,0,0,1|2,0,1]=4 2288 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [0,0,0,0,0,1|2,0,1]=4 2289 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,0,0,0,0,1|3,0,0]=4 2290 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [0,0,0,0,0,1|3,0,0]=4 2291 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [0,0,0,0,0,1|3,0,0]=4 2292 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [0,0,0,0,0,1|3,0,0]=4 2293 B11R0.176 CCCN(C)CCOCC(=O)N 2230a_100000747261_100000076697 [0,0,0,0,0,1|3,0,0]=4 2294 B11R0.176 CCCN(C)CCOCC(=O)N 269982a_100000747261_100000076697 [0,0,0,0,0,1|3,0,0]=4 2295 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [0,0,0,0,0,1|2,0,1]=4 2296 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [0,0,0,0,0,1|1,0,2]=4 2297 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [0,0,0,0,0,1|2,0,1]=4 2298 B11R0.176 CCNC(=O)CCCN=C(N)N 240690a_100015525214_100000034108 [0,0,0,0,0,1|3,0,0]=4 2299 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,0,0,0,0,1|2,0,0]=3 2300 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,0,0,0,0,1|2,0,0]=3 2301 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,0,0,0,0,1|2,0,0]=3 2302 B11R0.176 CCNC(=O)CCNCC(=O)N 2230a_100000711301_100000737597 [0,0,0,0,0,1|2,0,0]=3 2303 B11R0.176 CCNC(=O)CCNCC(=O)N 34a_100025743525_100000187820 [0,0,0,0,0,1|2,0,0]=3 2304 B11R0.176 CCNC(=O)CCNCC(=O)O 269956a_100016091260_100000737597 [0,0,0,0,0,1|1,0,0]=2 2305 B11R0.176 CCNC(=O)CCNCC(=O)[O-] 34a_100025743525_100020667443 [0,0,0,0,0,1|1,0,1]=3 2306 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [0,0,0,0,0,1|2,0,1]=4 2307 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [0,0,0,0,0,1|2,0,1]=4 2308 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [0,0,0,0,0,1|2,0,1]=4 2309 B11R0.176 CCNC(=O)CCNC[N+](=O)[O-] 34a_100025743525_100000761209 [0,0,0,0,0,1|2,0,1]=4 2310 B11R0.176 CCNC(=O)CCSCC(=O)N 11a_100015525214_100000148550 [0,0,0,0,0,1|2,0,0]=3 2311 B11R0.176 CCNC(=O)CCSCC(=O)N 240690a_100015525214_100000148550 [0,0,0,0,0,1|2,0,0]=3 2312 B11R0.176 CCNC(=O)CCSCC(=O)N 527a_100015525214_100000148550 [0,0,0,0,0,1|2,0,0]=3 2313 B11R0.176 CCNC(=O)CCSCC(=O)N 62a_100000737597_100000747473 [0,0,0,0,0,1|2,0,0]=3 2314 B11R0.176 CCNC(=O)CCSCC(=O)N 62a_100000747473_100000737597 [0,0,0,0,0,1|2,0,0]=3 2315 B11R0.176 CCNC(=O)CCSCC(=O)[O-] 62a_100000737597_100020667443 [0,0,0,0,0,1|1,0,1]=3 2316 B11R0.176 CCNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737597 [0,0,0,0,0,1|1,0,1]=3 2317 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [0,0,0,0,0,1|2,0,1]=4 2318 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [0,0,0,0,0,1|2,0,1]=4 2319 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [0,0,0,0,0,1|2,0,1]=4 2320 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [0,0,0,0,0,1|2,0,1]=4 2321 B11R0.176 CCNC(=O)CCSC[N+](=O)[O-] 62a_100000737597_100000761209 [0,0,0,0,0,1|2,0,1]=4 2322 B11R0.176 CCNC(=O)CNCCC(=O)N 2230a_100016988866_100000744528 [0,0,0,0,0,1|2,0,0]=3 2323 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [0,0,0,0,0,1|2,0,1]=4 2324 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [0,0,0,0,0,1|2,0,1]=4 2325 B11R0.176 CCNC(=O)CNOCC(=O)O 269956a_100000106656_100000183381 [0,0,0,0,0,1|2,0,0]=3 2326 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,0,0,0,0,1|2,0,0]=3 2327 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,0,0,0,0,1|2,0,0]=3 2328 B11R0.176 CCNC(=O)COCCC(=O)N 34a_100000757172_100000183381 [0,0,0,0,0,1|2,0,0]=3 2329 B11R0.176 CCNC(=O)COCCC(=O)N 7a_100000757172_100000183381 [0,0,0,0,0,1|2,0,0]=3 2330 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [0,0,0,0,0,1|2,0,0]=3 2331 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [0,0,0,0,0,1|2,0,0]=3 2332 B11R0.176 CCNC(=O)CSCCC(=O)N 62a_100000183381_100000744528 [0,0,0,0,0,1|2,0,0]=3 2333 B11R0.176 CCNC(=O)CSCCC(=O)N 62a_100000744528_100000183381 [0,0,0,0,0,1|2,0,0]=3 2334 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [0,0,0,0,0,1|2,0,1]=4 2335 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [0,0,0,0,0,1|2,0,1]=4 2336 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000076356_100000183381 [0,0,0,0,0,1|3,0,0]=4 2337 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000183381_100000076356 [0,0,0,0,0,1|3,0,0]=4 2338 B11R0.176 CCNC(=O)NCCCC(=O)N 273464a_100000739312_100015525214 [0,0,0,0,0,1|2,0,0]=3 2339 B11R0.176 CCNC(=O)NCCCC(=O)N 273464a_100015525214_100000739312 [0,0,0,0,0,1|2,0,0]=3 2340 B11R0.176 CCNC(=O)NCCCC(=O)N 512a_100000739312_100015525214 [0,0,0,0,0,1|2,0,0]=3 2341 B11R0.176 CCNC(=O)NCCCC(=O)N 512a_100015525214_100000739312 [0,0,0,0,0,1|2,0,0]=3 2342 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_100015525214_200000753449 [0,0,0,0,0,1|3,0,0]=4 2343 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_200000753449_100015525214 [0,0,0,0,0,1|3,0,0]=4 2344 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_100015525214_200000753449 [0,0,0,0,0,1|3,0,0]=4 2345 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_200000753449_100015525214 [0,0,0,0,0,1|3,0,0]=4 2346 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_100015525214_200000753449 [0,0,0,0,0,1|3,0,0]=4 2347 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_200000753449_100015525214 [0,0,0,0,0,1|3,0,0]=4 2348 B11R0.176 CCNC(=O)NCCNC(=O)C 2708a_100000209853_100015525214 [0,0,0,0,0,1|3,0,0]=4 2349 B11R0.176 CCNC(=O)NCCNC(=O)C 2708a_100015525214_100000209853 [0,0,0,0,0,1|3,0,0]=4 2350 B11R0.176 CCNC(=O)NCCNC(=O)C 273464a_100000209853_100015525214 [0,0,0,0,0,1|3,0,0]=4 2351 B11R0.176 CCNC(=O)NCCNC(=O)C 273464a_100015525214_100000209853 [0,0,0,0,0,1|3,0,0]=4 2352 B11R0.176 CCNC(=O)NCCNC(=O)C 512a_100000209853_100015525214 [0,0,0,0,0,1|3,0,0]=4 2353 B11R0.176 CCNC(=O)NCCNC(=O)C 512a_100015525214_100000209853 [0,0,0,0,0,1|3,0,0]=4 2354 B11R0.176 CCNC(=O)NCCNC(=O)N 2708a_100015525214_100020590234 [0,0,0,0,0,1|3,0,0]=4 2355 B11R0.176 CCNC(=O)NCCNC(=O)N 273464a_100015525214_100020590234 [0,0,0,0,0,1|3,0,0]=4 2356 B11R0.176 CCNC(=O)NCCNC(=O)N 273464a_100020590234_100015525214 [0,0,0,0,0,1|3,0,0]=4 2357 B11R0.176 CCNC(=O)NCCNC(=O)N 512a_100015525214_100020590234 [0,0,0,0,0,1|3,0,0]=4 2358 B11R0.176 CCNC(=O)NCCNC(=O)N 512a_100020590234_100015525214 [0,0,0,0,0,1|3,0,0]=4 2359 B11R0.176 CCNC(=O)NCCOC(=O)C 2708a_100015525214_100000724843 [0,0,0,0,0,1|3,0,0]=4 2360 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100000724843_100015525214 [0,0,0,0,0,1|3,0,0]=4 2361 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100015525214_100000724843 [0,0,0,0,0,1|3,0,0]=4 2362 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100000724843_100015525214 [0,0,0,0,0,1|3,0,0]=4 2363 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100015525214_100000724843 [0,0,0,0,0,1|3,0,0]=4 2364 B11R0.176 CCNC(=O)NCCSC(=O)C 2708a_100015525214_100020647217 [0,0,0,0,0,1|3,0,0]=4 2365 B11R0.176 CCNC(=O)NCCSC(=O)C 2708a_100020647217_100015525214 [0,0,0,0,0,1|3,0,0]=4 2366 B11R0.176 CCNC(=O)NCCSC(=O)C 273464a_100015525214_100020647217 [0,0,0,0,0,1|3,0,0]=4 2367 B11R0.176 CCNC(=O)NCCSC(=O)C 273464a_100020647217_100015525214 [0,0,0,0,0,1|3,0,0]=4 2368 B11R0.176 CCNC(=O)NCCSC(=O)C 512a_100015525214_100020647217 [0,0,0,0,0,1|3,0,0]=4 2369 B11R0.176 CCNC(=O)NCCSC(=O)C 512a_100020647217_100015525214 [0,0,0,0,0,1|3,0,0]=4 2370 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,0,0,0,0,1|2,0,0]=3 2371 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,0,0,0,0,1|2,0,0]=3 2372 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,0,0,0,0,1|2,0,0]=3 2373 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,0,0,0,0,1|2,0,0]=3 2374 B11R0.176 CCOC(=O)CCNCC(=O)N 2230a_100000711301_100011206558 [0,0,0,0,0,1|2,0,0]=3 2375 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,0,0,0,0,1|1,0,0]=2 2376 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,0,0,0,0,1|2,0,1]=4 2377 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,0,0,0,0,1|2,0,1]=4 2378 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,0,0,0,0,1|2,0,0]=3 2379 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000747473_100000765890 [0,0,0,0,0,1|2,0,0]=3 2380 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000765890_100000747473 [0,0,0,0,0,1|2,0,0]=3 2381 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100000765890_100020667443 [0,0,0,0,0,1|1,0,1]=3 2382 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100020667443_100000765890 [0,0,0,0,0,1|1,0,1]=3 2383 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,0,0,0,0,1|2,0,1]=4 2384 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,0,0,0,0,1|2,0,1]=4 2385 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,0,0,0,0,1|2,0,1]=4 2386 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,0,0,0,0,1|2,0,1]=4 2387 B11R0.176 CCOC(=O)CCSC[N+](=O)[O-] 62a_100000765890_100000761209 [0,0,0,0,0,1|2,0,1]=4 2388 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,0,0,0,0,1|2,0,1]=4 2389 B11R0.176 CCOC(=O)CNOCC(=O)O 269956a_100000106656_100000188475 [0,0,0,0,0,1|2,0,0]=3 2390 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,0,0,0,0,1|2,0,0]=3 2391 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,0,0,0,0,1|2,0,0]=3 2392 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,0,0,0,0,1|2,0,0]=3 2393 B11R0.176 CCOC(=O)COCCC(=O)N 34a_100000757172_100000188475 [0,0,0,0,0,1|2,0,0]=3 2394 B11R0.176 CCOC(=O)COCCC(=O)N 7a_100000757172_100000188475 [0,0,0,0,0,1|2,0,0]=3 2395 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,0,0,0,0,1|2,0,0]=3 2396 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,0,0,0,0,1|2,0,0]=3 2397 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000188475_100000744528 [0,0,0,0,0,1|2,0,0]=3 2398 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000744528_100000188475 [0,0,0,0,0,1|2,0,0]=3 2399 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,0,0,0,0,1|2,0,1]=4 2400 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,0,0,0,0,1|2,0,1]=4 2401 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,0,0,0,0,1|3,0,0]=4 2402 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,0,0,0,0,1|3,0,0]=4 2403 B11R0.176 CCOC(=O)OCSCC(=O)N 62a_100000747473_100000075025 [0,0,0,0,0,1|3,0,0]=4 2404 B11R0.176 CCOC(=O)OCSCC(=O)[O-] 62a_100020667443_100000075025 [0,0,0,0,0,1|2,0,1]=4 2405 B11R0.176 CNNC(=O)CCCNC(=O)C 22a_100016993582_100000194741 [0,0,0,0,0,1|3,0,0]=4 2406 B11R0.176 CNNC(=O)CCSCC(=O)N 22a_100016993582_100000148550 [0,0,0,0,0,1|3,0,0]=4 2407 B11R0.176 CNNC(=O)NCCCC(=O)N 273464a_100000739312_100016993582 [0,0,0,0,0,1|3,0,0]=4 2408 B11R0.176 CNNC(=O)NCCCC(=O)N 512a_100000739312_100016993582 [0,0,0,0,0,1|3,0,0]=4 2409 B11R0.176 CNNC(=O)NCCCC(=O)N 512a_100016993582_100000739312 [0,0,0,0,0,1|3,0,0]=4 2410 B11R0.176 COCC(=O)CCCCB(O)O 1458a_100000210968_200009817182 [0,0,0,0,0,1|2,0,1]=4 2411 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,0,0,0,0,1|2,0,0]=3 2412 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [0,0,0,0,0,1|2,0,0]=3 2413 B11R0.176 COCC(=O)CCCOC(=S)C 1458a_100000210968_200135323944 [0,0,0,0,0,1|2,1,0]=4 2414 B11R0.176 COCC(=O)CCCSC(=O)C 1458a_100000210968_100000038929 [0,0,0,0,0,1|2,0,0]=3 2415 B11R0.176 COCC(=O)CCOCC(=O)N 1458a_100000210968_100000076697 [0,0,0,0,0,1|2,0,0]=3 2416 B11R0.176 COCC(=O)NCCCC(=O)N 240690a_100000739312_100000210968 [0,0,0,0,0,1|2,0,0]=3 2417 B11R0.176 COCC(=O)NCCCC(=O)N 527a_100000739312_100000210968 [0,0,0,0,0,1|2,0,0]=3 2418 B11R0.176 COCC(=O)NCCCS(=O)C 11a_200000753449_100000210968 [0,0,0,0,0,1|3,0,0]=4 2419 B11R0.176 COCC(=O)NCCCS(=O)C 240690a_200000753449_100000210968 [0,0,0,0,0,1|3,0,0]=4 2420 B11R0.176 COCC(=O)NCCCS(=O)C 527a_200000753449_100000210968 [0,0,0,0,0,1|3,0,0]=4 2421 B11R0.176 COCC(=O)NCCNC(=O)C 240690a_100000209853_100000210968 [0,0,0,0,0,1|3,0,0]=4 2422 B11R0.176 COCC(=O)NCCNC(=O)C 527a_100000209853_100000210968 [0,0,0,0,0,1|3,0,0]=4 2423 B11R0.176 COCC(=O)NCCNC(=O)N 240690a_100020590234_100000210968 [0,0,0,0,0,1|3,0,0]=4 2424 B11R0.176 COCC(=O)NCCNC(=O)N 527a_100020590234_100000210968 [0,0,0,0,0,1|3,0,0]=4 2425 B11R0.176 COCC(=O)NCCOC(=O)C 11a_100000724843_100000210968 [0,0,0,0,0,1|3,0,0]=4 2426 B11R0.176 COCC(=O)NCCOC(=O)C 240690a_100000724843_100000210968 [0,0,0,0,0,1|3,0,0]=4 2427 B11R0.176 COCC(=O)NCCOC(=O)C 527a_100000724843_100000210968 [0,0,0,0,0,1|3,0,0]=4 2428 B11R0.176 COCC(=O)NCCSC(=O)C 11a_100020647217_100000210968 [0,0,0,0,0,1|3,0,0]=4 2429 B11R0.176 COCC(=O)NCCSC(=O)C 240690a_100020647217_100000210968 [0,0,0,0,0,1|3,0,0]=4 2430 B11R0.176 COCC(=O)NCCSC(=O)C 527a_100020647217_100000210968 [0,0,0,0,0,1|3,0,0]=4 2431 B11R0.176 CS(=O)CCCNC(=O)CCO 240690a_200000753449_100011216618 [0,0,0,0,0,1|3,0,0]=4 2432 B11R0.176 CSCC(=O)CCCCB(O)O 1458a_100000184570_200009817182 [0,0,0,0,0,1|2,0,1]=4 2433 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,0,0,0,0,1|2,0,0]=3 2434 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [0,0,0,0,0,1|2,0,0]=3 2435 B11R0.176 CSCC(=O)CCCOC(=S)C 1458a_100000184570_200135323944 [0,0,0,0,0,1|2,1,0]=4 2436 B11R0.176 CSCC(=O)CCCSC(=O)C 1458a_100000184570_100000038929 [0,0,0,0,0,1|2,0,0]=3 2437 B11R0.176 CSCC(=O)CCOCC(=O)N 1458a_100000184570_100000076697 [0,0,0,0,0,1|2,0,0]=3 2438 B11R0.176 CSCC(=O)NCCCC(=O)N 240690a_100000739312_100000184570 [0,0,0,0,0,1|2,0,0]=3 2439 B11R0.176 CSCC(=O)NCCCC(=O)N 527a_100000739312_100000184570 [0,0,0,0,0,1|2,0,0]=3 2440 B11R0.176 CSCC(=O)NCCCS(=O)C 11a_200000753449_100000184570 [0,0,0,0,0,1|3,0,0]=4 2441 B11R0.176 CSCC(=O)NCCCS(=O)C 240690a_200000753449_100000184570 [0,0,0,0,0,1|3,0,0]=4 2442 B11R0.176 CSCC(=O)NCCCS(=O)C 527a_200000753449_100000184570 [0,0,0,0,0,1|3,0,0]=4 2443 B11R0.176 CSCC(=O)NCCNC(=O)C 240690a_100000209853_100000184570 [0,0,0,0,0,1|3,0,0]=4 2444 B11R0.176 CSCC(=O)NCCNC(=O)C 527a_100000209853_100000184570 [0,0,0,0,0,1|3,0,0]=4 2445 B11R0.176 CSCC(=O)NCCNC(=O)N 240690a_100020590234_100000184570 [0,0,0,0,0,1|3,0,0]=4 2446 B11R0.176 CSCC(=O)NCCNC(=O)N 527a_100020590234_100000184570 [0,0,0,0,0,1|3,0,0]=4 2447 B11R0.176 CSCC(=O)NCCOC(=O)C 11a_100000724843_100000184570 [0,0,0,0,0,1|3,0,0]=4 2448 B11R0.176 CSCC(=O)NCCOC(=O)C 240690a_100000724843_100000184570 [0,0,0,0,0,1|3,0,0]=4 2449 B11R0.176 CSCC(=O)NCCOC(=O)C 527a_100000724843_100000184570 [0,0,0,0,0,1|3,0,0]=4 2450 B11R0.176 CSCC(=O)NCCSC(=O)C 11a_100020647217_100000184570 [0,0,0,0,0,1|3,0,0]=4 2451 B11R0.176 CSCC(=O)NCCSC(=O)C 240690a_100020647217_100000184570 [0,0,0,0,0,1|3,0,0]=4 2452 B11R0.176 CSCC(=O)NCCSC(=O)C 527a_100020647217_100000184570 [0,0,0,0,0,1|3,0,0]=4 2453 B11R0.176 N#CCC(=O)CCOCC(=O)N 1458a_100051588842_100000076697 [0,0,0,0,0,1|2,0,1]=4 2454 B11R0.176 N#CCC(=O)CCSCC(=O)N 1458a_100000148550_100011214920 [0,0,0,0,0,1|2,0,1]=4 2455 B11R0.176 N#CCC(=O)NCCCC(=O)N 240690a_100000739312_100051588842 [0,0,0,0,0,1|2,0,1]=4 2456 B11R0.176 NC(=NCCCC(=O)CCF)N 1458a_100000034108_100011217306 [0,0,0,0,0,1|3,0,0]=4 2457 B11R0.176 NC(=NCCCC(=O)CCO)N 1458a_100000034108_100000211926 [0,0,0,0,0,1|3,0,0]=4 2458 B11R0.176 NC(=O)CCCNC(=O)CCO 240690a_100000739312_100011216618 [0,0,0,0,0,1|2,0,0]=3 2459 B11R0.176 NC(=O)CCOCC(=O)NCO 34a_100000757172_100000185155 [0,0,0,0,0,1|3,0,0]=4 2460 B11R0.176 NC(=O)CCOCC(=O)NCO 7a_100000757172_100000185155 [0,0,0,0,0,1|3,0,0]=4 2461 B11R0.176 NC(=O)CCSCC(=O)NCO 62a_100000185155_100000744528 [0,0,0,0,0,1|3,0,0]=4 2462 B11R0.176 NC(=O)CCSCC(=O)NCO 62a_100000744528_100000185155 [0,0,0,0,0,1|3,0,0]=4 2463 B11R0.176 NC(=O)COCCC(=O)CCO 1458a_100011216618_100000076697 [0,0,0,0,0,1|2,0,0]=3 2464 B11R0.176 NC(=O)CSCCC(=O)CCF 1458a_100000148550_100011217306 [0,0,0,0,0,1|2,0,0]=3 2465 B11R0.176 NC(=O)CSCCC(=O)CCO 1458a_100000148550_100000211926 [0,0,0,0,0,1|2,0,0]=3 2466 B11R0.176 NC(=O)NCCNC(=O)CCO 240690a_100020590234_100011216618 [0,0,0,0,0,1|3,0,0]=4 2467 B11R0.176 O=C(CCO)CCCCB(O)O 1458a_100011216618_200009817182 [0,0,0,0,0,1|2,0,1]=4 2468 B11R0.176 O=C(O)CONCC(=O)NCO 269956a_100000106656_100000185155 [0,0,0,0,0,1|3,0,0]=4 2469 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [2,0,0,0,0,0|1,0,1]=4 2470 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [2,0,0,0,0,0|1,0,1]=4 2471 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [2,0,0,0,0,0|1,0,0]=3 2472 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [2,0,0,0,0,0|1,0,0]=3 2473 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [2,0,0,0,0,0|2,0,0]=4 2474 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [2,0,0,0,0,0|2,0,0]=4 2475 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [2,0,0,0,0,0|2,0,0]=4 2476 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [2,0,0,0,0,0|2,0,0]=4 2477 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [2,0,0,0,0,0|2,0,0]=4 2478 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [2,0,0,0,0,0|2,0,0]=4 2479 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [2,0,0,0,0,0|2,0,0]=4 2480 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [2,0,0,0,0,0|2,0,0]=4 2481 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [2,0,0,0,0,0|2,0,0]=4 2482 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [2,0,0,0,0,0|2,0,0]=4 2483 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [2,0,0,0,0,0|2,0,0]=4 2484 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [2,0,0,0,0,0|2,0,0]=4 2485 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [2,0,0,0,0,0|2,0,0]=4 2486 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [2,0,0,0,0,0|2,0,0]=4 2487 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [2,0,0,0,0,0|2,0,0]=4 2488 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [2,0,0,0,0,0|1,0,1]=4 2489 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [2,0,0,0,0,0|1,0,1]=4 2490 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|1,0,1]=4 2491 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|0,0,1]=3 2492 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|0,0,1]=3 2493 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|2,0,0]=4 2494 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|2,0,0]=4 2495 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|2,0,0]=4 2496 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [2,0,0,0,0,0|1,0,0]=3 2497 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [2,0,0,0,0,0|1,0,1]=4 2498 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [2,0,0,0,0,0|1,0,1]=4 2499 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [2,0,0,0,0,0|1,0,0]=3 2500 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [2,0,0,0,0,0|1,0,0]=3 2501 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [2,0,0,0,0,0|1,0,1]=4 2502 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [2,0,0,0,0,0|1,0,1]=4 2503 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [2,0,0,0,0,0|1,0,1]=4 2504 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [2,0,0,0,0,0|1,0,1]=4 2505 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|1,0,1]=4 2506 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|1,0,1]=4 2507 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [2,0,0,0,0,0|2,0,0]=4 2508 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [2,0,0,0,0,0|2,0,0]=4 2509 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|1,0,1]=4 2510 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [2,0,0,0,0,0|2,0,0]=4 2511 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [2,0,0,0,0,0|2,0,0]=4 2512 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [2,0,0,0,0,0|2,0,0]=4 2513 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [2,0,0,0,0,0|2,0,0]=4 2514 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [2,0,0,0,0,0|2,0,0]=4 2515 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [2,0,0,0,0,0|2,0,0]=4 2516 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [2,0,0,0,0,0|1,0,1]=4 2517 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [2,0,0,0,0,0|1,0,1]=4 2518 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [2,0,0,0,0,0|1,0,1]=4 2519 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|2,0,0]=4 2520 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|2,0,0]=4 2521 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|2,0,0]=4 2522 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|2,0,0]=4 2523 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|2,0,0]=4 2524 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [2,0,0,0,0,0|1,0,1]=4 2525 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [2,0,0,0,0,0|1,0,1]=4 2526 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [2,0,0,0,0,0|1,0,1]=4 2527 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|1,0,0]=3 2528 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|1,0,0]=3 2529 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|1,0,0]=3 2530 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 2531 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 2532 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 2533 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|2,0,0]=4 2534 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [2,0,0,0,0,0|2,0,0]=4 2535 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [2,0,0,0,0,0|2,0,0]=4 2536 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [2,0,0,0,0,0|2,0,0]=4 2537 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|1,0,0]=3 2538 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|2,0,0]=4 2539 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|2,0,0]=4 2540 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|2,0,0]=4 2541 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 2542 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 2543 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|2,0,0]=4 2544 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [2,0,0,0,0,0|1,0,1]=4 2545 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|2,0,0]=4 2546 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|2,0,0]=4 2547 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|2,0,0]=4 2548 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|2,0,0]=4 2549 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [2,0,0,0,0,0|1,0,1]=4 2550 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [2,0,0,0,0,0|1,0,1]=4 2551 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [2,0,0,0,0,0|2,0,0]=4 2552 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|2,0,0]=4 2553 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|2,0,0]=4 2554 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|2,0,0]=4 2555 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|2,0,0]=4 2556 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 2557 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 2558 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|2,0,0]=4 2559 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|2,0,0]=4 2560 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|2,0,0]=4 2561 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|2,0,0]=4 2562 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [2,0,0,0,0,0|2,0,0]=4 2563 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|2,0,0]=4 2564 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|2,0,0]=4 2565 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|2,0,0]=4 2566 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|2,0,0]=4 2567 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [2,0,0,0,0,0|2,0,0]=4 2568 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [2,0,0,0,0,0|2,0,0]=4 2569 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|2,0,0]=4 2570 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|2,0,0]=4 2571 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|2,0,0]=4 2572 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|2,0,0]=4 2573 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|2,0,0]=4 2574 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|2,0,0]=4 2575 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|2,0,0]=4 2576 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [2,0,0,0,0,0|2,0,0]=4 2577 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|2,0,0]=4 2578 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|2,0,0]=4 2579 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 2580 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 2581 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [2,0,0,0,0,0|2,0,0]=4 2582 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|2,0,0]=4 2583 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|2,0,0]=4 2584 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [2,0,0,0,0,0|2,0,0]=4 2585 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [2,0,0,0,0,0|2,0,0]=4 2586 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [2,0,0,0,0,0|2,0,0]=4 2587 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|2,0,0]=4 2588 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|2,0,0]=4 2589 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [2,0,0,0,0,0|2,0,0]=4 2590 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 2591 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 2592 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [2,0,0,0,0,0|2,0,0]=4 2593 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [2,0,0,0,0,0|1,0,0]=3 2594 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [2,0,0,0,0,0|1,0,0]=3 2595 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [2,0,0,0,0,0|1,0,1]=4 2596 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [2,0,0,0,0,0|1,0,1]=4 2597 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [2,0,0,0,0,0|2,0,0]=4 2598 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [2,0,0,0,0,0|2,0,0]=4 2599 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [2,0,0,0,0,0|2,0,0]=4 2600 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [2,0,0,0,0,0|2,0,0]=4 2601 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [2,0,0,0,0,0|2,0,0]=4 2602 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [2,0,0,0,0,0|2,0,0]=4 2603 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [2,0,0,0,0,0|2,0,0]=4 2604 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [2,0,0,0,0,0|2,0,0]=4 2605 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [2,0,0,0,0,0|2,0,0]=4 2606 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [2,0,0,0,0,0|1,0,1]=4 2607 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [2,0,0,0,0,0|2,0,0]=4 2608 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [2,0,0,0,0,0|2,0,0]=4 2609 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [2,0,0,0,0,0|2,0,0]=4 2610 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [2,0,0,0,0,0|2,0,0]=4 2611 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [2,0,0,0,0,0|2,0,0]=4 2612 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [2,0,0,0,0,0|2,0,0]=4 2613 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [2,0,0,0,0,0|2,0,0]=4 2614 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [2,0,0,0,0,0|2,0,0]=4 2615 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [2,0,0,0,0,0|2,0,0]=4 2616 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [2,0,0,0,0,0|1,0,1]=4 2617 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [2,0,0,0,0,0|2,0,0]=4 2618 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [2,0,0,0,0,0|2,0,0]=4 2619 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|2,0,0]=4 2620 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|2,0,0]=4 2621 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|2,0,0]=4 2622 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|2,0,0]=4 2623 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|2,0,0]=4 2624 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|2,0,0]=4 2625 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|2,0,0]=4 2626 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [2,0,0,0,0,0|1,0,1]=4 2627 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [2,0,0,0,0,0|1,0,1]=4 2628 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [2,0,0,0,0,0|1,0,1]=4 2629 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,1]=4 2630 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,1]=4 2631 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,1]=4 2632 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,1]=4 2633 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,1]=4 2634 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|1,0,1]=4 2635 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,1]=4 2636 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,1]=4 2637 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|1,0,0]=3 2638 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|1,0,0]=3 2639 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,0,1]=4 2640 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,0,1]=4 2641 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|1,0,1]=4 2642 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|1,0,1]=4 2643 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|1,0,1]=4 2644 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|1,0,1]=4 2645 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|1,0,1]=4 2646 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [2,0,0,0,0,0|2,0,0]=4 2647 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [2,0,0,0,0,0|2,0,0]=4 2648 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,1]=4 2649 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,1]=4 2650 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [2,0,0,0,0,0|2,0,0]=4 2651 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [2,0,0,0,0,0|2,0,0]=4 2652 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [2,0,0,0,0,0|2,0,0]=4 2653 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [2,0,0,0,0,0|2,0,0]=4 2654 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [2,0,0,0,0,0|2,0,0]=4 2655 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [2,0,0,0,0,0|2,0,0]=4 2656 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [2,0,0,0,0,0|2,0,0]=4 2657 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,1]=4 2658 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,1]=4 2659 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [2,0,0,0,0,0|0,0,2]=4 2660 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [2,0,0,0,0,0|0,0,2]=4 2661 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [2,0,0,0,0,0|0,0,2]=4 2662 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [2,0,0,0,0,0|1,0,1]=4 2663 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [2,0,0,0,0,0|0,0,2]=4 2664 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [2,0,0,0,0,0|0,0,1]=3 2665 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [2,0,0,0,0,0|0,0,1]=3 2666 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [2,0,0,0,0,0|1,0,1]=4 2667 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [2,0,0,0,0,0|1,0,1]=4 2668 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [2,0,0,0,0,0|1,0,1]=4 2669 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [2,0,0,0,0,0|1,0,1]=4 2670 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [2,0,0,0,0,0|1,0,1]=4 2671 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [2,0,0,0,0,0|1,0,1]=4 2672 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [2,0,0,0,0,0|1,0,1]=4 2673 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [2,0,0,0,0,0|1,0,1]=4 2674 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [2,0,0,0,0,0|1,0,1]=4 2675 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [2,0,0,0,0,0|1,0,1]=4 2676 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [2,0,0,0,0,0|1,0,1]=4 2677 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [2,0,0,0,0,0|0,0,2]=4 2678 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [2,0,0,0,0,0|0,0,2]=4 2679 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [2,0,0,0,0,0|1,0,1]=4 2680 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [2,0,0,0,0,0|1,0,1]=4 2681 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [2,0,0,0,0,0|0,0,2]=4 2682 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [2,0,0,0,0,0|1,0,1]=4 2683 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [2,0,0,0,0,0|1,0,1]=4 2684 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [2,0,0,0,0,0|1,0,0]=3 2685 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [2,0,0,0,0,0|0,0,0]=2 2686 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [2,0,0,0,0,0|1,0,1]=4 2687 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [2,0,0,0,0,0|1,0,1]=4 2688 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [2,0,0,0,0,0|1,0,1]=4 2689 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [2,0,0,0,0,0|1,0,1]=4 2690 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [2,0,0,0,0,0|1,0,1]=4 2691 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [2,0,0,0,0,0|1,0,1]=4 2692 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [2,0,0,0,0,0|1,0,1]=4 2693 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [2,0,0,0,0,0|1,0,1]=4 2694 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [2,0,0,0,0,0|1,0,1]=4 2695 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [2,0,0,0,0,0|2,0,0]=4 2696 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [2,0,0,0,0,0|2,0,0]=4 2697 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 2698 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 2699 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 2700 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 2701 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [2,0,0,0,0,0|1,0,0]=3 2702 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [2,0,0,0,0,0|1,0,0]=3 2703 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|0,0,1]=3 2704 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|0,0,1]=3 2705 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [2,0,0,0,0,0|1,0,1]=4 2706 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [2,0,0,0,0,0|1,0,1]=4 2707 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [2,0,0,0,0,0|1,0,1]=4 2708 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [2,0,0,0,0,0|1,0,1]=4 2709 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [2,0,0,0,0,0|1,0,1]=4 2710 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [2,0,0,0,0,0|1,0,1]=4 2711 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [2,0,0,0,0,0|1,0,1]=4 2712 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [2,0,0,0,0,0|1,0,1]=4 2713 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [2,0,0,0,0,0|2,0,0]=4 2714 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [2,0,0,0,0,0|2,0,0]=4 2715 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [2,0,0,0,0,0|2,0,0]=4 2716 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [2,0,0,0,0,0|2,0,0]=4 2717 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 2718 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 2719 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 2720 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 2721 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [2,0,0,0,0,0|2,0,0]=4 2722 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [2,0,0,0,0,0|2,0,0]=4 2723 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [2,0,0,0,0,0|2,0,0]=4 2724 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [2,0,0,0,0,0|2,0,0]=4 2725 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [2,0,0,0,0,0|2,0,0]=4 2726 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [2,0,0,0,0,0|1,0,0]=3 2727 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [2,0,0,0,0,0|2,0,0]=4 2728 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [2,0,0,0,0,0|2,0,0]=4 2729 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [2,0,0,0,0,0|2,0,0]=4 2730 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [2,0,0,0,0,0|1,0,0]=3 2731 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [2,0,0,0,0,0|2,0,0]=4 2732 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [2,0,0,0,0,0|2,0,0]=4 2733 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [2,0,0,0,0,0|1,0,1]=4 2734 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [2,0,0,0,0,0|2,0,0]=4 2735 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [2,0,0,0,0,0|1,0,0]=3 2736 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [2,0,0,0,0,0|2,0,0]=4 2737 B10R0.44 CCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747405 [1,1,0,0,0,0|1,0,1]=4 2738 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [1,1,0,0,0,0|1,0,0]=3 2739 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [1,1,0,0,0,0|2,0,0]=4 2740 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [1,1,0,0,0,0|2,0,0]=4 2741 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [1,1,0,0,0,0|2,0,0]=4 2742 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [1,1,0,0,0,0|2,0,0]=4 2743 B10R0.57 CCC(=O)C(C)NCC(=O)N 2230a_100000711301_100000742827 [1,1,0,0,0,0|2,0,0]=4 2744 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [1,1,0,0,0,0|1,0,0]=3 2745 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000742827_100000747473 [1,1,0,0,0,0|2,0,0]=4 2746 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000747473_100000742827 [1,1,0,0,0,0|2,0,0]=4 2747 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100000742827_100020667443 [1,1,0,0,0,0|1,0,1]=4 2748 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000742827 [1,1,0,0,0,0|1,0,1]=4 2749 B10R0.57 CCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210414 [1,1,0,0,0,0|2,0,0]=4 2750 B10R0.57 CCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210414 [1,1,0,0,0,0|2,0,0]=4 2751 B10R0.57 CCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210414 [1,1,0,0,0,0|2,0,0]=4 2752 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [1,1,0,0,0,0|2,0,0]=4 2753 B10R0.57 CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000209862 [1,1,0,0,0,0|2,0,0]=4 2754 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [1,1,0,0,0,0|2,0,0]=4 2755 B10R0.59 C#CC(=O)CCCC(=O)NC 1458a_100000211873_100000741757 [1,1,0,0,0,0|2,0,0]=4 2756 B10R0.59 C#CC(=O)CCCC(=O)OC 1458a_100000211873_100011218270 [1,1,0,0,0,0|0,0,2]=4 2757 B10R0.59 C=CC(=O)CCCC(=O)NC 1458a_100000185746_100000741757 [1,1,0,0,0,0|2,0,0]=4 2758 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [1,1,0,0,0,0|0,0,2]=4 2759 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000065099_100000210202 [1,1,0,0,0,0|2,0,0]=4 2760 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000210414_100009813456 [1,1,0,0,0,0|2,0,0]=4 2761 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [1,1,0,0,0,0|1,0,0]=3 2762 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [1,1,0,0,0,0|0,0,0]=2 2763 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [1,1,0,0,0,0|0,0,0]=2 2764 B10R0.59 CCC(=O)CCCN(C)N=O 1458a_200000076914_100000210202 [1,1,0,0,0,0|2,0,0]=4 2765 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [1,1,0,0,0,0|2,0,0]=4 2766 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [1,1,0,0,0,0|2,0,0]=4 2767 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [1,1,0,0,0,0|1,0,0]=3 2768 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [1,1,0,0,0,0|2,0,0]=4 2769 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000183359_100000747405 [1,1,0,0,0,0|2,0,0]=4 2770 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000747405_100000183359 [1,1,0,0,0,0|2,0,0]=4 2771 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [1,1,0,0,0,0|1,0,0]=3 2772 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [1,1,0,0,0,0|1,0,0]=3 2773 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [1,1,0,0,0,0|1,0,0]=3 2774 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [1,1,0,0,0,0|2,0,0]=4 2775 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [1,1,0,0,0,0|2,0,0]=4 2776 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [1,1,0,0,0,0|2,0,0]=4 2777 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [1,1,0,0,0,0|1,0,0]=3 2778 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [1,1,0,0,0,0|2,0,0]=4 2779 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [1,1,0,0,0,0|2,0,0]=4 2780 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [1,1,0,0,0,0|2,0,0]=4 2781 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [1,1,0,0,0,0|2,0,0]=4 2782 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [1,1,0,0,0,0|1,0,0]=3 2783 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [1,1,0,0,0,0|1,0,0]=3 2784 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [1,1,0,0,0,0|1,0,0]=3 2785 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [1,1,0,0,0,0|1,0,0]=3 2786 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [1,1,0,0,0,0|1,0,0]=3 2787 B10R0.59 CNC(=O)CCNC(=O)CO 240690a_100000738227_100000210174 [1,1,0,0,0,0|2,0,0]=4 2788 B10R0.59 CNC(=O)CCNC(=O)CO 527a_100000738227_100000210174 [1,1,0,0,0,0|2,0,0]=4 2789 B10R0.59 CNC(=O)CNCC(=O)OC 2230a_100000693194_100000747449 [1,1,0,0,0,0|2,0,0]=4 2790 B10R0.59 CNC(=O)COCC(=O)OC 34a_100000750040_100000747449 [1,1,0,0,0,0|2,0,0]=4 2791 B10R0.59 CNC(=O)CSCC(=O)OC 11a_106832991635_100000191316 [1,1,0,0,0,0|2,0,0]=4 2792 B10R0.59 CNC(=O)CSCC(=O)OC 1626a_100102657272_100000191316 [1,1,0,0,0,0|2,0,0]=4 2793 B10R0.59 CNC(=O)CSCC(=O)OC 240690a_100102657272_100000191316 [1,1,0,0,0,0|2,0,0]=4 2794 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000183359_100000747449 [1,1,0,0,0,0|2,0,0]=4 2795 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000747449_100000183359 [1,1,0,0,0,0|2,0,0]=4 2796 B10R0.59 CNC(=O)OCCC(=O)CO 1458a_100000210174_200011997002 [1,1,0,0,0,0|2,0,0]=4 2797 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [1,1,0,0,0,0|1,0,0]=3 2798 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [1,1,0,0,0,0|1,0,0]=3 2799 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [1,1,0,0,0,0|2,0,0]=4 2800 B10R0.59 COC(=O)CSCC(=O)CF 1458a_100000191316_100015361967 [1,1,0,0,0,0|2,0,0]=4 2801 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [1,1,0,0,0,0|2,0,0]=4 2802 B10R0.60 CCC(=O)CCCS(=O)(=O)C 1458a_100000210414_100000754308 [1,1,0,0,0,0|1,0,1]=4 2803 B10R0.60 CCC(=O)CCCS(=O)(=O)N 1458a_100000210414_100000750626 [1,1,0,0,0,0|1,0,1]=4 2804 B10R0.60 CCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210202 [1,1,0,0,0,0|1,0,1]=4 2805 B10R0.60 CCC(=O)CCCS(=O)(=O)[O-] 1458a_100000210414_100009813499 [1,1,0,0,0,0|1,0,1]=4 2806 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [1,1,0,0,0,0|2,0,0]=4 2807 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [1,1,0,0,0,0|1,0,0]=3 2808 B10R0.82 CCC(=O)COC(C)C(=O)N 34a_100000725409_100000702099 [1,1,0,0,0,0|2,0,0]=4 2809 B10R0.82 CCC(=O)COC(F)C(=O)N 34a_100000725409_100009813875 [1,1,0,0,0,0|2,0,0]=4 2810 B10R0.82 CCC(=O)COC(F)C(=O)[O-] 34a_100000725409_100020610796 [1,1,0,0,0,0|1,0,1]=4 2811 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747405 [1,1,0,0,0,0|1,0,1]=4 2812 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747405 [1,1,0,0,0,0|2,0,0]=4 2813 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [1,1,0,0,0,0|2,0,0]=4 2814 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [1,1,0,0,0,0|2,0,0]=4 2815 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747405 [1,1,0,0,0,0|2,0,0]=4 2816 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000747405_100000702099 [1,1,0,0,0,0|2,0,0]=4 2817 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100000747405_100009813875 [1,1,0,0,0,0|2,0,0]=4 2818 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100009813875_100000747405 [1,1,0,0,0,0|2,0,0]=4 2819 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100000747405_100020610796 [1,1,0,0,0,0|1,0,1]=4 2820 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747405 [1,1,0,0,0,0|1,0,1]=4 2821 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [1,1,0,0,0,0|2,0,0]=4 2822 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [1,1,0,0,0,0|2,0,0]=4 2823 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [1,1,0,0,0,0|1,0,1]=4 2824 B10R0.98 C=C(C)C(=O)CCCC(=O)N 1458a_100000185857_100102525003 [1,1,0,0,0,0|1,0,1]=4 2825 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [1,1,0,0,0,0|1,0,1]=4 2826 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [1,1,0,0,0,0|1,0,0]=3 2827 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [1,1,0,0,0,0|1,0,0]=3 2828 B10R0.98 CC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011215641 [1,1,0,0,0,0|2,0,0]=4 2829 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [1,1,0,0,0,0|2,0,0]=4 2830 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [1,1,0,0,0,0|1,0,0]=3 2831 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [1,1,0,0,0,0|1,0,0]=3 2832 B10R0.98 CC(=O)COCC(=O)C(C)C 34a_100000211253_100000753385 [1,1,0,0,0,0|2,0,0]=4 2833 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000183196_100000210206 [1,1,0,0,0,0|2,0,0]=4 2834 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000210198_100000189650 [1,1,0,0,0,0|2,0,0]=4 2835 B10R0.98 CC(=O)NCCC(=O)C(C)F 1458a_100000062450_100000189650 [1,1,0,0,0,0|2,0,0]=4 2836 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [1,1,0,0,0,0|2,0,0]=4 2837 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [1,1,0,0,0,0|2,0,0]=4 2838 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [1,1,0,0,0,0|2,0,0]=4 2839 B10R0.98 CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100009814007 [1,1,0,0,0,0|2,0,0]=4 2840 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [1,1,0,0,0,0|2,0,0]=4 2841 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [1,1,0,0,0,0|2,0,0]=4 2842 B10R0.98 CC(=O)SCCC(=O)C(C)C 1458a_100000048949_100000210206 [1,1,0,0,0,0|2,0,0]=4 2843 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [1,1,0,0,0,0|1,0,0]=3 2844 B10R0.98 CC(C)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210206 [1,1,0,0,0,0|1,0,1]=4 2845 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000181464_100000210206 [1,1,0,0,0,0|2,0,0]=4 2846 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000210198_200000034859 [1,1,0,0,0,0|2,0,0]=4 2847 B10R0.98 CC(C)C(=O)CCOC(=O)N 1458a_100000210198_200011214921 [1,1,0,0,0,0|2,0,0]=4 2848 B10R0.98 CC(C)C(=O)CNCC(=O)N 2230a_100000711301_100000753385 [1,1,0,0,0,0|2,0,0]=4 2849 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [1,1,0,0,0,0|1,0,0]=3 2850 B10R0.98 CC(C)C(=O)COCC(=O)N 1458a_100011219004_100000210206 [1,1,0,0,0,0|2,0,0]=4 2851 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000747473_100000753385 [1,1,0,0,0,0|2,0,0]=4 2852 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000753385_100000747473 [1,1,0,0,0,0|2,0,0]=4 2853 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100000753385_100020667443 [1,1,0,0,0,0|1,0,1]=4 2854 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000753385 [1,1,0,0,0,0|1,0,1]=4 2855 B10R0.98 CC(C)C(=O)NCCC(=O)N 11a_100000740010_100000210198 [1,1,0,0,0,0|2,0,0]=4 2856 B10R0.98 CC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000210198 [1,1,0,0,0,0|2,0,0]=4 2857 B10R0.98 CC(C)C(=O)NCCC(=O)N 527a_100000740010_100000210198 [1,1,0,0,0,0|2,0,0]=4 2858 B10R0.98 CC(C)N(C)CCCC(=O)O 269956a_100000719178_100000210206 [1,1,0,0,0,0|2,0,0]=4 2859 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [1,1,0,0,0,0|1,0,0]=3 2860 B10R0.98 CC(F)C(=O)CCNC(=O)N 1458a_100000062450_200000034859 [1,1,0,0,0,0|2,0,0]=4 2861 B10R0.98 CC(F)C(=O)CCOC(=O)N 1458a_100000062450_200011214921 [1,1,0,0,0,0|2,0,0]=4 2862 B10R0.98 CC(F)C(=O)NCCC(=O)N 11a_100000740010_100000062450 [1,1,0,0,0,0|2,0,0]=4 2863 B10R0.98 CC(F)C(=O)NCCC(=O)N 240690a_100000740010_100000062450 [1,1,0,0,0,0|2,0,0]=4 2864 B10R0.98 CC(F)C(=O)NCCC(=O)N 527a_100000740010_100000062450 [1,1,0,0,0,0|2,0,0]=4 2865 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [1,1,0,0,0,0|1,0,1]=4 2866 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [1,1,0,0,0,0|1,0,1]=4 2867 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [1,1,0,0,0,0|1,0,1]=4 2868 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [1,1,0,0,0,0|1,0,1]=4 2869 B10R0.98 CN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000692301 [1,1,0,0,0,0|2,0,0]=4 2870 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [1,1,0,0,0,0|1,0,0]=3 2871 B10R0.98 C[C@@H](O)C(=O)CCNC(=O)N 1458a_100000717761_200000034859 [1,1,0,0,0,0|2,0,0]=4 2872 B10R0.98 C[C@@H](O)C(=O)CCOC(=O)N 1458a_100000717761_200011214921 [1,1,0,0,0,0|2,0,0]=4 2873 B10R0.98 C[C@@H](O)C(=O)NCCC(=O)N 240690a_100000740010_100000717761 [1,1,0,0,0,0|2,0,0]=4 2874 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [1,1,0,0,0,0|1,0,0]=3 2875 B10R0.98 C[C@H](O)C(=O)CCNC(=O)N 1458a_217856618621_200000034859 [1,1,0,0,0,0|2,0,0]=4 2876 B10R0.98 C[C@H](O)C(=O)CCOC(=O)N 1458a_217856618621_200011214921 [1,1,0,0,0,0|2,0,0]=4 2877 B10R0.98 C[C@H](O)C(=O)NCCC(=O)N 240690a_100000740010_217856618621 [1,1,0,0,0,0|2,0,0]=4 2878 B10R0.98 NC(=O)CCCC(=O)C(O)O 1458a_100000233687_100102525003 [1,1,0,0,0,0|2,0,0]=4 2879 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|1,0,1]=4 2880 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|1,0,1]=4 2881 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,1,0,0,0,0|2,0,0]=4 2882 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,1,0,0,0,0|2,0,0]=4 2883 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,1,0,0,0,0|2,0,0]=4 2884 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,1,0,0,0,0|2,0,0]=4 2885 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,1,0,0,0,0|2,0,0]=4 2886 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,1,0,0,0,0|2,0,0]=4 2887 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,1,0,0,0,0|2,0,0]=4 2888 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,1,0,0,0,0|2,0,0]=4 2889 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,1,0,0,0,0|2,0,0]=4 2890 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,1,0,0,0,0|2,0,0]=4 2891 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,1,0,0,0,0|2,0,0]=4 2892 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|2,0,0]=4 2893 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|2,0,0]=4 2894 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [1,1,0,0,0,0|1,0,1]=4 2895 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [1,1,0,0,0,0|0,0,1]=3 2896 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [1,1,0,0,0,0|1,0,1]=4 2897 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [1,1,0,0,0,0|1,0,1]=4 2898 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [1,1,0,0,0,0|1,0,1]=4 2899 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [1,1,0,0,0,0|0,0,2]=4 2900 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [1,1,0,0,0,0|1,0,1]=4 2901 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [1,1,0,0,0,0|1,0,1]=4 2902 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [1,1,0,0,0,0|0,0,2]=4 2903 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [1,1,0,0,0,0|0,0,2]=4 2904 B10R0.4 CC/C=C\CNOCC(=O)O 269956a_100000106656_100103147603 [1,1,0,0,0,0|1,0,1]=4 2905 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [1,1,0,0,0,0|1,0,1]=4 2906 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [1,1,0,0,0,0|1,0,1]=4 2907 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [1,1,0,0,0,0|1,0,1]=4 2908 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [1,1,0,0,0,0|1,0,1]=4 2909 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [1,1,0,0,0,0|1,0,1]=4 2910 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [1,1,0,0,0,0|1,0,1]=4 2911 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [1,1,0,0,0,0|1,0,1]=4 2912 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [1,1,0,0,0,0|1,0,1]=4 2913 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [1,1,0,0,0,0|1,0,1]=4 2914 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [1,1,0,0,0,0|1,0,1]=4 2915 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [1,1,0,0,0,0|1,0,1]=4 2916 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [1,1,0,0,0,0|0,0,2]=4 2917 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|1,0,1]=4 2918 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|1,0,1]=4 2919 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|1,0,1]=4 2920 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|1,0,1]=4 2921 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|1,0,1]=4 2922 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|1,0,1]=4 2923 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|1,0,1]=4 2924 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,1,0,0,0,0|1,0,1]=4 2925 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,1,0,0,0,0|1,0,1]=4 2926 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|0,0,1]=3 2927 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|1,0,1]=4 2928 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,1,0,0,0,0|1,0,1]=4 2929 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,1,0,0,0,0|1,0,1]=4 2930 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,1,0,0,0,0|0,0,2]=4 2931 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,1,0,0,0,0|1,0,1]=4 2932 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,1,0,0,0,0|1,0,1]=4 2933 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,1,0,0,0,0|0,0,2]=4 2934 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,1,0,0,0,0|0,0,2]=4 2935 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,1,0,0,0,0|1,0,1]=4 2936 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,1,0,0,0,0|1,0,1]=4 2937 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|1,0,1]=4 2938 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|1,0,1]=4 2939 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|1,0,1]=4 2940 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,1,0,0,0,0|1,0,1]=4 2941 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,1,0,0,0,0|1,0,1]=4 2942 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,1,0,0,0,0|1,0,1]=4 2943 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,1,0,0,0,0|1,0,1]=4 2944 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,1,0,0,0,0|1,0,1]=4 2945 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,1,0,0,0,0|1,0,1]=4 2946 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,1,0,0,0,0|1,0,1]=4 2947 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,1,0,0,0,0|1,0,1]=4 2948 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,1,0,0,0,0|1,0,1]=4 2949 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,1,0,0,0,0|1,0,1]=4 2950 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,1,0,0,0,0|1,0,1]=4 2951 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|1,0,1]=4 2952 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|1,0,1]=4 2953 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|1,0,1]=4 2954 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|1,0,1]=4 2955 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,1,0,0,0,0|1,0,1]=4 2956 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,1,0,0,0,0|1,0,1]=4 2957 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,1,0,0,0,0|1,0,1]=4 2958 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,1,0,0,0,0|1,0,1]=4 2959 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,1,0,0,0,0|1,0,1]=4 2960 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,1,0,0,0,0|1,0,1]=4 2961 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,1,0,0,0,0|1,0,1]=4 2962 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,1,0,0,0,0|1,0,1]=4 2963 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,1,0,0,0,0|2,0,0]=4 2964 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,1,0,0,0,0|1,0,0]=3 2965 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|1,0,1]=4 2966 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,1,0,0,0,0|1,0,1]=4 2967 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,1,0,0,0,0|1,0,1]=4 2968 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,1,0,0,0,0|2,0,0]=4 2969 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,1,0,0,0,0|2,0,0]=4 2970 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,1,0,0,0,0|2,0,0]=4 2971 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,1,0,0,0,0|2,0,0]=4 2972 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,1,0,0,0,0|2,0,0]=4 2973 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,1,0,0,0,0|2,0,0]=4 2974 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [1,1,0,0,0,0|2,0,0]=4 2975 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [1,1,0,0,0,0|2,0,0]=4 2976 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [1,1,0,0,0,0|2,0,0]=4 2977 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,1,0,0,0,0|1,0,0]=3 2978 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [1,1,0,0,0,0|1,0,1]=4 2979 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,1,0,0,0,0|2,0,0]=4 2980 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [1,1,0,0,0,0|2,0,0]=4 2981 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [1,1,0,0,0,0|2,0,0]=4 2982 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [1,1,0,0,0,0|2,0,0]=4 2983 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [1,1,0,0,0,0|1,0,1]=4 2984 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [1,1,0,0,0,0|2,0,0]=4 2985 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [1,1,0,0,0,0|2,0,0]=4 2986 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [1,1,0,0,0,0|1,0,1]=4 2987 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [1,1,0,0,0,0|1,0,1]=4 2988 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,1,0,0,0,0|1,0,1]=4 2989 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,1,0,0,0,0|1,0,1]=4 2990 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,1,0,0,0,0|2,0,0]=4 2991 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,1,0,0,0,0|2,0,0]=4 2992 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,1,0,0,0,0|2,0,0]=4 2993 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,1,0,0,0,0|2,0,0]=4 2994 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [1,1,0,0,0,0|2,0,0]=4 2995 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [1,1,0,0,0,0|2,0,0]=4 2996 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [1,1,0,0,0,0|2,0,0]=4 2997 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [1,1,0,0,0,0|2,0,0]=4 2998 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [1,1,0,0,0,0|2,0,0]=4 2999 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [1,1,0,0,0,0|1,0,1]=4 3000 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,1,0,0,0,0|1,0,1]=4 3001 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,1,0,0,0,0|1,0,1]=4 3002 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,1,0,0,0,0|1,0,1]=4 3003 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,1,0,0,0,0|1,0,1]=4 3004 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,1,0,0,0,0|0,0,2]=4 3005 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,1,0,0,0,0|1,0,1]=4 3006 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,1,0,0,0,0|2,0,0]=4 3007 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,1,0,0,0,0|2,0,0]=4 3008 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [1,1,0,0,0,0|2,0,0]=4 3009 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [1,1,0,0,0,0|2,0,0]=4 3010 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,1,0,0,0,0|1,0,1]=4 3011 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,1,0,0,0,0|1,0,1]=4 3012 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|1,0,1]=4 3013 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,1,0,0,0,0|1,0,1]=4 3014 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [1,1,0,0,0,0|2,0,0]=4 3015 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,1,0,0,0,0|2,0,0]=4 3016 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,1,0,0,0,0|2,0,0]=4 3017 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,1,0,0,0,0|2,0,0]=4 3018 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,1,0,0,0,0|2,0,0]=4 3019 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,1,0,0,0,0|2,0,0]=4 3020 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [1,1,0,0,0,0|2,0,0]=4 3021 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,1,0,0,0,0|2,0,0]=4 3022 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,1,0,0,0,0|2,0,0]=4 3023 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,1,0,0,0,0|2,0,0]=4 3024 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,1,0,0,0,0|2,0,0]=4 3025 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [1,1,0,0,0,0|2,0,0]=4 3026 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [1,1,0,0,0,0|2,0,0]=4 3027 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,1,0,0,0,0|2,0,0]=4 3028 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,1,0,0,0,0|2,0,0]=4 3029 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,1,0,0,0,0|2,0,0]=4 3030 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,1,0,0,0,0|2,0,0]=4 3031 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,1,0,0,0,0|2,0,0]=4 3032 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,1,0,0,0,0|2,0,0]=4 3033 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,1,0,0,0,0|2,0,0]=4 3034 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,1,0,0,0,0|2,0,0]=4 3035 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [1,1,0,0,0,0|2,0,0]=4 3036 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [1,1,0,0,0,0|2,0,0]=4 3037 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [1,1,0,0,0,0|2,0,0]=4 3038 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,1,0,0,0,0|2,0,0]=4 3039 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,1,0,0,0,0|2,0,0]=4 3040 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,1,0,0,0,0|2,0,0]=4 3041 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,1,0,0,0,0|2,0,0]=4 3042 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,1,0,0,0,0|2,0,0]=4 3043 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,1,0,0,0,0|2,0,0]=4 3044 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,1,0,0,0,0|2,0,0]=4 3045 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,1,0,0,0,0|2,0,0]=4 3046 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,1,0,0,0,0|2,0,0]=4 3047 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,1,0,0,0,0|2,0,0]=4 3048 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,1,0,0,0,0|2,0,0]=4 3049 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,1,0,0,0,0|1,0,1]=4 3050 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,1,0,0,0,0|1,0,1]=4 3051 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [1,1,0,0,0,0|2,0,0]=4 3052 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [1,1,0,0,0,0|2,0,0]=4 3053 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [1,1,0,0,0,0|2,0,0]=4 3054 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|1,0,1]=4 3055 B10R0.6 CC/C=C\CN(C)CC(=O)O 269956a_100000746989_100103147603 [1,1,0,0,0,0|1,0,1]=4 3056 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,1,0,0,0,0|1,0,1]=4 3057 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [1,1,0,0,0,0|1,0,0]=3 3058 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [1,1,0,0,0,0|2,0,0]=4 3059 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [1,1,0,0,0,0|2,0,0]=4 3060 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [1,1,0,0,0,0|2,0,0]=4 3061 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [1,1,0,0,0,0|2,0,0]=4 3062 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [1,1,0,0,0,0|2,0,0]=4 3063 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [1,1,0,0,0,0|2,0,0]=4 3064 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [1,1,0,0,0,0|2,0,0]=4 3065 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [1,1,0,0,0,0|2,0,0]=4 3066 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [1,1,0,0,0,0|2,0,0]=4 3067 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [1,1,0,0,0,0|2,0,0]=4 3068 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [1,1,0,0,0,0|2,0,0]=4 3069 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [1,1,0,0,0,0|2,0,0]=4 3070 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [1,1,0,0,0,0|2,0,0]=4 3071 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [1,1,0,0,0,0|1,0,1]=4 3072 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,1,0,0,0,0|1,0,1]=4 3073 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [1,1,0,0,0,0|1,0,1]=4 3074 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [1,1,0,0,0,0|1,0,1]=4 3075 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [1,1,0,0,0,0|1,0,1]=4 3076 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,1,0,0,0,0|1,0,1]=4 3077 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,1,0,0,0,0|1,0,1]=4 3078 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,1,0,0,0,0|1,0,1]=4 3079 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|0,0,1]=3 3080 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,1,0,0,0,0|1,0,1]=4 3081 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,1,0,0,0,0|1,0,1]=4 3082 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,1,0,0,0,0|1,0,1]=4 3083 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,1,0,0,0,0|1,0,1]=4 3084 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,1,0,0,0,0|1,0,1]=4 3085 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,1,0,0,0,0|1,0,1]=4 3086 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,1,0,0,0,0|1,0,1]=4 3087 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,1,0,0,0,0|1,0,1]=4 3088 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,1,0,0,0,0|1,0,1]=4 3089 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,1,0,0,0,0|1,0,1]=4 3090 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,1,0,0,0,0|1,0,1]=4 3091 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,1,0,0,0,0|1,0,1]=4 3092 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,1,0,0,0,0|1,0,1]=4 3093 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [1,1,0,0,0,0|1,0,1]=4 3094 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,1,0,0,0,0|1,0,1]=4 3095 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,1,0,0,0,0|1,0,1]=4 3096 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,1,0,0,0,0|1,0,1]=4 3097 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,1,0,0,0,0|1,0,1]=4 3098 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [1,1,0,0,0,0|2,0,0]=4 3099 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [1,1,0,0,0,0|2,0,0]=4 3100 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [1,1,0,0,0,0|2,0,0]=4 3101 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [1,1,0,0,0,0|2,0,0]=4 3102 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,1,0,0,0,0|1,0,0]=3 3103 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [1,1,0,0,0,0|2,0,0]=4 3104 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [1,1,0,0,0,0|2,0,0]=4 3105 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [1,1,0,0,0,0|2,0,0]=4 3106 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,1,0,0,0,0|2,0,0]=4 3107 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [1,1,0,0,0,0|2,0,0]=4 3108 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [1,1,0,0,0,0|2,0,0]=4 3109 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,1,0,0,0,0|1,0,0]=3 3110 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,1,0,0,0,0|1,0,0]=3 3111 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [1,1,0,0,0,0|2,0,0]=4 3112 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [1,1,0,0,0,0|2,0,0]=4 3113 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,1,0,0,0,0|1,0,1]=4 3114 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,1,0,0,0,0|1,0,1]=4 3115 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,1,0,0,0,0|1,0,1]=4 3116 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,1,0,0,0,0|1,0,1]=4 3117 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,1,0,0,0,0|1,0,1]=4 3118 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,1,0,0,0,0|1,0,1]=4 3119 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,1,0,0,0,0|1,0,1]=4 3120 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,1,0,0,0,0|1,0,1]=4 3121 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,1,0,0,0,0|1,0,1]=4 3122 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,1,0,0,0,0|1,0,1]=4 3123 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,1,0,0,0,0|1,0,1]=4 3124 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,1,0,0,0,0|1,0,1]=4 3125 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,1,0,0,0,0|1,0,1]=4 3126 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,1,0,0,0,0|1,0,1]=4 3127 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,1,0,0,0,0|1,0,1]=4 3128 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [1,1,0,0,0,0|2,0,0]=4 3129 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [1,1,0,0,0,0|2,0,0]=4 3130 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [1,1,0,0,0,0|2,0,0]=4 3131 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [1,1,0,0,0,0|2,0,0]=4 3132 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [1,1,0,0,0,0|2,0,0]=4 3133 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [1,1,0,0,0,0|2,0,0]=4 3134 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [1,1,0,0,0,0|2,0,0]=4 3135 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [1,1,0,0,0,0|2,0,0]=4 3136 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [1,1,0,0,0,0|2,0,0]=4 3137 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [1,1,0,0,0,0|2,0,0]=4 3138 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [1,1,0,0,0,0|2,0,0]=4 3139 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,1,0,0,0,0|1,0,1]=4 3140 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,1,0,0,0,0|1,0,1]=4 3141 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,1,0,0,0,0|1,0,1]=4 3142 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [1,1,0,0,0,0|2,0,0]=4 3143 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [1,1,0,0,0,0|2,0,0]=4 3144 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [1,1,0,0,0,0|1,0,1]=4 3145 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|1,0,1]=4 3146 B10R0.75 CC/C=C\CN[C@@H](C)C(=O)O 269956a_100000743915_100103147603 [1,1,0,0,0,0|1,0,1]=4 3147 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|1,0,1]=4 3148 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|1,0,1]=4 3149 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|1,0,1]=4 3150 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [1,1,0,0,0,0|1,0,1]=4 3151 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [1,1,0,0,0,0|1,0,1]=4 3152 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [1,1,0,0,0,0|1,0,1]=4 3153 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|1,0,1]=4 3154 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|1,0,1]=4 3155 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [1,1,0,0,0,0|1,0,1]=4 3156 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|1,0,1]=4 3157 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|1,0,1]=4 3158 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,1,0,0,0,0|2,0,0]=4 3159 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [1,1,0,0,0,0|2,0,0]=4 3160 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [1,1,0,0,0,0|2,0,0]=4 3161 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,1,0,0,0,0|2,0,0]=4 3162 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,1,0,0,0,0|2,0,0]=4 3163 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,1,0,0,0,0|2,0,0]=4 3164 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [1,1,0,0,0,0|2,0,0]=4 3165 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,1,0,0,0,0|2,0,0]=4 3166 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,1,0,0,0,0|2,0,0]=4 3167 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [1,1,0,0,0,0|2,0,0]=4 3168 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [1,1,0,0,0,0|2,0,0]=4 3169 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,1,0,0,0,0|2,0,0]=4 3170 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,1,0,0,0,0|2,0,0]=4 3171 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,1,0,0,0,0|2,0,0]=4 3172 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,1,0,0,0,0|2,0,0]=4 3173 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [1,1,0,0,0,0|2,0,0]=4 3174 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [1,1,0,0,0,0|2,0,0]=4 3175 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [1,1,0,0,0,0|2,0,0]=4 3176 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [1,1,0,0,0,0|2,0,0]=4 3177 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [1,1,0,0,0,0|2,0,0]=4 3178 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|1,0,1]=4 3179 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,1,0,0,0,0|1,0,1]=4 3180 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [1,1,0,0,0,0|2,0,0]=4 3181 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [1,1,0,0,0,0|2,0,0]=4 3182 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [1,1,0,0,0,0|2,0,0]=4 3183 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [1,1,0,0,0,0|2,0,0]=4 3184 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [1,1,0,0,0,0|2,0,0]=4 3185 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [1,1,0,0,0,0|2,0,0]=4 3186 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,1,0,0,0,0|1,0,1]=4 3187 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [1,1,0,0,0,0|2,0,0]=4 3188 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [1,1,0,0,0,0|2,0,0]=4 3189 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [1,1,0,0,0,0|2,0,0]=4 3190 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [1,1,0,0,0,0|2,0,0]=4 3191 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [1,1,0,0,0,0|2,0,0]=4 3192 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [1,1,0,0,0,0|2,0,0]=4 3193 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [1,1,0,0,0,0|2,0,0]=4 3194 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [1,1,0,0,0,0|2,0,0]=4 3195 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [1,1,0,0,0,0|2,0,0]=4 3196 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [1,1,0,0,0,0|1,0,1]=4 3197 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [1,1,0,0,0,0|1,0,1]=4 3198 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 3199 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 3200 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 3201 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 3202 B10R0.1 C#CCCSCC(=O)CCC 62a_100000688953_100000747444 [1,1,0,0,0,0|1,0,1]=4 3203 B10R0.1 C#CCCSCC(=O)CCC 62a_100000747444_100000688953 [1,1,0,0,0,0|1,0,1]=4 3204 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [1,1,0,0,0,0|1,0,1]=4 3205 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [1,1,0,0,0,0|1,0,1]=4 3206 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [1,1,0,0,0,0|1,0,1]=4 3207 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [1,1,0,0,0,0|1,0,1]=4 3208 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,1,0,0,0,0|1,0,0]=3 3209 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,1,0,0,0,0|1,0,0]=3 3210 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [1,1,0,0,0,0|2,0,0]=4 3211 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [1,1,0,0,0,0|2,0,0]=4 3212 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [1,1,0,0,0,0|2,0,0]=4 3213 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [1,1,0,0,0,0|2,0,0]=4 3214 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [1,1,0,0,0,0|2,0,0]=4 3215 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [1,1,0,0,0,0|2,0,0]=4 3216 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [1,1,0,0,0,0|2,0,0]=4 3217 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [1,1,0,0,0,0|2,0,0]=4 3218 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [1,1,0,0,0,0|1,0,0]=3 3219 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [1,1,0,0,0,0|1,0,0]=3 3220 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [1,1,0,0,0,0|1,0,0]=3 3221 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [1,1,0,0,0,0|1,0,0]=3 3222 B10R0.1 C=CCCCNC(=O)CCO 240690a_100000700776_100011216618 [1,1,0,0,0,0|2,0,0]=4 3223 B10R0.1 C=CCCCNC(=O)COC 11a_100000700776_100000210968 [1,1,0,0,0,0|2,0,0]=4 3224 B10R0.1 C=CCCCNC(=O)COC 1626a_100000700776_100000210968 [1,1,0,0,0,0|2,0,0]=4 3225 B10R0.1 C=CCCCNC(=O)COC 240690a_100000700776_100000210968 [1,1,0,0,0,0|2,0,0]=4 3226 B10R0.1 C=CCCCNC(=O)COC 527a_100000700776_100000210968 [1,1,0,0,0,0|2,0,0]=4 3227 B10R0.1 C=CCCCNC(=O)CSC 11a_100000700776_100000184570 [1,1,0,0,0,0|2,0,0]=4 3228 B10R0.1 C=CCCCNC(=O)CSC 1626a_100000700776_100000184570 [1,1,0,0,0,0|2,0,0]=4 3229 B10R0.1 C=CCCCNC(=O)CSC 240690a_100000700776_100000184570 [1,1,0,0,0,0|2,0,0]=4 3230 B10R0.1 C=CCCCNC(=O)CSC 527a_100000700776_100000184570 [1,1,0,0,0,0|2,0,0]=4 3231 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [1,1,0,0,0,0|2,0,0]=4 3232 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [1,1,0,0,0,0|2,0,0]=4 3233 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [1,1,0,0,0,0|2,0,0]=4 3234 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [1,1,0,0,0,0|2,0,0]=4 3235 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [1,1,0,0,0,0|2,0,0]=4 3236 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [1,1,0,0,0,0|2,0,0]=4 3237 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [1,1,0,0,0,0|1,0,0]=3 3238 B10R0.1 C=CCCNCC(=O)NCC 2230a_100015191253_100000183381 [1,1,0,0,0,0|2,0,0]=4 3239 B10R0.1 C=CCCNCC(=O)NCC 2230a_100016988866_100000754431 [1,1,0,0,0,0|2,0,0]=4 3240 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [1,1,0,0,0,0|2,0,0]=4 3241 B10R0.1 C=CCCOCC(=O)NCC 34a_100011205117_100000183381 [1,1,0,0,0,0|2,0,0]=4 3242 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [1,1,0,0,0,0|2,0,0]=4 3243 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [1,1,0,0,0,0|1,0,0]=3 3244 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [1,1,0,0,0,0|1,0,0]=3 3245 B10R0.1 C=CCCSCC(=O)NCC 62a_100000183381_100000754431 [1,1,0,0,0,0|2,0,0]=4 3246 B10R0.1 C=CCCSCC(=O)NCC 62a_100000754431_100000183381 [1,1,0,0,0,0|2,0,0]=4 3247 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [1,1,0,0,0,0|2,0,0]=4 3248 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [1,1,0,0,0,0|2,0,0]=4 3249 B10R0.1 C=CCNCCC(=O)NCC 2230a_100020586998_100000737597 [1,1,0,0,0,0|2,0,0]=4 3250 B10R0.1 C=CCNCCC(=O)NCC 34a_100025743525_100015514636 [1,1,0,0,0,0|2,0,0]=4 3251 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [1,1,0,0,0,0|2,0,0]=4 3252 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [1,1,0,0,0,0|2,0,0]=4 3253 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [1,1,0,0,0,0|1,0,0]=3 3254 B10R0.1 C=CCOCCC(=O)CCF 1458a_200011217002_100011217306 [1,1,0,0,0,0|2,0,0]=4 3255 B10R0.1 C=CCOCCC(=O)CCO 1458a_200011217002_100000211926 [1,1,0,0,0,0|2,0,0]=4 3256 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [1,1,0,0,0,0|2,0,0]=4 3257 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [1,1,0,0,0,0|2,0,0]=4 3258 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [1,1,0,0,0,0|2,0,0]=4 3259 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [1,1,0,0,0,0|2,0,0]=4 3260 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [1,1,0,0,0,0|2,0,0]=4 3261 B10R0.1 C=CCSCCC(=O)NCC 62a_100000210623_100000737597 [1,1,0,0,0,0|2,0,0]=4 3262 B10R0.1 C=CCSCCC(=O)NCC 62a_100000737597_100000210623 [1,1,0,0,0,0|2,0,0]=4 3263 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [1,1,0,0,0,0|2,0,0]=4 3264 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [1,1,0,0,0,0|2,0,0]=4 3265 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [1,1,0,0,0,0|2,0,0]=4 3266 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,1,0,0,0,0|1,0,1]=4 3267 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [1,1,0,0,0,0|1,0,1]=4 3268 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [1,1,0,0,0,0|1,0,1]=4 3269 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [1,1,0,0,0,0|1,0,1]=4 3270 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,1,0,0,0,0|1,0,1]=4 3271 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|0,0,1]=3 3272 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|0,0,1]=3 3273 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,1,0,0,0,0|0,0,1]=3 3274 B10R0.1 CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210303 [1,1,0,0,0,0|2,0,0]=4 3275 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|1,0,1]=4 3276 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [1,1,0,0,0,0|1,0,1]=4 3277 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,1,0,0,0,0|0,0,1]=3 3278 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,1,0,0,0,0|0,0,1]=3 3279 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [1,1,0,0,0,0|1,0,1]=4 3280 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [1,1,0,0,0,0|1,0,1]=4 3281 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [1,1,0,0,0,0|2,0,0]=4 3282 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [1,1,0,0,0,0|1,0,1]=4 3283 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [1,1,0,0,0,0|2,0,0]=4 3284 B10R0.1 CCCC(=O)CSCCC#N 62a_100000747444_100011215226 [1,1,0,0,0,0|1,0,1]=4 3285 B10R0.1 CCCC(=O)CSCCC#N 62a_100011215226_100000747444 [1,1,0,0,0,0|1,0,1]=4 3286 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [1,1,0,0,0,0|1,0,1]=4 3287 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [1,1,0,0,0,0|1,0,1]=4 3288 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [1,1,0,0,0,0|0,0,1]=3 3289 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [1,1,0,0,0,0|0,0,1]=3 3290 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [1,1,0,0,0,0|1,0,1]=4 3291 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [1,1,0,0,0,0|1,0,1]=4 3292 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [1,1,0,0,0,0|2,0,0]=4 3293 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [1,1,0,0,0,0|2,0,0]=4 3294 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,1,0,0,0,0|0,0,1]=3 3295 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,1,0,0,0,0|0,0,1]=3 3296 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [1,1,0,0,0,0|1,0,1]=4 3297 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [1,1,0,0,0,0|1,0,1]=4 3298 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [1,1,0,0,0,0|1,0,1]=4 3299 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [1,1,0,0,0,0|2,0,0]=4 3300 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [1,1,0,0,0,0|2,0,0]=4 3301 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [1,1,0,0,0,0|2,0,0]=4 3302 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [1,1,0,0,0,0|2,0,0]=4 3303 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [1,1,0,0,0,0|1,0,1]=4 3304 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [1,1,0,0,0,0|1,0,1]=4 3305 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [1,1,0,0,0,0|1,0,0]=3 3306 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [1,1,0,0,0,0|1,0,1]=4 3307 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [1,1,0,0,0,0|1,0,1]=4 3308 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [1,1,0,0,0,0|1,0,1]=4 3309 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [1,1,0,0,0,0|1,0,1]=4 3310 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [1,1,0,0,0,0|1,0,1]=4 3311 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [1,1,0,0,0,0|1,0,1]=4 3312 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [1,1,0,0,0,0|1,0,1]=4 3313 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|1,0,1]=4 3314 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|1,0,1]=4 3315 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 3316 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 3317 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 3318 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 3319 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,1,0,0,0,0|1,0,1]=4 3320 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,1,0,0,0,0|1,0,1]=4 3321 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,1,0,0,0,0|1,0,1]=4 3322 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,1,0,0,0,0|1,0,1]=4 3323 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,1,0,0,0,0|1,0,1]=4 3324 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,1,0,0,0,0|1,0,1]=4 3325 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,1,0,0,0,0|1,0,1]=4 3326 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,1,0,0,0,0|1,0,1]=4 3327 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [1,1,0,0,0,0|2,0,0]=4 3328 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [1,1,0,0,0,0|2,0,0]=4 3329 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|1,0,1]=4 3330 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [1,1,0,0,0,0|1,0,1]=4 3331 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,1,0,0,0,0|1,0,1]=4 3332 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [1,1,0,0,0,0|1,0,0]=3 3333 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [1,1,0,0,0,0|1,0,1]=4 3334 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [1,1,0,0,0,0|1,0,1]=4 3335 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [1,1,0,0,0,0|1,0,1]=4 3336 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [1,1,0,0,0,0|1,0,0]=3 3337 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [1,1,0,0,0,0|1,0,0]=3 3338 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [1,1,0,0,0,0|1,0,1]=4 3339 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [1,1,0,0,0,0|1,0,1]=4 3340 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [1,1,0,0,0,0|1,0,1]=4 3341 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [1,1,0,0,0,0|1,0,1]=4 3342 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [1,1,0,0,0,0|1,0,1]=4 3343 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [1,1,0,0,0,0|1,0,1]=4 3344 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [1,1,0,0,0,0|1,0,1]=4 3345 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [1,1,0,0,0,0|1,0,1]=4 3346 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [1,1,0,0,0,0|1,0,1]=4 3347 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [1,1,0,0,0,0|1,0,1]=4 3348 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [1,1,0,0,0,0|1,0,1]=4 3349 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,1,0,0,0,0|1,0,1]=4 3350 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,1,0,0,0,0|1,0,1]=4 3351 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,1,0,0,0,0|1,0,1]=4 3352 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [1,1,0,0,0,0|1,0,0]=3 3353 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [1,1,0,0,0,0|1,0,0]=3 3354 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,1,0,0,0,0|1,0,1]=4 3355 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,1,0,0,0,0|1,0,1]=4 3356 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [1,1,0,0,0,0|1,0,1]=4 3357 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [1,1,0,0,0,0|1,0,1]=4 3358 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [1,1,0,0,0,0|2,0,0]=4 3359 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [1,1,0,0,0,0|1,0,1]=4 3360 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [1,1,0,0,0,0|1,0,1]=4 3361 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [1,1,0,0,0,0|1,0,1]=4 3362 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [1,1,0,0,0,0|1,0,1]=4 3363 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,1,0,0,0,0|1,0,1]=4 3364 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [1,1,0,0,0,0|1,0,1]=4 3365 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [1,1,0,0,0,0|1,0,1]=4 3366 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [1,1,0,0,0,0|1,0,1]=4 3367 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [1,1,0,0,0,0|1,0,1]=4 3368 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [1,1,0,0,0,0|1,0,1]=4 3369 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [1,1,0,0,0,0|1,0,1]=4 3370 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [1,1,0,0,0,0|1,0,1]=4 3371 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [1,1,0,0,0,0|1,0,1]=4 3372 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,1,0,0,0,0|1,0,1]=4 3373 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,1,0,0,0,0|1,0,1]=4 3374 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [1,1,0,0,0,0|1,0,1]=4 3375 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [1,1,0,0,0,0|1,0,1]=4 3376 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [1,1,0,0,0,0|1,0,1]=4 3377 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [1,1,0,0,0,0|1,0,1]=4 3378 B10R0.2 C=CCN(C)CC(=O)CCC 2230a_100000225617_100000747444 [1,1,0,0,0,0|2,0,0]=4 3379 B10R0.2 C=CCN(C)CC(=O)CCC 269982a_100000225617_100000747444 [1,1,0,0,0,0|2,0,0]=4 3380 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [1,1,0,0,0,0|0,0,2]=4 3381 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [1,1,0,0,0,0|1,0,1]=4 3382 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [1,1,0,0,0,0|1,0,1]=4 3383 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [1,1,0,0,0,0|1,0,1]=4 3384 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [1,1,0,0,0,0|1,0,1]=4 3385 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [1,1,0,0,0,0|1,0,1]=4 3386 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [1,1,0,0,0,0|1,0,1]=4 3387 B10R0.2 CCNC(=O)CN(C)CC=O 2230a_100000741943_200015260668 [1,1,0,0,0,0|2,0,0]=4 3388 B10R0.2 CCNC(=O)CN(C)CC=O 269982a_100000741943_200015260668 [1,1,0,0,0,0|2,0,0]=4 3389 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [1,1,0,0,0,0|2,0,0]=4 3390 B10R0.19 C=CCCN(C)C(=O)CCC 11a_100020639649_100000211992 [1,1,0,0,0,0|2,0,0]=4 3391 B10R0.19 C=CCCN(C)C(=O)CCC 1626a_100020639649_100000211992 [1,1,0,0,0,0|2,0,0]=4 3392 B10R0.19 C=CCCN(C)C(=O)CCC 240690a_100020639649_100000211992 [1,1,0,0,0,0|2,0,0]=4 3393 B10R0.19 C=CCCN(C)C(=O)CCC 527a_100020639649_100000211992 [1,1,0,0,0,0|2,0,0]=4 3394 B10R0.19 C=CCSC(C)C(=O)CCC 1458a_100000230602_100000210303 [1,1,0,0,0,0|2,0,0]=4 3395 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [1,1,0,0,0,0|2,0,0]=4 3396 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [1,1,0,0,0,0|1,0,1]=4 3397 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [1,1,0,0,0,0|1,0,1]=4 3398 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,1,0,0,0,0|1,0,1]=4 3399 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,1,0,0,0,0|1,0,1]=4 3400 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,1,0,0,0,0|1,0,1]=4 3401 B10R0.19 CCNC(=O)C(C)NCC=O 2230a_100000736553_200015260668 [1,1,0,0,0,0|2,0,0]=4 3402 B10R0.19 CCNC(=O)C(C)NCC=O 34a_100000736553_200009817547 [1,1,0,0,0,0|2,0,0]=4 3403 B10R0.19 CCNC(=O)C(C)SCC=O 62a_100000230173_200015260668 [1,1,0,0,0,0|2,0,0]=4 3404 B10R0.19 CCNC(=O)C(C)SCC=O 62a_200015260668_100000230173 [1,1,0,0,0,0|2,0,0]=4 3405 B10R0.19 CCOC(=O)C(C)SCC=O 62a_100011216346_200015260668 [1,1,0,0,0,0|2,0,0]=4 3406 B10R0.19 CCOC(=O)C(C)SCC=O 62a_200015260668_100011216346 [1,1,0,0,0,0|2,0,0]=4 3407 B10R0.19 CCOC(=O)C(F)SCC=O 62a_100000760018_200015260668 [1,1,0,0,0,0|2,0,0]=4 3408 B10R0.19 CCOC(=O)C(F)SCC=O 62a_200015260668_100000760018 [1,1,0,0,0,0|2,0,0]=4 3409 B10R0.19 CCOC(=O)[C@H](C)OCC=O 7a_100000751109_200015260668 [1,1,0,0,0,0|2,0,0]=4 3410 B10R0.19 CCSC(=O)[C@H](C)NCC=O 2230a_100103168634_200015260668 [1,1,0,0,0,0|2,0,0]=4 3411 B10R0.24 CCCN(CC)CCCC=O 2230a_100000226822_200011292268 [1,1,0,0,0,0|2,0,0]=4 3412 B10R0.24 CCCN(CC)CCCC=O 269982a_100000226822_200011292268 [1,1,0,0,0,0|2,0,0]=4 3413 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100000690238_100000758301 [1,1,0,0,0,0|1,0,1]=4 3414 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100011192722_100000731252 [1,1,0,0,0,0|1,0,1]=4 3415 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [1,1,0,0,0,0|1,0,1]=4 3416 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [1,1,0,0,0,0|1,0,0]=3 3417 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [1,1,0,0,0,0|1,0,0]=3 3418 B10R0.83 C=CCCCC(=O)C(C)OC 1458a_100000743197_100000757094 [1,1,0,0,0,0|2,0,0]=4 3419 B10R0.83 C=CCCCC(=O)C(C)SC 1458a_100000149566_100000757094 [1,1,0,0,0,0|2,0,0]=4 3420 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [1,1,0,0,0,0|1,0,0]=3 3421 B10R0.83 C=CCCCC(=O)C(O)CO 1458a_100011215603_100000757094 [1,1,0,0,0,0|2,0,0]=4 3422 B10R0.83 C=CCCCC(=O)N(C)CC 11a_100000225621_100000766728 [1,1,0,0,0,0|2,0,0]=4 3423 B10R0.83 C=CCCCC(=O)N(C)CC 1626a_100000225621_100000766728 [1,1,0,0,0,0|2,0,0]=4 3424 B10R0.83 C=CCCCC(=O)N(C)CC 240690a_100000225621_100000766728 [1,1,0,0,0,0|2,0,0]=4 3425 B10R0.83 C=CCCCC(=O)N(C)CC 527a_100000225621_100000766728 [1,1,0,0,0,0|2,0,0]=4 3426 B10R0.83 C=CCCNC(=O)C(C)CC 11a_100015191253_100011192722 [1,1,0,0,0,0|2,0,0]=4 3427 B10R0.83 C=CCCNC(=O)C(C)CC 1626a_100015191253_100011192722 [1,1,0,0,0,0|2,0,0]=4 3428 B10R0.83 C=CCCNC(=O)C(C)CC 240690a_100015191253_100011192722 [1,1,0,0,0,0|2,0,0]=4 3429 B10R0.83 C=CCCNC(=O)C(C)CC 527a_100015191253_100011192722 [1,1,0,0,0,0|2,0,0]=4 3430 B10R0.83 C=CCCNC(=O)C(O)CC 240690a_100015191253_100011196387 [1,1,0,0,0,0|2,0,0]=4 3431 B10R0.83 C=CCSCC(=O)C(C)CC 1458a_100000230395_100000758301 [1,1,0,0,0,0|2,0,0]=4 3432 B10R0.83 C=COCCC(=O)C(C)CC 1458a_100011192722_100000039644 [1,1,0,0,0,0|2,0,0]=4 3433 B10R0.83 C=COCCC(=O)C(O)CC 1458a_100011196387_100000039644 [1,1,0,0,0,0|2,0,0]=4 3434 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100000075515_100000758301 [1,1,0,0,0,0|1,0,1]=4 3435 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100011192722_100000211468 [1,1,0,0,0,0|1,0,1]=4 3436 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [1,1,0,0,0,0|1,0,1]=4 3437 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [1,1,0,0,0,0|0,0,1]=3 3438 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [1,1,0,0,0,0|0,0,1]=3 3439 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [1,1,0,0,0,0|2,0,0]=4 3440 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [1,1,0,0,0,0|2,0,0]=4 3441 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [1,1,0,0,0,0|2,0,0]=4 3442 B10R0.83 CCC(C)C(=O)COCCO 1458a_100000708028_100000758301 [1,1,0,0,0,0|1,0,1]=4 3443 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [1,1,0,0,0,0|1,0,1]=4 3444 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [1,1,0,0,0,0|1,0,1]=4 3445 B10R0.83 CCC(C)N(C)CCCC=O 2230a_100000741768_200011292268 [1,1,0,0,0,0|2,0,0]=4 3446 B10R0.83 CCC(C)N(C)CCCC=O 269982a_100000741768_200011292268 [1,1,0,0,0,0|2,0,0]=4 3447 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [1,1,0,0,0,0|1,0,1]=4 3448 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [1,1,0,0,0,0|1,0,1]=4 3449 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [1,1,0,0,0,0|0,0,1]=3 3450 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [1,1,0,0,0,0|2,0,0]=4 3451 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [1,1,0,0,0,0|1,0,1]=4 3452 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,1,0,0,0,0|1,0,1]=4 3453 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,1,0,0,0,0|1,0,1]=4 3454 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,1,0,0,0,0|1,0,1]=4 3455 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [1,1,0,0,0,0|1,0,1]=4 3456 B10R0.83 CCN(C)C(=O)CSCC=O 62a_100000738999_200015260668 [1,1,0,0,0,0|2,0,0]=4 3457 B10R0.83 CCN(C)C(=O)CSCC=O 62a_200015260668_100000738999 [1,1,0,0,0,0|2,0,0]=4 3458 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [1,1,0,0,0,0|1,0,1]=4 3459 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [1,1,0,0,0,0|1,0,1]=4 3460 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [1,1,0,0,0,0|1,0,1]=4 3461 B10R0.91 C#CCCC(=O)CCCC=C 1458a_100000692101_100000757094 [1,1,0,0,0,0|1,0,1]=4 3462 B10R0.91 C#CCCC(=O)CCCC=C 1458a_100000766728_100000753159 [1,1,0,0,0,0|1,0,1]=4 3463 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [1,1,0,0,0,0|0,0,2]=4 3464 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [1,1,0,0,0,0|0,0,2]=4 3465 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [1,1,0,0,0,0|1,0,1]=4 3466 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [1,1,0,0,0,0|1,0,1]=4 3467 B10R0.91 C#CCCCC(=O)CCCF 1458a_100000690238_100011934791 [1,1,0,0,0,0|1,0,1]=4 3468 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [1,1,0,0,0,0|1,0,1]=4 3469 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [1,1,0,0,0,0|1,0,1]=4 3470 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [1,1,0,0,0,0|1,0,1]=4 3471 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000174002_100000731252 [1,1,0,0,0,0|1,0,1]=4 3472 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000690238_100000751147 [1,1,0,0,0,0|1,0,1]=4 3473 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [1,1,0,0,0,0|1,0,1]=4 3474 B10R0.91 C#CCCCC(=O)CSCC 1458a_100000230394_100000731252 [1,1,0,0,0,0|1,0,1]=4 3475 B10R0.91 C#CCCCC(=O)NCCC 11a_100020643023_100000690238 [1,1,0,0,0,0|1,0,1]=4 3476 B10R0.91 C#CCCCC(=O)NCCC 1626a_100020643023_100000690238 [1,1,0,0,0,0|1,0,1]=4 3477 B10R0.91 C#CCCCC(=O)NCCC 240690a_100020643023_100000690238 [1,1,0,0,0,0|1,0,1]=4 3478 B10R0.91 C#CCCCC(=O)NCCC 527a_100020643023_100000690238 [1,1,0,0,0,0|1,0,1]=4 3479 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [1,1,0,0,0,0|0,0,2]=4 3480 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [1,1,0,0,0,0|0,0,2]=4 3481 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [1,1,0,0,0,0|0,0,2]=4 3482 B10R0.91 C=CCCCC(=O)C#CCC 1458a_100011827653_100000757094 [1,1,0,0,0,0|1,0,1]=4 3483 B10R0.91 C=CCCCC(=O)C/C=C/C 1458a_100000766728_100102629194 [1,1,0,0,0,0|1,0,1]=4 3484 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [1,1,0,0,0,0|1,0,1]=4 3485 B10R0.91 C=CCCCC(=O)CC#CC 1458a_100000766728_100000748600 [1,1,0,0,0,0|1,0,1]=4 3486 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100000766728_100000070051 [1,1,0,0,0,0|1,0,1]=4 3487 B10R0.91 C=CCCCC(=O)CC=CC 1458a_100121576822_100000757094 [1,1,0,0,0,0|1,0,1]=4 3488 B10R0.91 C=CCCCC(=O)CCC#N 1458a_100000766728_100011215226 [1,1,0,0,0,0|1,0,1]=4 3489 B10R0.91 C=CCCCC(=O)CCC#N 1458a_100011934036_100000757094 [1,1,0,0,0,0|1,0,1]=4 3490 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000749702_100000757094 [1,1,0,0,0,0|1,0,1]=4 3491 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000766728_100000754431 [1,1,0,0,0,0|1,0,1]=4 3492 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [1,1,0,0,0,0|1,0,0]=3 3493 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [1,1,0,0,0,0|1,0,0]=3 3494 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [1,1,0,0,0,0|1,0,0]=3 3495 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [1,1,0,0,0,0|1,0,0]=3 3496 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [1,1,0,0,0,0|1,0,0]=3 3497 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [1,1,0,0,0,0|1,0,0]=3 3498 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [1,1,0,0,0,0|1,0,0]=3 3499 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [1,1,0,0,0,0|1,0,0]=3 3500 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [1,1,0,0,0,0|1,0,0]=3 3501 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [1,1,0,0,0,0|1,0,0]=3 3502 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [1,1,0,0,0,0|1,0,0]=3 3503 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [1,1,0,0,0,0|1,0,0]=3 3504 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [1,1,0,0,0,0|1,0,0]=3 3505 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [1,1,0,0,0,0|1,0,0]=3 3506 B10R0.91 C=CCCCC(=O)NCCF 11a_100000724931_100000766728 [1,1,0,0,0,0|2,0,0]=4 3507 B10R0.91 C=CCCCC(=O)NCCF 1626a_100000724931_100000766728 [1,1,0,0,0,0|2,0,0]=4 3508 B10R0.91 C=CCCCC(=O)NCCF 240690a_100000724931_100000766728 [1,1,0,0,0,0|2,0,0]=4 3509 B10R0.91 C=CCCCC(=O)NCCF 527a_100000724931_100000766728 [1,1,0,0,0,0|2,0,0]=4 3510 B10R0.91 C=CCCCC(=O)NCCO 240690a_100000210304_100000766728 [1,1,0,0,0,0|2,0,0]=4 3511 B10R0.91 C=CCCCC(=O)NCCO 527a_100000210304_100000766728 [1,1,0,0,0,0|2,0,0]=4 3512 B10R0.91 C=CCCCC(=O)NNCC 22a_100000756455_100000766728 [1,1,0,0,0,0|2,0,0]=4 3513 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [1,1,0,0,0,0|2,0,0]=4 3514 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [1,1,0,0,0,0|2,0,0]=4 3515 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [1,1,0,0,0,0|2,0,0]=4 3516 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [1,1,0,0,0,0|2,0,0]=4 3517 B10R0.91 C=CCCNC(=O)CCOC 11a_100015191253_100000749529 [1,1,0,0,0,0|2,0,0]=4 3518 B10R0.91 C=CCCNC(=O)CCOC 1626a_100015191253_100000749529 [1,1,0,0,0,0|2,0,0]=4 3519 B10R0.91 C=CCCNC(=O)CCOC 240690a_100015191253_100000749529 [1,1,0,0,0,0|2,0,0]=4 3520 B10R0.91 C=CCCNC(=O)CCOC 527a_100015191253_100000749529 [1,1,0,0,0,0|2,0,0]=4 3521 B10R0.91 C=CCCNC(=O)CCSC 11a_100015191253_100000174002 [1,1,0,0,0,0|2,0,0]=4 3522 B10R0.91 C=CCCNC(=O)CCSC 1626a_100015191253_100000174002 [1,1,0,0,0,0|2,0,0]=4 3523 B10R0.91 C=CCCNC(=O)CCSC 240690a_100015191253_100000174002 [1,1,0,0,0,0|2,0,0]=4 3524 B10R0.91 C=CCCNC(=O)CCSC 527a_100015191253_100000174002 [1,1,0,0,0,0|2,0,0]=4 3525 B10R0.91 C=CCCNC(=O)COCC 11a_100015191253_100000211967 [1,1,0,0,0,0|2,0,0]=4 3526 B10R0.91 C=CCCNC(=O)COCC 1626a_100015191253_100000211967 [1,1,0,0,0,0|2,0,0]=4 3527 B10R0.91 C=CCCNC(=O)COCC 240690a_100015191253_100000211967 [1,1,0,0,0,0|2,0,0]=4 3528 B10R0.91 C=CCCNC(=O)COCC 527a_100015191253_100000211967 [1,1,0,0,0,0|2,0,0]=4 3529 B10R0.91 C=CCCNC(=O)CSCC 11a_100015191253_100000230394 [1,1,0,0,0,0|2,0,0]=4 3530 B10R0.91 C=CCCNC(=O)CSCC 1626a_100015191253_100000230394 [1,1,0,0,0,0|2,0,0]=4 3531 B10R0.91 C=CCCNC(=O)CSCC 240690a_100015191253_100000230394 [1,1,0,0,0,0|2,0,0]=4 3532 B10R0.91 C=CCCNC(=O)CSCC 527a_100015191253_100000230394 [1,1,0,0,0,0|2,0,0]=4 3533 B10R0.91 C=CCCNC(=O)NCCC 2708a_100015191253_100020643023 [1,1,0,0,0,0|2,0,0]=4 3534 B10R0.91 C=CCCNC(=O)NCCC 2708a_100020643023_100015191253 [1,1,0,0,0,0|2,0,0]=4 3535 B10R0.91 C=CCCNC(=O)NCCC 273464a_100015191253_100020643023 [1,1,0,0,0,0|2,0,0]=4 3536 B10R0.91 C=CCCNC(=O)NCCC 273464a_100020643023_100015191253 [1,1,0,0,0,0|2,0,0]=4 3537 B10R0.91 C=CCCNC(=O)NCCC 512a_100015191253_100020643023 [1,1,0,0,0,0|2,0,0]=4 3538 B10R0.91 C=CCCNC(=O)NCCC 512a_100020643023_100015191253 [1,1,0,0,0,0|2,0,0]=4 3539 B10R0.91 C=CCNCC(=O)NCCC 2230a_100000174927_100000210623 [1,1,0,0,0,0|2,0,0]=4 3540 B10R0.91 C=CCNCC(=O)NCCC 2230a_100020586998_100000183358 [1,1,0,0,0,0|2,0,0]=4 3541 B10R0.91 C=CCNCC(=O)OCCC 2230a_100020586998_200011215008 [1,1,0,0,0,0|2,0,0]=4 3542 B10R0.91 C=CCOCC(=O)NCCC 34a_200000210373_100000183358 [1,1,0,0,0,0|2,0,0]=4 3543 B10R0.91 C=CCOCC(=O)OCCC 34a_200000210373_200011215008 [1,1,0,0,0,0|2,0,0]=4 3544 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [1,1,0,0,0,0|2,0,0]=4 3545 B10R0.91 C=CCSCC(=O)CCCF 1458a_100000230395_100011934791 [1,1,0,0,0,0|2,0,0]=4 3546 B10R0.91 C=CCSCC(=O)CCCO 1458a_100000230395_100011215043 [1,1,0,0,0,0|2,0,0]=4 3547 B10R0.91 C=CCSCC(=O)CCOC 1458a_100000230395_100000233755 [1,1,0,0,0,0|2,0,0]=4 3548 B10R0.91 C=CCSCC(=O)CCSC 1458a_100000230395_100000751147 [1,1,0,0,0,0|2,0,0]=4 3549 B10R0.91 C=CCSCC(=O)NCCC 11a_100020643023_100000230395 [1,1,0,0,0,0|2,0,0]=4 3550 B10R0.91 C=CCSCC(=O)NCCC 1626a_100020643023_100000230395 [1,1,0,0,0,0|2,0,0]=4 3551 B10R0.91 C=CCSCC(=O)NCCC 240690a_100020643023_100000230395 [1,1,0,0,0,0|2,0,0]=4 3552 B10R0.91 C=CCSCC(=O)NCCC 527a_100020643023_100000230395 [1,1,0,0,0,0|2,0,0]=4 3553 B10R0.91 C=CCSCC(=O)NCCC 62a_100000183358_100000210623 [1,1,0,0,0,0|2,0,0]=4 3554 B10R0.91 C=CCSCC(=O)NCCC 62a_100000210623_100000183358 [1,1,0,0,0,0|2,0,0]=4 3555 B10R0.91 C=CCSCC(=O)OCCC 62a_100000210623_200011215008 [1,1,0,0,0,0|2,0,0]=4 3556 B10R0.91 C=CCSCC(=O)OCCC 62a_200011215008_100000210623 [1,1,0,0,0,0|2,0,0]=4 3557 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [1,1,0,0,0,0|2,0,0]=4 3558 B10R0.91 C=COCCC(=O)CCOC 1458a_100000749529_100000039644 [1,1,0,0,0,0|2,0,0]=4 3559 B10R0.91 C=COCCC(=O)CCSC 1458a_100000174002_100000039644 [1,1,0,0,0,0|2,0,0]=4 3560 B10R0.91 C=COCCC(=O)COCC 1458a_100000211967_100000039644 [1,1,0,0,0,0|2,0,0]=4 3561 B10R0.91 C=COCCC(=O)CSCC 1458a_100000230394_100000039644 [1,1,0,0,0,0|2,0,0]=4 3562 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [1,1,0,0,0,0|0,0,2]=4 3563 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [1,1,0,0,0,0|0,0,2]=4 3564 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [1,1,0,0,0,0|0,0,2]=4 3565 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [1,1,0,0,0,0|0,0,2]=4 3566 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [1,1,0,0,0,0|0,0,2]=4 3567 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [1,1,0,0,0,0|1,0,1]=4 3568 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [1,1,0,0,0,0|1,0,1]=4 3569 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,1,0,0,0,0|1,0,1]=4 3570 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,1,0,0,0,0|0,0,1]=3 3571 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,1,0,0,0,0|0,0,1]=3 3572 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,1,0,0,0,0|2,0,0]=4 3573 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,1,0,0,0,0|2,0,0]=4 3574 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,1,0,0,0,0|2,0,0]=4 3575 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [1,1,0,0,0,0|1,0,1]=4 3576 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [1,1,0,0,0,0|1,0,1]=4 3577 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [1,1,0,0,0,0|1,0,1]=4 3578 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|1,0,1]=4 3579 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|1,0,1]=4 3580 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,1,0,0,0,0|1,0,1]=4 3581 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|1,0,1]=4 3582 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|1,0,1]=4 3583 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|1,0,1]=4 3584 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,1,0,0,0,0|1,0,1]=4 3585 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,1,0,0,0,0|1,0,1]=4 3586 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,1,0,0,0,0|1,0,1]=4 3587 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|1,0,1]=4 3588 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|1,0,1]=4 3589 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,1,0,0,0,0|1,0,1]=4 3590 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,1,0,0,0,0|1,0,1]=4 3591 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,1,0,0,0,0|1,0,1]=4 3592 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 3593 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 3594 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 3595 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 3596 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [1,1,0,0,0,0|2,0,0]=4 3597 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [1,1,0,0,0,0|2,0,0]=4 3598 B10R0.91 CCCNC(=O)CCCC#N 11a_100020643023_100000075515 [1,1,0,0,0,0|1,0,1]=4 3599 B10R0.91 CCCNC(=O)CCCC#N 1626a_100020643023_100000075515 [1,1,0,0,0,0|1,0,1]=4 3600 B10R0.91 CCCNC(=O)CCCC#N 240690a_100020643023_100000075515 [1,1,0,0,0,0|1,0,1]=4 3601 B10R0.91 CCCNC(=O)CCCC#N 527a_100020643023_100000075515 [1,1,0,0,0,0|1,0,1]=4 3602 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [1,1,0,0,0,0|0,0,1]=3 3603 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [1,1,0,0,0,0|2,0,0]=4 3604 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [1,1,0,0,0,0|2,0,0]=4 3605 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 3606 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 3607 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 3608 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 3609 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 3610 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 3611 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 3612 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 3613 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [1,1,0,0,0,0|2,0,0]=4 3614 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [1,1,0,0,0,0|2,0,0]=4 3615 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [1,1,0,0,0,0|2,0,0]=4 3616 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [1,1,0,0,0,0|2,0,0]=4 3617 B10R0.91 CCCNC(=O)CNCC=O 2230a_100000174927_200015260668 [1,1,0,0,0,0|1,0,0]=3 3618 B10R0.91 CCCNC(=O)CNCCO 2230a_100000174927_100000211926 [1,1,0,0,0,0|1,0,1]=4 3619 B10R0.91 CCCNC(=O)CNCCO 2230a_100016997473_100000183358 [1,1,0,0,0,0|1,0,1]=4 3620 B10R0.91 CCCNC(=O)CNCCO 34a_100016990907_100000183358 [1,1,0,0,0,0|1,0,1]=4 3621 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [1,1,0,0,0,0|1,0,1]=4 3622 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [1,1,0,0,0,0|1,0,1]=4 3623 B10R0.91 CCCNC(=O)CSCC=O 62a_100000183358_200015260668 [1,1,0,0,0,0|1,0,0]=3 3624 B10R0.91 CCCNC(=O)CSCC=O 62a_200015260668_100000183358 [1,1,0,0,0,0|1,0,0]=3 3625 B10R0.91 CCCNC(=O)CSCCO 62a_100000183358_100000211926 [1,1,0,0,0,0|1,0,1]=4 3626 B10R0.91 CCCNC(=O)CSCCO 62a_100000211926_100000183358 [1,1,0,0,0,0|1,0,1]=4 3627 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [1,1,0,0,0,0|1,0,1]=4 3628 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [1,1,0,0,0,0|1,0,1]=4 3629 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [1,1,0,0,0,0|1,0,1]=4 3630 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [1,1,0,0,0,0|1,0,1]=4 3631 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [1,1,0,0,0,0|1,0,1]=4 3632 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [1,1,0,0,0,0|1,0,1]=4 3633 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [1,1,0,0,0,0|1,0,0]=3 3634 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [1,1,0,0,0,0|1,0,0]=3 3635 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [1,1,0,0,0,0|1,0,1]=4 3636 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [1,1,0,0,0,0|1,0,1]=4 3637 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [1,1,0,0,0,0|1,0,1]=4 3638 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [1,1,0,0,0,0|1,0,1]=4 3639 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [1,1,0,0,0,0|0,0,1]=3 3640 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [1,1,0,0,0,0|2,0,0]=4 3641 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [1,1,0,0,0,0|1,0,1]=4 3642 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [1,1,0,0,0,0|1,0,1]=4 3643 B10R0.91 CCSCC(=O)CCCC#N 1458a_100000230394_100000211468 [1,1,0,0,0,0|1,0,1]=4 3644 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [1,1,0,0,0,0|1,0,1]=4 3645 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [1,1,0,0,0,0|0,0,1]=3 3646 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [1,1,0,0,0,0|2,0,0]=4 3647 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [1,1,0,0,0,0|1,0,1]=4 3648 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [1,1,0,0,0,0|1,0,1]=4 3649 B10R0.91 CN(CCCO)CCCC=O 2230a_100000213112_200011292268 [1,1,0,0,0,0|2,0,0]=4 3650 B10R0.91 CN(CCCO)CCCC=O 269982a_100000213112_200011292268 [1,1,0,0,0,0|2,0,0]=4 3651 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [1,1,0,0,0,0|1,0,1]=4 3652 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [1,1,0,0,0,0|1,0,1]=4 3653 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [1,1,0,0,0,0|1,0,1]=4 3654 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [1,1,0,0,0,0|0,0,1]=3 3655 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [1,1,0,0,0,0|0,0,1]=3 3656 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [1,1,0,0,0,0|2,0,0]=4 3657 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [1,1,0,0,0,0|1,0,1]=4 3658 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [1,1,0,0,0,0|1,0,1]=4 3659 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [1,1,0,0,0,0|1,0,1]=4 3660 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [1,1,0,0,0,0|2,0,0]=4 3661 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [1,1,0,0,0,0|2,0,0]=4 3662 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [1,1,0,0,0,0|2,0,0]=4 3663 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [1,1,0,0,0,0|2,0,0]=4 3664 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [1,1,0,0,0,0|2,0,0]=4 3665 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [1,1,0,0,0,0|2,0,0]=4 3666 B10R0.91 COCCN(C)CCCC=O 2230a_100000743101_200011292268 [1,1,0,0,0,0|2,0,0]=4 3667 B10R0.91 COCCN(C)CCCC=O 269982a_100000743101_200011292268 [1,1,0,0,0,0|2,0,0]=4 3668 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000075515_100000751147 [1,1,0,0,0,0|1,0,1]=4 3669 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000174002_100000211468 [1,1,0,0,0,0|1,0,1]=4 3670 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [1,1,0,0,0,0|1,0,1]=4 3671 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [1,1,0,0,0,0|0,0,1]=3 3672 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [1,1,0,0,0,0|0,0,1]=3 3673 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [1,1,0,0,0,0|1,0,1]=4 3674 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [1,1,0,0,0,0|1,0,1]=4 3675 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [1,1,0,0,0,0|1,0,1]=4 3676 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [1,1,0,0,0,0|2,0,0]=4 3677 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [1,1,0,0,0,0|2,0,0]=4 3678 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [1,1,0,0,0,0|2,0,0]=4 3679 B10R0.91 CSCCN(C)CCCC=O 2230a_100000686725_200011292268 [1,1,0,0,0,0|2,0,0]=4 3680 B10R0.91 CSCCN(C)CCCC=O 269982a_100000686725_200011292268 [1,1,0,0,0,0|2,0,0]=4 3681 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [1,1,0,0,0,0|0,0,2]=4 3682 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [1,1,0,0,0,0|0,0,2]=4 3683 B10R0.91 N#CCCCC(=O)CCCF 1458a_100000075515_100011934791 [1,1,0,0,0,0|1,0,1]=4 3684 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [1,1,0,0,0,0|1,0,1]=4 3685 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [1,1,0,0,0,0|1,0,1]=4 3686 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [1,1,0,0,0,0|0,0,1]=3 3687 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [1,1,0,0,0,0|1,0,1]=4 3688 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [1,1,0,0,0,0|0,0,1]=3 3689 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [1,1,0,0,0,0|1,0,1]=4 3690 B10R0.91 O=CCNCC(=O)NCCF 2230a_100000725713_200015260668 [1,1,0,0,0,0|2,0,0]=4 3691 B10R0.108 C=CC(C)SCC(=O)CCC 62a_100011215867_100000747444 [1,1,0,0,0,0|2,0,0]=4 3692 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|1,0,1]=4 3693 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [1,1,0,0,0,0|1,0,1]=4 3694 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [1,1,0,0,0,0|1,0,1]=4 3695 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [1,1,0,0,0,0|1,0,1]=4 3696 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [1,1,0,0,0,0|1,0,1]=4 3697 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [1,1,0,0,0,0|1,0,1]=4 3698 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [1,1,0,0,0,0|1,0,1]=4 3699 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [1,1,0,0,0,0|1,0,1]=4 3700 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [1,1,0,0,0,0|1,0,1]=4 3701 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [1,1,0,0,0,0|1,0,1]=4 3702 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [1,1,0,0,0,0|1,0,1]=4 3703 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,1,0,0,1,0|1,0,1]=4 3704 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,1,0,0,1,0|2,0,0]=4 3705 B10R0.26 CCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210303 [0,1,0,0,1,0|2,0,0]=4 3706 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,1,0,0,1,0|2,0,0]=4 3707 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,1,0,0,1,0|2,0,0]=4 3708 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000211992 [0,1,0,0,1,0|2,0,0]=4 3709 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000211992 [0,1,0,0,1,0|2,0,0]=4 3710 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000211992 [0,1,0,0,1,0|2,0,0]=4 3711 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,1,0|2,0,0]=4 3712 B10R0.26 CNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_200000210301 [0,1,0,0,1,0|2,0,0]=4 3713 B10R0.26 C[C@H](NC(=O)CN[13CH3])C(=O)O 269956a_100011417567_200025704644 [0,1,0,0,1,0|2,0,0]=4 3714 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,0,0,1,0|2,0,0]=4 3715 B10R0.32 CCCC(=O)N(C)CC(=O)N 11a_100000739694_100000211992 [0,1,0,0,1,0|2,0,0]=4 3716 B10R0.32 CCCC(=O)N(C)CC(=O)N 527a_100000739694_100000211992 [0,1,0,0,1,0|2,0,0]=4 3717 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,1,0,0,1,0|2,0,0]=4 3718 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,0,0,1,0|2,0,0]=4 3719 B10R0.32 CN(CC(=O)O)C(=O)CN[13CH3] 269956a_100011216108_200025704644 [0,1,0,0,1,0|2,0,0]=4 3720 B10R0.32 CNCC(=O)N(C)CC(=O)O 269956a_100011216108_200000210301 [0,1,0,0,1,0|2,0,0]=4 3721 B10R0.96 C=C(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748629 [0,1,0,0,1,0|1,0,1]=4 3722 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,1,0,0,1,0|2,0,0]=4 3723 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,1,0,0,1,0|2,0,0]=4 3724 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,1,0,0,1,0|2,0,0]=4 3725 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,1,0,0,1,0|2,0,0]=4 3726 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,1,0,0,1,0|2,0,0]=4 3727 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,1,0|2,0,0]=4 3728 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,1,0,0,1,0|2,0,0]=4 3729 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,1,0,0,1,0|2,0,0]=4 3730 B10R0.96 CC(=O)NCC(=O)CC(C)O 1458a_100000194580_100011218427 [0,1,0,0,1,0|2,0,0]=4 3731 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,1,0,0,1,0|2,0,0]=4 3732 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,1,0,0,1,0|2,0,0]=4 3733 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,1,0,0,1,0|2,0,0]=4 3734 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,1,0,0,1,0|2,0,0]=4 3735 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,1,0,0,1,0|1,0,0]=3 3736 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,1,0|1,0,1]=4 3737 B10R0.96 CC(C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210624 [0,1,0,0,1,0|1,0,1]=4 3738 B10R0.96 CC(C)CC(=O)CNC(=O)N 1458a_100000184981_100000210624 [0,1,0,0,1,0|2,0,0]=4 3739 B10R0.96 CC(C)CC(=O)NCC(=O)N 11a_100000711301_100000210554 [0,1,0,0,1,0|2,0,0]=4 3740 B10R0.96 CC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000210554 [0,1,0,0,1,0|2,0,0]=4 3741 B10R0.96 CC(C)CC(=O)NCC(=O)N 527a_100000711301_100000210554 [0,1,0,0,1,0|2,0,0]=4 3742 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,1,0,0,1,0|2,0,0]=4 3743 B10R0.96 CC(C)NC(=O)CCC(=O)N 240690a_100138425928_100011215257 [0,1,0,0,1,0|2,0,0]=4 3744 B10R0.96 CC(C)NC(=O)CCC(=O)N 527a_100138425928_100011215257 [0,1,0,0,1,0|2,0,0]=4 3745 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,1,0,0,1,0|1,0,0]=3 3746 B10R0.96 CC(O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011218427 [0,1,0,0,1,0|1,0,1]=4 3747 B10R0.96 CC(O)CC(=O)CNC(=O)N 1458a_100000184981_100011218427 [0,1,0,0,1,0|2,0,0]=4 3748 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,1,0,0,1,0|1,0,1]=4 3749 B10R0.96 C[C@@H](O)CC(=O)NCC(=O)N 240690a_100000711301_100011933948 [0,1,0,0,1,0|2,0,0]=4 3750 B10R0.96 NC(=O)CCC(=O)CC(F)F 1458a_100011215257_100011934356 [0,1,0,0,1,0|2,0,0]=4 3751 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000211992_100000731031 [0,1,0,0,1,0|1,0,1]=4 3752 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210303 [0,1,0,0,1,0|1,0,1]=4 3753 B10R0.109 CCCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210303 [0,1,0,0,1,0|1,0,1]=4 3754 B10R0.109 CCCC(=O)CCS(=O)(=O)[O-] 1458a_100000211992_100000762736 [0,1,0,0,1,0|1,0,1]=4 3755 B12R0.54 C=C(CNCC(=O)O)C(=O)OCC 269956a_100016091260_100000755967 [0,1,0,0,0,1|1,0,1]=4 3756 B12R0.54 CCCC(C)N(C)CCCC(=O)O 269956a_100000719178_100000766640 [0,1,0,0,0,1|1,0,1]=4 3757 B12R0.54 CCNC(=O)C(=O)CCCC(=O)C 1458a_200011297158_100011215641 [0,1,0,0,0,1|2,0,0]=4 3758 B12R0.54 CCNC(=O)C(=O)CCCC(=O)N 1458a_200011297158_100102525003 [0,1,0,0,0,1|2,0,0]=4 3759 B12R0.54 CCNC(=O)C(C)NCCC(=O)N 2230a_100000736553_100000744528 [0,1,0,0,0,1|2,0,0]=4 3760 B12R0.54 CCNC(=O)C(C)NCCC(=O)N 34a_100000736553_100000731001 [0,1,0,0,0,1|2,0,0]=4 3761 B12R0.54 CCNC(=O)C(C)NOCC(=O)O 269956a_100000106656_100000230173 [0,1,0,0,0,1|2,0,0]=4 3762 B12R0.54 CCNC(=O)C(C)OCCC(=O)C 34a_100000759926_100000230173 [0,1,0,0,0,1|2,0,0]=4 3763 B12R0.54 CCNC(=O)C(C)OCCC(=O)C 7a_100000759926_100000230173 [0,1,0,0,0,1|2,0,0]=4 3764 B12R0.54 CCNC(=O)C(C)OCCC(=O)N 34a_100000757172_100000230173 [0,1,0,0,0,1|2,0,0]=4 3765 B12R0.54 CCNC(=O)C(C)OCCC(=O)N 7a_100000757172_100000230173 [0,1,0,0,0,1|2,0,0]=4 3766 B12R0.54 CCNC(=O)C(C)SCCC(=O)C 62a_100000053229_100000230173 [0,1,0,0,0,1|2,0,0]=4 3767 B12R0.54 CCNC(=O)C(C)SCCC(=O)C 62a_100000230173_100000053229 [0,1,0,0,0,1|2,0,0]=4 3768 B12R0.54 CCNC(=O)C(C)SCCC(=O)N 62a_100000230173_100000744528 [0,1,0,0,0,1|2,0,0]=4 3769 B12R0.54 CCNC(=O)C(C)SCCC(=O)N 62a_100000744528_100000230173 [0,1,0,0,0,1|2,0,0]=4 3770 B12R0.54 CCOC(=O)C(C)OCCC(=O)C 34a_100000759926_100011216346 [0,1,0,0,0,1|2,0,0]=4 3771 B12R0.54 CCOC(=O)C(C)OCCC(=O)C 7a_100000759926_100011216346 [0,1,0,0,0,1|2,0,0]=4 3772 B12R0.54 CCOC(=O)C(C)OCCC(=O)N 34a_100000757172_100011216346 [0,1,0,0,0,1|2,0,0]=4 3773 B12R0.54 CCOC(=O)C(C)OCCC(=O)N 7a_100000757172_100011216346 [0,1,0,0,0,1|2,0,0]=4 3774 B12R0.54 CCOC(=O)C(C)SCCC(=O)C 62a_100000053229_100011216346 [0,1,0,0,0,1|2,0,0]=4 3775 B12R0.54 CCOC(=O)C(C)SCCC(=O)C 62a_100011216346_100000053229 [0,1,0,0,0,1|2,0,0]=4 3776 B12R0.54 CCOC(=O)C(C)SCCC(=O)N 62a_100000744528_100011216346 [0,1,0,0,0,1|2,0,0]=4 3777 B12R0.54 CCOC(=O)C(C)SCCC(=O)N 62a_100011216346_100000744528 [0,1,0,0,0,1|2,0,0]=4 3778 B12R0.54 CCOC(=O)C(F)OCCC(=O)C 34a_100000759926_100000760018 [0,1,0,0,0,1|2,0,0]=4 3779 B12R0.54 CCOC(=O)C(F)OCCC(=O)C 7a_100000759926_100000040065 [0,1,0,0,0,1|2,0,0]=4 3780 B12R0.54 CCOC(=O)C(F)OCCC(=O)N 34a_100000757172_100000760018 [0,1,0,0,0,1|2,0,0]=4 3781 B12R0.54 CCOC(=O)C(F)OCCC(=O)N 7a_100000757172_100000040065 [0,1,0,0,0,1|2,0,0]=4 3782 B12R0.54 CCOC(=O)C(F)SCCC(=O)C 62a_100000053229_100000760018 [0,1,0,0,0,1|2,0,0]=4 3783 B12R0.54 CCOC(=O)C(F)SCCC(=O)C 62a_100000760018_100000053229 [0,1,0,0,0,1|2,0,0]=4 3784 B12R0.54 CCOC(=O)C(F)SCCC(=O)N 62a_100000744528_100000760018 [0,1,0,0,0,1|2,0,0]=4 3785 B12R0.54 CCOC(=O)C(F)SCCC(=O)N 62a_100000760018_100000744528 [0,1,0,0,0,1|2,0,0]=4 3786 B12R0.54 CCOC(=O)[C@H](C)OCCC(=O)C 7a_100000751109_100000053229 [0,1,0,0,0,1|2,0,0]=4 3787 B12R0.54 CCOC(=O)[C@H](C)OCCC(=O)N 7a_100000751109_100000744528 [0,1,0,0,0,1|2,0,0]=4 3788 B12R0.54 CCSC(=O)[C@H](C)NCCC(=O)N 2230a_100103168634_100000744528 [0,1,0,0,0,1|2,0,0]=4 3789 B12R0.72 CCCC(=O)CNCCS(=O)(=O)C 2230a_100000740961_100000747444 [0,1,0,0,0,1|1,0,1]=4 3790 B12R0.72 CCCC(=O)CNCCS(=O)(=O)N 2230a_100000738205_100000747444 [0,1,0,0,0,1|1,0,1]=4 3791 B12R0.72 CCCC(=O)COCCS(=O)(=O)C 7a_100000211924_100000747444 [0,1,0,0,0,1|1,0,1]=4 3792 B12R0.72 CCCC(=O)CSCCC(C)(C)O 62a_100000702414_100000747444 [0,1,0,0,0,1|1,0,1]=4 3793 B12R0.72 CCCC(=O)CSCCC(C)(C)O 62a_100000747444_100000702414 [0,1,0,0,0,1|1,0,1]=4 3794 B12R0.72 CCCC(=O)CSCCS(=O)(=O)C 62a_100000731031_100000747444 [0,1,0,0,0,1|1,0,1]=4 3795 B12R0.72 CCCC(=O)CSCCS(=O)(=O)C 62a_100000747444_100000230027 [0,1,0,0,0,1|1,0,1]=4 3796 B12R0.72 CCCC(=O)CSCCS(=O)(=O)[O-] 62a_100000747444_100000762736 [0,1,0,0,0,1|1,0,1]=4 3797 B12R0.72 CCCC(=O)CSCCS(=O)(=O)[O-] 62a_100000762736_100000747444 [0,1,0,0,0,1|1,0,1]=4 3798 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C 11a_100000742409_100000211992 [0,1,0,0,0,1|1,0,1]=4 3799 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C 1626a_100000742409_100000211992 [0,1,0,0,0,1|1,0,1]=4 3800 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C 240690a_100000742409_100000211992 [0,1,0,0,0,1|1,0,1]=4 3801 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C 527a_100000742409_100000211992 [0,1,0,0,0,1|1,0,1]=4 3802 B12R0.86 CC(=O)CCCCC(=O)C(O)CO 1458a_100011215603_100000735457 [0,1,0,0,0,1|2,0,0]=4 3803 B12R0.86 CC(=O)OCCCC(=O)C(O)CO 1458a_100011215603_100000042594 [0,1,0,0,0,1|2,0,0]=4 3804 B12R0.86 CC(=O)SCCCC(=O)C(O)CO 1458a_100011215603_100000038929 [0,1,0,0,0,1|2,0,0]=4 3805 B12R0.86 CCC(C)C(=O)CCCCB(O)O 1458a_100011192722_200009817182 [0,1,0,0,0,1|1,0,1]=4 3806 B12R0.86 CCC(C)C(=O)CCCCC(=O)C 1458a_100011192722_100000735457 [0,1,0,0,0,1|1,0,0]=3 3807 B12R0.86 CCC(C)C(=O)CCCN=C(N)N 1458a_100000034108_100000758301 [0,1,0,0,0,1|2,0,0]=4 3808 B12R0.86 CCC(C)C(=O)CCCNC(=O)C 1458a_100000194741_100000758301 [0,1,0,0,0,1|1,0,0]=3 3809 B12R0.86 CCC(C)C(=O)CCCOC(=O)C 1458a_100011192722_100000042594 [0,1,0,0,0,1|1,0,0]=3 3810 B12R0.86 CCC(C)C(=O)CCCOC(=S)C 1458a_100011192722_200135323944 [0,1,0,0,0,1|1,1,0]=4 3811 B12R0.86 CCC(C)C(=O)CCCSC(=O)C 1458a_100011192722_100000038929 [0,1,0,0,0,1|1,0,0]=3 3812 B12R0.86 CCC(C)C(=O)CCOCC(=O)N 1458a_100011192722_100000076697 [0,1,0,0,0,1|1,0,0]=3 3813 B12R0.86 CCC(C)C(=O)CCSCC(=O)N 1458a_100000148550_100000758301 [0,1,0,0,0,1|1,0,0]=3 3814 B12R0.86 CCC(C)C(=O)NCCCC(=O)N 240690a_100000739312_100011192722 [0,1,0,0,0,1|1,0,0]=3 3815 B12R0.86 CCC(C)C(=O)NCCCC(=O)N 527a_100000739312_100011192722 [0,1,0,0,0,1|1,0,0]=3 3816 B12R0.86 CCC(C)C(=O)NCCCS(=O)C 11a_200000753449_100011192722 [0,1,0,0,0,1|2,0,0]=4 3817 B12R0.86 CCC(C)C(=O)NCCCS(=O)C 240690a_200000753449_100011192722 [0,1,0,0,0,1|2,0,0]=4 3818 B12R0.86 CCC(C)C(=O)NCCCS(=O)C 527a_200000753449_100011192722 [0,1,0,0,0,1|2,0,0]=4 3819 B12R0.86 CCC(C)C(=O)NCCNC(=O)C 240690a_100000209853_100011192722 [0,1,0,0,0,1|2,0,0]=4 3820 B12R0.86 CCC(C)C(=O)NCCNC(=O)C 527a_100000209853_100011192722 [0,1,0,0,0,1|2,0,0]=4 3821 B12R0.86 CCC(C)C(=O)NCCNC(=O)N 240690a_100020590234_100011192722 [0,1,0,0,0,1|2,0,0]=4 3822 B12R0.86 CCC(C)C(=O)NCCNC(=O)N 527a_100020590234_100011192722 [0,1,0,0,0,1|2,0,0]=4 3823 B12R0.86 CCC(C)C(=O)NCCOC(=O)C 11a_100000724843_100011192722 [0,1,0,0,0,1|2,0,0]=4 3824 B12R0.86 CCC(C)C(=O)NCCOC(=O)C 240690a_100000724843_100011192722 [0,1,0,0,0,1|2,0,0]=4 3825 B12R0.86 CCC(C)C(=O)NCCOC(=O)C 527a_100000724843_100011192722 [0,1,0,0,0,1|2,0,0]=4 3826 B12R0.86 CCC(C)C(=O)NCCSC(=O)C 11a_100020647217_100011192722 [0,1,0,0,0,1|2,0,0]=4 3827 B12R0.86 CCC(C)C(=O)NCCSC(=O)C 240690a_100020647217_100011192722 [0,1,0,0,0,1|2,0,0]=4 3828 B12R0.86 CCC(C)C(=O)NCCSC(=O)C 527a_100020647217_100011192722 [0,1,0,0,0,1|2,0,0]=4 3829 B12R0.86 CCC(O)C(=O)CCCCB(O)O 1458a_100011196387_200009817182 [0,1,0,0,0,1|1,0,1]=4 3830 B12R0.86 CCC(O)C(=O)CCCCC(=O)C 1458a_100011196387_100000735457 [0,1,0,0,0,1|1,0,0]=3 3831 B12R0.86 CCC(O)C(=O)CCCOC(=O)C 1458a_100011196387_100000042594 [0,1,0,0,0,1|1,0,0]=3 3832 B12R0.86 CCC(O)C(=O)CCCOC(=S)C 1458a_100011196387_200135323944 [0,1,0,0,0,1|1,1,0]=4 3833 B12R0.86 CCC(O)C(=O)CCCSC(=O)C 1458a_100011196387_100000038929 [0,1,0,0,0,1|1,0,0]=3 3834 B12R0.86 CCC(O)C(=O)CCOCC(=O)N 1458a_100011196387_100000076697 [0,1,0,0,0,1|1,0,0]=3 3835 B12R0.86 CCC(O)C(=O)NCCCC(=O)N 240690a_100000739312_100011196387 [0,1,0,0,0,1|1,0,0]=3 3836 B12R0.86 CCC(O)C(=O)NCCCS(=O)C 240690a_200000753449_100011196387 [0,1,0,0,0,1|2,0,0]=4 3837 B12R0.86 CCC(O)C(=O)NCCNC(=O)C 240690a_100000209853_100011196387 [0,1,0,0,0,1|2,0,0]=4 3838 B12R0.86 CCC(O)C(=O)NCCNC(=O)N 240690a_100020590234_100011196387 [0,1,0,0,0,1|2,0,0]=4 3839 B12R0.86 CCC(O)C(=O)NCCOC(=O)C 240690a_100000724843_100011196387 [0,1,0,0,0,1|2,0,0]=4 3840 B12R0.86 CCC(O)C(=O)NCCSC(=O)C 240690a_100020647217_100011196387 [0,1,0,0,0,1|2,0,0]=4 3841 B12R0.86 CCN(C)C(=O)CCCNC(=O)C 11a_100000225621_100000194741 [0,1,0,0,0,1|2,0,0]=4 3842 B12R0.86 CCN(C)C(=O)CCCNC(=O)C 1626a_100000225621_100000194741 [0,1,0,0,0,1|2,0,0]=4 3843 B12R0.86 CCN(C)C(=O)CCCNC(=O)C 240690a_100000225621_100000194741 [0,1,0,0,0,1|2,0,0]=4 3844 B12R0.86 CCN(C)C(=O)CCCNC(=O)C 527a_100000225621_100000194741 [0,1,0,0,0,1|2,0,0]=4 3845 B12R0.86 CCN(C)C(=O)CCSCC(=O)N 11a_100000225621_100000148550 [0,1,0,0,0,1|2,0,0]=4 3846 B12R0.86 CCN(C)C(=O)CCSCC(=O)N 240690a_100000225621_100000148550 [0,1,0,0,0,1|2,0,0]=4 3847 B12R0.86 CCN(C)C(=O)CCSCC(=O)N 527a_100000225621_100000148550 [0,1,0,0,0,1|2,0,0]=4 3848 B12R0.86 CCN(C)C(=O)CNOCC(=O)O 269956a_100000106656_100000738999 [0,1,0,0,0,1|2,0,0]=4 3849 B12R0.86 CCN(C)C(=O)COCCC(=O)C 34a_100000759926_100000738999 [0,1,0,0,0,1|2,0,0]=4 3850 B12R0.86 CCN(C)C(=O)COCCC(=O)C 7a_100000759926_100000738999 [0,1,0,0,0,1|2,0,0]=4 3851 B12R0.86 CCN(C)C(=O)COCCC(=O)N 34a_100000757172_100000738999 [0,1,0,0,0,1|2,0,0]=4 3852 B12R0.86 CCN(C)C(=O)COCCC(=O)N 7a_100000757172_100000738999 [0,1,0,0,0,1|2,0,0]=4 3853 B12R0.86 CCN(C)C(=O)CSCCC(=O)C 62a_100000053229_100000738999 [0,1,0,0,0,1|2,0,0]=4 3854 B12R0.86 CCN(C)C(=O)CSCCC(=O)C 62a_100000738999_100000053229 [0,1,0,0,0,1|2,0,0]=4 3855 B12R0.86 CCN(C)C(=O)CSCCC(=O)N 62a_100000738999_100000744528 [0,1,0,0,0,1|2,0,0]=4 3856 B12R0.86 CCN(C)C(=O)CSCCC(=O)N 62a_100000744528_100000738999 [0,1,0,0,0,1|2,0,0]=4 3857 B12R0.86 CCN(C)C(=O)NCCCC(=O)N 273464a_100000739312_100000225621 [0,1,0,0,0,1|2,0,0]=4 3858 B12R0.86 COC(C)C(=O)CCCCC(=O)C 1458a_100000743197_100000735457 [0,1,0,0,0,1|2,0,0]=4 3859 B12R0.86 COC(C)C(=O)CCCOC(=O)C 1458a_100000743197_100000042594 [0,1,0,0,0,1|2,0,0]=4 3860 B12R0.86 COC(C)C(=O)CCCSC(=O)C 1458a_100000743197_100000038929 [0,1,0,0,0,1|2,0,0]=4 3861 B12R0.86 COC(C)C(=O)CCOCC(=O)N 1458a_100000743197_100000076697 [0,1,0,0,0,1|2,0,0]=4 3862 B12R0.86 COC(C)C(=O)NCCCC(=O)N 240690a_100000739312_100000743197 [0,1,0,0,0,1|2,0,0]=4 3863 B12R0.86 COC(C)C(=O)NCCCC(=O)N 527a_100000739312_100000743197 [0,1,0,0,0,1|2,0,0]=4 3864 B12R0.86 CSC(C)C(=O)CCCCC(=O)C 1458a_100000149566_100000735457 [0,1,0,0,0,1|2,0,0]=4 3865 B12R0.86 CSC(C)C(=O)CCCOC(=O)C 1458a_100000149566_100000042594 [0,1,0,0,0,1|2,0,0]=4 3866 B12R0.86 CSC(C)C(=O)CCCSC(=O)C 1458a_100000149566_100000038929 [0,1,0,0,0,1|2,0,0]=4 3867 B12R0.86 CSC(C)C(=O)CCOCC(=O)N 1458a_100000149566_100000076697 [0,1,0,0,0,1|2,0,0]=4 3868 B12R0.86 CSC(C)C(=O)NCCCC(=O)N 240690a_100000739312_100000149566 [0,1,0,0,0,1|2,0,0]=4 3869 B12R0.86 CSC(C)C(=O)NCCCC(=O)N 527a_100000739312_100000149566 [0,1,0,0,0,1|2,0,0]=4 3870 B12R0.86 NC(=O)CCCNC(=O)C(O)CO 240690a_100000739312_100011215603 [0,1,0,0,0,1|2,0,0]=4 3871 B12R0.86 NC(=O)COCCC(=O)C(O)CO 1458a_100011215603_100000076697 [0,1,0,0,0,1|2,0,0]=4 3872 B12R0.95 C#CCCC(=O)CCCCC(=O)C 1458a_100000692101_100000735457 [0,1,0,0,0,1|1,0,1]=4 3873 B12R0.95 C#CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000753159 [0,1,0,0,0,1|1,0,1]=4 3874 B12R0.95 C#CCCC(=O)CCCOC(=O)C 1458a_100000692101_100000042594 [0,1,0,0,0,1|1,0,1]=4 3875 B12R0.95 C#CCCC(=O)CCCSC(=O)C 1458a_100000692101_100000038929 [0,1,0,0,0,1|1,0,1]=4 3876 B12R0.95 C#CCCC(=O)CCOCC(=O)N 1458a_100000692101_100000076697 [0,1,0,0,0,1|1,0,1]=4 3877 B12R0.95 C#CCCC(=O)CCOCC(=O)N 34a_100011064465_100000187820 [0,1,0,0,0,1|1,0,1]=4 3878 B12R0.95 C#CCCC(=O)CCOCC(=O)N 7a_100011064465_100000187820 [0,1,0,0,0,1|1,0,1]=4 3879 B12R0.95 C#CCCC(=O)CCOCC(=O)[O-] 34a_100011064465_100020667443 [0,1,0,0,0,1|0,0,2]=4 3880 B12R0.95 C#CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000753159 [0,1,0,0,0,1|1,0,1]=4 3881 B12R0.95 C#CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000692101 [0,1,0,0,0,1|1,0,1]=4 3882 B12R0.95 C#CCCC(=O)NCCCC(=O)N 527a_100000739312_100000692101 [0,1,0,0,0,1|1,0,1]=4 3883 B12R0.95 C/C=C/CC(=O)CCCNC(=O)C 1458a_100000194741_100102629194 [0,1,0,0,0,1|1,0,1]=4 3884 B12R0.95 C/C=C/CC(=O)CCSCC(=O)N 1458a_100000148550_100102629194 [0,1,0,0,0,1|1,0,1]=4 3885 B12R0.95 C=C(Br)CCOCC(=O)NCCC 34a_100009813270_100000183358 [0,1,0,0,0,1|2,0,0]=4 3886 B12R0.95 C=C(Br)CCOCC(=O)OCCC 34a_100009813270_200011215008 [0,1,0,0,0,1|2,0,0]=4 3887 B12R0.95 C=C(C)CCNCC(=O)NCCC 2230a_100000174927_100000730704 [0,1,0,0,0,1|2,0,0]=4 3888 B12R0.95 C=C(C)CCOCC(=O)NCCC 34a_100000764851_100000183358 [0,1,0,0,0,1|2,0,0]=4 3889 B12R0.95 C=C(C)CCOCC(=O)OCCC 34a_100000764851_200011215008 [0,1,0,0,0,1|2,0,0]=4 3890 B12R0.95 C=C(C)CCSCC(=O)NCCC 62a_100000183358_100000730704 [0,1,0,0,0,1|2,0,0]=4 3891 B12R0.95 C=C(C)CCSCC(=O)NCCC 62a_100000730704_100000183358 [0,1,0,0,0,1|2,0,0]=4 3892 B12R0.95 C=C(C)CCSCC(=O)OCCC 62a_100000730704_200011215008 [0,1,0,0,0,1|2,0,0]=4 3893 B12R0.95 C=C(C)CCSCC(=O)OCCC 62a_200011215008_100000730704 [0,1,0,0,0,1|2,0,0]=4 3894 B12R0.95 C=CCCC(=O)CCCCC(=O)C 1458a_100000749702_100000735457 [0,1,0,0,0,1|1,0,1]=4 3895 B12R0.95 C=CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000754431 [0,1,0,0,0,1|1,0,1]=4 3896 B12R0.95 C=CCCC(=O)CCCOC(=O)C 1458a_100000749702_100000042594 [0,1,0,0,0,1|1,0,1]=4 3897 B12R0.95 C=CCCC(=O)CCCSC(=O)C 1458a_100000749702_100000038929 [0,1,0,0,0,1|1,0,1]=4 3898 B12R0.95 C=CCCC(=O)CCOCC(=O)N 1458a_100000749702_100000076697 [0,1,0,0,0,1|1,0,1]=4 3899 B12R0.95 C=CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000754431 [0,1,0,0,0,1|1,0,1]=4 3900 B12R0.95 C=CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000749702 [0,1,0,0,0,1|1,0,1]=4 3901 B12R0.95 C=CCCC(=O)NCCCC(=O)N 527a_100000739312_100000749702 [0,1,0,0,0,1|1,0,1]=4 3902 B12R0.95 C=CCNC(=O)CCNCC(=O)O 269956a_100016091260_100011222895 [0,1,0,0,0,1|0,0,2]=4 3903 B12R0.95 CC#CCC(=O)CCCNC(=O)C 1458a_100000194741_100000748600 [0,1,0,0,0,1|1,0,1]=4 3904 B12R0.95 CC#CCC(=O)CCSCC(=O)N 1458a_100000148550_100000748600 [0,1,0,0,0,1|1,0,1]=4 3905 B12R0.95 CC(=O)CCCCC(=O)CCC#N 1458a_100011934036_100000735457 [0,1,0,0,0,1|1,0,1]=4 3906 B12R0.95 CC(=O)NCCCC(=O)CCC#N 1458a_100000194741_100011215226 [0,1,0,0,0,1|1,0,1]=4 3907 B12R0.95 CC(=O)NCCCC(=O)CCCF 1458a_100000194741_100011934791 [0,1,0,0,0,1|1,0,0]=3 3908 B12R0.95 CC(=O)NCCCC(=O)CCCO 1458a_100000194741_100011215043 [0,1,0,0,0,1|1,0,0]=3 3909 B12R0.95 CC(=O)NCCCC(=O)NCCF 11a_100000724931_100000194741 [0,1,0,0,0,1|2,0,0]=4 3910 B12R0.95 CC(=O)NCCCC(=O)NCCF 1626a_100000724931_100000194741 [0,1,0,0,0,1|2,0,0]=4 3911 B12R0.95 CC(=O)NCCCC(=O)NCCF 240690a_100000724931_100000194741 [0,1,0,0,0,1|2,0,0]=4 3912 B12R0.95 CC(=O)NCCCC(=O)NCCF 527a_100000724931_100000194741 [0,1,0,0,0,1|2,0,0]=4 3913 B12R0.95 CC(=O)NCCCC(=O)NCCO 240690a_100000210304_100000194741 [0,1,0,0,0,1|2,0,0]=4 3914 B12R0.95 CC(=O)NCCCC(=O)NCCO 527a_100000210304_100000194741 [0,1,0,0,0,1|2,0,0]=4 3915 B12R0.95 CC(=O)OCCCC(=O)CCC#N 1458a_100011934036_100000042594 [0,1,0,0,0,1|1,0,1]=4 3916 B12R0.95 CC(=O)SCCCC(=O)CCC#N 1458a_100011934036_100000038929 [0,1,0,0,0,1|1,0,1]=4 3917 B12R0.95 CC=CCC(=O)CCCCC(=O)C 1458a_100121576822_100000735457 [0,1,0,0,0,1|1,0,1]=4 3918 B12R0.95 CC=CCC(=O)CCCNC(=O)C 1458a_100000194741_100000070051 [0,1,0,0,0,1|1,0,1]=4 3919 B12R0.95 CC=CCC(=O)CCCOC(=O)C 1458a_100121576822_100000042594 [0,1,0,0,0,1|1,0,1]=4 3920 B12R0.95 CC=CCC(=O)CCCSC(=O)C 1458a_100121576822_100000038929 [0,1,0,0,0,1|1,0,1]=4 3921 B12R0.95 CC=CCC(=O)CCOCC(=O)N 1458a_100121576822_100000076697 [0,1,0,0,0,1|1,0,1]=4 3922 B12R0.95 CC=CCC(=O)CCSCC(=O)N 1458a_100000148550_100000070051 [0,1,0,0,0,1|1,0,1]=4 3923 B12R0.95 CC=CCC(=O)NCCCC(=O)N 240690a_100000739312_100121576822 [0,1,0,0,0,1|1,0,1]=4 3924 B12R0.95 CC=CCC(=O)NCCCC(=O)N 527a_100000739312_100121576822 [0,1,0,0,0,1|1,0,1]=4 3925 B12R0.95 CCC#CC(=O)CCCCC(=O)C 1458a_100011827653_100000735457 [0,1,0,0,0,1|1,0,1]=4 3926 B12R0.95 CCC#CC(=O)CCCOC(=O)C 1458a_100011827653_100000042594 [0,1,0,0,0,1|1,0,1]=4 3927 B12R0.95 CCC#CC(=O)CCCSC(=O)C 1458a_100011827653_100000038929 [0,1,0,0,0,1|1,0,1]=4 3928 B12R0.95 CCC#CC(=O)CCOCC(=O)N 1458a_100011827653_100000076697 [0,1,0,0,0,1|1,0,1]=4 3929 B12R0.95 CCC=CC(=O)CCCCC(=O)C 1458a_100000212282_100000735457 [0,1,0,0,0,1|1,0,1]=4 3930 B12R0.95 CCC=CC(=O)CCCOC(=O)C 1458a_100000212282_100000042594 [0,1,0,0,0,1|1,0,1]=4 3931 B12R0.95 CCC=CC(=O)CCCSC(=O)C 1458a_100000212282_100000038929 [0,1,0,0,0,1|1,0,1]=4 3932 B12R0.95 CCC=CC(=O)CCOCC(=O)N 1458a_100000212282_100000076697 [0,1,0,0,0,1|1,0,1]=4 3933 B12R0.95 CCC=CC(=O)NCCCC(=O)N 240690a_100000739312_100000212282 [0,1,0,0,0,1|1,0,1]=4 3934 B12R0.95 CCCCC(=O)CCCCB(O)O 1458a_100000210183_200009817182 [0,1,0,0,0,1|1,0,1]=4 3935 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,1,0,0,0,1|1,0,0]=3 3936 B12R0.95 CCCCC(=O)CCCN=C(N)N 1458a_100000034108_100000210211 [0,1,0,0,0,1|2,0,0]=4 3937 B12R0.95 CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210211 [0,1,0,0,0,1|1,0,0]=3 3938 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [0,1,0,0,0,1|1,0,0]=3 3939 B12R0.95 CCCCC(=O)CCCOC(=S)C 1458a_100000210183_200135323944 [0,1,0,0,0,1|1,1,0]=4 3940 B12R0.95 CCCCC(=O)CCCSC(=O)C 1458a_100000210183_100000038929 [0,1,0,0,0,1|1,0,0]=3 3941 B12R0.95 CCCCC(=O)CCOCC(=O)N 1458a_100000210183_100000076697 [0,1,0,0,0,1|1,0,0]=3 3942 B12R0.95 CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210211 [0,1,0,0,0,1|1,0,0]=3 3943 B12R0.95 CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210183 [0,1,0,0,0,1|1,0,0]=3 3944 B12R0.95 CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210183 [0,1,0,0,0,1|1,0,0]=3 3945 B12R0.95 CCCCC(=O)NCCCS(=O)C 11a_200000753449_100000210183 [0,1,0,0,0,1|2,0,0]=4 3946 B12R0.95 CCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000210183 [0,1,0,0,0,1|2,0,0]=4 3947 B12R0.95 CCCCC(=O)NCCCS(=O)C 527a_200000753449_100000210183 [0,1,0,0,0,1|2,0,0]=4 3948 B12R0.95 CCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000210183 [0,1,0,0,0,1|2,0,0]=4 3949 B12R0.95 CCCCC(=O)NCCNC(=O)C 527a_100000209853_100000210183 [0,1,0,0,0,1|2,0,0]=4 3950 B12R0.95 CCCCC(=O)NCCNC(=O)N 240690a_100020590234_100000210183 [0,1,0,0,0,1|2,0,0]=4 3951 B12R0.95 CCCCC(=O)NCCNC(=O)N 527a_100020590234_100000210183 [0,1,0,0,0,1|2,0,0]=4 3952 B12R0.95 CCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210183 [0,1,0,0,0,1|2,0,0]=4 3953 B12R0.95 CCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210183 [0,1,0,0,0,1|2,0,0]=4 3954 B12R0.95 CCCCC(=O)NCCOC(=O)C 527a_100000724843_100000210183 [0,1,0,0,0,1|2,0,0]=4 3955 B12R0.95 CCCCC(=O)NCCSC(=O)C 11a_100020647217_100000210183 [0,1,0,0,0,1|2,0,0]=4 3956 B12R0.95 CCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000210183 [0,1,0,0,0,1|2,0,0]=4 3957 B12R0.95 CCCCC(=O)NCCSC(=O)C 527a_100020647217_100000210183 [0,1,0,0,0,1|2,0,0]=4 3958 B12R0.95 CCCNC(=O)CCCN=C(N)N 240690a_100020643023_100000034108 [0,1,0,0,0,1|2,0,0]=4 3959 B12R0.95 CCCNC(=O)CCCNC(=O)C 11a_100020643023_100000194741 [0,1,0,0,0,1|1,0,0]=3 3960 B12R0.95 CCCNC(=O)CCCNC(=O)C 1626a_100020643023_100000194741 [0,1,0,0,0,1|1,0,0]=3 3961 B12R0.95 CCCNC(=O)CCCNC(=O)C 240690a_100020643023_100000194741 [0,1,0,0,0,1|1,0,0]=3 3962 B12R0.95 CCCNC(=O)CCCNC(=O)C 527a_100020643023_100000194741 [0,1,0,0,0,1|1,0,0]=3 3963 B12R0.95 CCCNC(=O)CCSCC(=O)N 11a_100020643023_100000148550 [0,1,0,0,0,1|1,0,0]=3 3964 B12R0.95 CCCNC(=O)CCSCC(=O)N 240690a_100020643023_100000148550 [0,1,0,0,0,1|1,0,0]=3 3965 B12R0.95 CCCNC(=O)CCSCC(=O)N 527a_100020643023_100000148550 [0,1,0,0,0,1|1,0,0]=3 3966 B12R0.95 CCCNC(=O)CNCCC(=O)N 2230a_100000174927_100000744528 [0,1,0,0,0,1|1,0,0]=3 3967 B12R0.95 CCCNC(=O)CNCCC(C)O 2230a_100000174927_100012276601 [0,1,0,0,0,1|1,0,1]=4 3968 B12R0.95 CCCNC(=O)CNCCC(C)O 2230a_200000755665_100000183358 [0,1,0,0,0,1|1,0,1]=4 3969 B12R0.95 CCCNC(=O)CNOCC(=O)O 269956a_100000106656_100000183358 [0,1,0,0,0,1|1,0,0]=3 3970 B12R0.95 CCCNC(=O)COCCC(=O)C 34a_100000759926_100000183358 [0,1,0,0,0,1|1,0,0]=3 3971 B12R0.95 CCCNC(=O)COCCC(=O)C 7a_100000759926_100000183358 [0,1,0,0,0,1|1,0,0]=3 3972 B12R0.95 CCCNC(=O)COCCC(=O)N 34a_100000757172_100000183358 [0,1,0,0,0,1|1,0,0]=3 3973 B12R0.95 CCCNC(=O)COCCC(=O)N 7a_100000757172_100000183358 [0,1,0,0,0,1|1,0,0]=3 3974 B12R0.95 CCCNC(=O)CSCCC(=O)C 62a_100000053229_100000183358 [0,1,0,0,0,1|1,0,0]=3 3975 B12R0.95 CCCNC(=O)CSCCC(=O)C 62a_100000183358_100000053229 [0,1,0,0,0,1|1,0,0]=3 3976 B12R0.95 CCCNC(=O)CSCCC(=O)N 62a_100000183358_100000744528 [0,1,0,0,0,1|1,0,0]=3 3977 B12R0.95 CCCNC(=O)CSCCC(=O)N 62a_100000744528_100000183358 [0,1,0,0,0,1|1,0,0]=3 3978 B12R0.95 CCCNC(=O)CSCCC(C)O 62a_100000183358_100012276601 [0,1,0,0,0,1|1,0,1]=4 3979 B12R0.95 CCCNC(=O)CSCCC(C)O 62a_100012276601_100000183358 [0,1,0,0,0,1|1,0,1]=4 3980 B12R0.95 CCCNC(=O)CSCOC(=O)C 62a_100000076356_100000183358 [0,1,0,0,0,1|2,0,0]=4 3981 B12R0.95 CCCNC(=O)CSCOC(=O)C 62a_100000183358_100000076356 [0,1,0,0,0,1|2,0,0]=4 3982 B12R0.95 CCCNC(=O)NCCCC(=O)N 273464a_100000739312_100020643023 [0,1,0,0,0,1|1,0,0]=3 3983 B12R0.95 CCCNC(=O)NCCCC(=O)N 273464a_100020643023_100000739312 [0,1,0,0,0,1|1,0,0]=3 3984 B12R0.95 CCCNC(=O)NCCCC(=O)N 512a_100000739312_100020643023 [0,1,0,0,0,1|1,0,0]=3 3985 B12R0.95 CCCNC(=O)NCCCC(=O)N 512a_100020643023_100000739312 [0,1,0,0,0,1|1,0,0]=3 3986 B12R0.95 CCCNC(=O)NCCCS(=O)C 2708a_100020643023_200000753449 [0,1,0,0,0,1|2,0,0]=4 3987 B12R0.95 CCCNC(=O)NCCCS(=O)C 2708a_200000753449_100020643023 [0,1,0,0,0,1|2,0,0]=4 3988 B12R0.95 CCCNC(=O)NCCCS(=O)C 273464a_100020643023_200000753449 [0,1,0,0,0,1|2,0,0]=4 3989 B12R0.95 CCCNC(=O)NCCCS(=O)C 273464a_200000753449_100020643023 [0,1,0,0,0,1|2,0,0]=4 3990 B12R0.95 CCCNC(=O)NCCCS(=O)C 512a_100020643023_200000753449 [0,1,0,0,0,1|2,0,0]=4 3991 B12R0.95 CCCNC(=O)NCCCS(=O)C 512a_200000753449_100020643023 [0,1,0,0,0,1|2,0,0]=4 3992 B12R0.95 CCCNC(=O)NCCNC(=O)C 2708a_100000209853_100020643023 [0,1,0,0,0,1|2,0,0]=4 3993 B12R0.95 CCCNC(=O)NCCNC(=O)C 2708a_100020643023_100000209853 [0,1,0,0,0,1|2,0,0]=4 3994 B12R0.95 CCCNC(=O)NCCNC(=O)C 273464a_100000209853_100020643023 [0,1,0,0,0,1|2,0,0]=4 3995 B12R0.95 CCCNC(=O)NCCNC(=O)C 273464a_100020643023_100000209853 [0,1,0,0,0,1|2,0,0]=4 3996 B12R0.95 CCCNC(=O)NCCNC(=O)C 512a_100000209853_100020643023 [0,1,0,0,0,1|2,0,0]=4 3997 B12R0.95 CCCNC(=O)NCCNC(=O)C 512a_100020643023_100000209853 [0,1,0,0,0,1|2,0,0]=4 3998 B12R0.95 CCCNC(=O)NCCNC(=O)N 2708a_100020643023_100020590234 [0,1,0,0,0,1|2,0,0]=4 3999 B12R0.95 CCCNC(=O)NCCNC(=O)N 273464a_100020590234_100020643023 [0,1,0,0,0,1|2,0,0]=4 4000 B12R0.95 CCCNC(=O)NCCNC(=O)N 273464a_100020643023_100020590234 [0,1,0,0,0,1|2,0,0]=4 4001 B12R0.95 CCCNC(=O)NCCNC(=O)N 512a_100020590234_100020643023 [0,1,0,0,0,1|2,0,0]=4 4002 B12R0.95 CCCNC(=O)NCCNC(=O)N 512a_100020643023_100020590234 [0,1,0,0,0,1|2,0,0]=4 4003 B12R0.95 CCCNC(=O)NCCOC(=O)C 2708a_100020643023_100000724843 [0,1,0,0,0,1|2,0,0]=4 4004 B12R0.95 CCCNC(=O)NCCOC(=O)C 273464a_100000724843_100020643023 [0,1,0,0,0,1|2,0,0]=4 4005 B12R0.95 CCCNC(=O)NCCOC(=O)C 273464a_100020643023_100000724843 [0,1,0,0,0,1|2,0,0]=4 4006 B12R0.95 CCCNC(=O)NCCOC(=O)C 512a_100000724843_100020643023 [0,1,0,0,0,1|2,0,0]=4 4007 B12R0.95 CCCNC(=O)NCCOC(=O)C 512a_100020643023_100000724843 [0,1,0,0,0,1|2,0,0]=4 4008 B12R0.95 CCCNC(=O)NCCSC(=O)C 2708a_100020643023_100020647217 [0,1,0,0,0,1|2,0,0]=4 4009 B12R0.95 CCCNC(=O)NCCSC(=O)C 2708a_100020647217_100020643023 [0,1,0,0,0,1|2,0,0]=4 4010 B12R0.95 CCCNC(=O)NCCSC(=O)C 273464a_100020643023_100020647217 [0,1,0,0,0,1|2,0,0]=4 4011 B12R0.95 CCCNC(=O)NCCSC(=O)C 273464a_100020647217_100020643023 [0,1,0,0,0,1|2,0,0]=4 4012 B12R0.95 CCCNC(=O)NCCSC(=O)C 512a_100020643023_100020647217 [0,1,0,0,0,1|2,0,0]=4 4013 B12R0.95 CCCNC(=O)NCCSC(=O)C 512a_100020647217_100020643023 [0,1,0,0,0,1|2,0,0]=4 4014 B12R0.95 CCCOC(=O)CNCCC(C)O 2230a_200000755665_200011215008 [0,1,0,0,0,1|1,0,1]=4 4015 B12R0.95 CCCOC(=O)CNOCC(=O)O 269956a_100000106656_200011215008 [0,1,0,0,0,1|1,0,0]=3 4016 B12R0.95 CCCOC(=O)COCCC(=O)C 34a_100000759926_200011215008 [0,1,0,0,0,1|1,0,0]=3 4017 B12R0.95 CCCOC(=O)COCCC(=O)C 7a_100000759926_200011215008 [0,1,0,0,0,1|1,0,0]=3 4018 B12R0.95 CCCOC(=O)COCCC(=O)N 34a_100000757172_200011215008 [0,1,0,0,0,1|1,0,0]=3 4019 B12R0.95 CCCOC(=O)COCCC(=O)N 7a_100000757172_200011215008 [0,1,0,0,0,1|1,0,0]=3 4020 B12R0.95 CCCOC(=O)CSCCC(=O)C 62a_100000053229_200011215008 [0,1,0,0,0,1|1,0,0]=3 4021 B12R0.95 CCCOC(=O)CSCCC(=O)C 62a_200011215008_100000053229 [0,1,0,0,0,1|1,0,0]=3 4022 B12R0.95 CCCOC(=O)CSCCC(=O)N 62a_100000744528_200011215008 [0,1,0,0,0,1|1,0,0]=3 4023 B12R0.95 CCCOC(=O)CSCCC(=O)N 62a_200011215008_100000744528 [0,1,0,0,0,1|1,0,0]=3 4024 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_100012276601_200011215008 [0,1,0,0,0,1|1,0,1]=4 4025 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_200011215008_100012276601 [0,1,0,0,0,1|1,0,1]=4 4026 B12R0.95 CCCOC(=O)CSCOC(=O)C 62a_100000076356_200011215008 [0,1,0,0,0,1|2,0,0]=4 4027 B12R0.95 CCCOC(=O)CSCOC(=O)C 62a_200011215008_100000076356 [0,1,0,0,0,1|2,0,0]=4 4028 B12R0.95 CCCOC(=O)OCNCC(=O)O 269956a_100016091260_200000139673 [0,1,0,0,0,1|1,0,0]=3 4029 B12R0.95 CCCOC(=O)OCOCC(=O)C 34a_100000211253_200000139673 [0,1,0,0,0,1|2,0,0]=4 4030 B12R0.95 CCCOC(=O)OCSCC(=O)N 62a_100000747473_200000139673 [0,1,0,0,0,1|2,0,0]=4 4031 B12R0.95 CCCOC(=O)OCSCC(=O)[O-] 62a_100020667443_200000139673 [0,1,0,0,0,1|1,0,1]=4 4032 B12R0.95 CCNNC(=O)CCCNC(=O)C 22a_100000756455_100000194741 [0,1,0,0,0,1|2,0,0]=4 4033 B12R0.95 CCNNC(=O)CCSCC(=O)N 22a_100000756455_100000148550 [0,1,0,0,0,1|2,0,0]=4 4034 B12R0.95 CCNNC(=O)NCCCC(=O)N 273464a_100000739312_100000756455 [0,1,0,0,0,1|2,0,0]=4 4035 B12R0.95 CCNNC(=O)NCCCC(=O)N 512a_100000739312_100000756455 [0,1,0,0,0,1|2,0,0]=4 4036 B12R0.95 CCNNC(=O)NCCCC(=O)N 512a_100000756455_100000739312 [0,1,0,0,0,1|2,0,0]=4 4037 B12R0.95 CCOCC(=O)CCCCB(O)O 1458a_100000211967_200009817182 [0,1,0,0,0,1|1,0,1]=4 4038 B12R0.95 CCOCC(=O)CCCCC(=O)C 1458a_100000211967_100000735457 [0,1,0,0,0,1|1,0,0]=3 4039 B12R0.95 CCOCC(=O)CCCOC(=O)C 1458a_100000211967_100000042594 [0,1,0,0,0,1|1,0,0]=3 4040 B12R0.95 CCOCC(=O)CCCOC(=S)C 1458a_100000211967_200135323944 [0,1,0,0,0,1|1,1,0]=4 4041 B12R0.95 CCOCC(=O)CCCSC(=O)C 1458a_100000211967_100000038929 [0,1,0,0,0,1|1,0,0]=3 4042 B12R0.95 CCOCC(=O)CCOCC(=O)N 1458a_100000211967_100000076697 [0,1,0,0,0,1|1,0,0]=3 4043 B12R0.95 CCOCC(=O)NCCCC(=O)N 240690a_100000739312_100000211967 [0,1,0,0,0,1|1,0,0]=3 4044 B12R0.95 CCOCC(=O)NCCCC(=O)N 527a_100000739312_100000211967 [0,1,0,0,0,1|1,0,0]=3 4045 B12R0.95 CCOCC(=O)NCCCS(=O)C 11a_200000753449_100000211967 [0,1,0,0,0,1|2,0,0]=4 4046 B12R0.95 CCOCC(=O)NCCCS(=O)C 240690a_200000753449_100000211967 [0,1,0,0,0,1|2,0,0]=4 4047 B12R0.95 CCOCC(=O)NCCCS(=O)C 527a_200000753449_100000211967 [0,1,0,0,0,1|2,0,0]=4 4048 B12R0.95 CCOCC(=O)NCCNC(=O)C 240690a_100000209853_100000211967 [0,1,0,0,0,1|2,0,0]=4 4049 B12R0.95 CCOCC(=O)NCCNC(=O)C 527a_100000209853_100000211967 [0,1,0,0,0,1|2,0,0]=4 4050 B12R0.95 CCOCC(=O)NCCNC(=O)N 240690a_100020590234_100000211967 [0,1,0,0,0,1|2,0,0]=4 4051 B12R0.95 CCOCC(=O)NCCNC(=O)N 527a_100020590234_100000211967 [0,1,0,0,0,1|2,0,0]=4 4052 B12R0.95 CCOCC(=O)NCCOC(=O)C 11a_100000724843_100000211967 [0,1,0,0,0,1|2,0,0]=4 4053 B12R0.95 CCOCC(=O)NCCOC(=O)C 240690a_100000724843_100000211967 [0,1,0,0,0,1|2,0,0]=4 4054 B12R0.95 CCOCC(=O)NCCOC(=O)C 527a_100000724843_100000211967 [0,1,0,0,0,1|2,0,0]=4 4055 B12R0.95 CCOCC(=O)NCCSC(=O)C 11a_100020647217_100000211967 [0,1,0,0,0,1|2,0,0]=4 4056 B12R0.95 CCOCC(=O)NCCSC(=O)C 240690a_100020647217_100000211967 [0,1,0,0,0,1|2,0,0]=4 4057 B12R0.95 CCOCC(=O)NCCSC(=O)C 527a_100020647217_100000211967 [0,1,0,0,0,1|2,0,0]=4 4058 B12R0.95 CCSCC(=O)CCCCB(O)O 1458a_100000230394_200009817182 [0,1,0,0,0,1|1,0,1]=4 4059 B12R0.95 CCSCC(=O)CCCCC(=O)C 1458a_100000230394_100000735457 [0,1,0,0,0,1|1,0,0]=3 4060 B12R0.95 CCSCC(=O)CCCOC(=O)C 1458a_100000230394_100000042594 [0,1,0,0,0,1|1,0,0]=3 4061 B12R0.95 CCSCC(=O)CCCOC(=S)C 1458a_100000230394_200135323944 [0,1,0,0,0,1|1,1,0]=4 4062 B12R0.95 CCSCC(=O)CCCSC(=O)C 1458a_100000230394_100000038929 [0,1,0,0,0,1|1,0,0]=3 4063 B12R0.95 CCSCC(=O)CCOCC(=O)N 1458a_100000230394_100000076697 [0,1,0,0,0,1|1,0,0]=3 4064 B12R0.95 CCSCC(=O)NCCCC(=O)N 240690a_100000739312_100000230394 [0,1,0,0,0,1|1,0,0]=3 4065 B12R0.95 CCSCC(=O)NCCCC(=O)N 527a_100000739312_100000230394 [0,1,0,0,0,1|1,0,0]=3 4066 B12R0.95 CCSCC(=O)NCCCS(=O)C 11a_200000753449_100000230394 [0,1,0,0,0,1|2,0,0]=4 4067 B12R0.95 CCSCC(=O)NCCCS(=O)C 240690a_200000753449_100000230394 [0,1,0,0,0,1|2,0,0]=4 4068 B12R0.95 CCSCC(=O)NCCCS(=O)C 527a_200000753449_100000230394 [0,1,0,0,0,1|2,0,0]=4 4069 B12R0.95 CCSCC(=O)NCCNC(=O)C 240690a_100000209853_100000230394 [0,1,0,0,0,1|2,0,0]=4 4070 B12R0.95 CCSCC(=O)NCCNC(=O)C 527a_100000209853_100000230394 [0,1,0,0,0,1|2,0,0]=4 4071 B12R0.95 CCSCC(=O)NCCNC(=O)N 240690a_100020590234_100000230394 [0,1,0,0,0,1|2,0,0]=4 4072 B12R0.95 CCSCC(=O)NCCNC(=O)N 527a_100020590234_100000230394 [0,1,0,0,0,1|2,0,0]=4 4073 B12R0.95 CCSCC(=O)NCCOC(=O)C 11a_100000724843_100000230394 [0,1,0,0,0,1|2,0,0]=4 4074 B12R0.95 CCSCC(=O)NCCOC(=O)C 240690a_100000724843_100000230394 [0,1,0,0,0,1|2,0,0]=4 4075 B12R0.95 CCSCC(=O)NCCOC(=O)C 527a_100000724843_100000230394 [0,1,0,0,0,1|2,0,0]=4 4076 B12R0.95 CCSCC(=O)NCCSC(=O)C 11a_100020647217_100000230394 [0,1,0,0,0,1|2,0,0]=4 4077 B12R0.95 CCSCC(=O)NCCSC(=O)C 240690a_100020647217_100000230394 [0,1,0,0,0,1|2,0,0]=4 4078 B12R0.95 CCSCC(=O)NCCSC(=O)C 527a_100020647217_100000230394 [0,1,0,0,0,1|2,0,0]=4 4079 B12R0.95 COCCC(=O)CCCCB(O)O 1458a_100000749529_200009817182 [0,1,0,0,0,1|1,0,1]=4 4080 B12R0.95 COCCC(=O)CCCCC(=O)C 1458a_100000749529_100000735457 [0,1,0,0,0,1|1,0,0]=3 4081 B12R0.95 COCCC(=O)CCCN=C(N)N 1458a_100000034108_100000233755 [0,1,0,0,0,1|2,0,0]=4 4082 B12R0.95 COCCC(=O)CCCNC(=O)C 1458a_100000194741_100000233755 [0,1,0,0,0,1|1,0,0]=3 4083 B12R0.95 COCCC(=O)CCCOC(=O)C 1458a_100000749529_100000042594 [0,1,0,0,0,1|1,0,0]=3 4084 B12R0.95 COCCC(=O)CCCOC(=S)C 1458a_100000749529_200135323944 [0,1,0,0,0,1|1,1,0]=4 4085 B12R0.95 COCCC(=O)CCCSC(=O)C 1458a_100000749529_100000038929 [0,1,0,0,0,1|1,0,0]=3 4086 B12R0.95 COCCC(=O)CCOCC(=O)N 1458a_100000749529_100000076697 [0,1,0,0,0,1|1,0,0]=3 4087 B12R0.95 COCCC(=O)CCSCC(=O)N 1458a_100000148550_100000233755 [0,1,0,0,0,1|1,0,0]=3 4088 B12R0.95 COCCC(=O)NCCCC(=O)N 240690a_100000739312_100000749529 [0,1,0,0,0,1|1,0,0]=3 4089 B12R0.95 COCCC(=O)NCCCC(=O)N 527a_100000739312_100000749529 [0,1,0,0,0,1|1,0,0]=3 4090 B12R0.95 COCCC(=O)NCCCS(=O)C 11a_200000753449_100000749529 [0,1,0,0,0,1|2,0,0]=4 4091 B12R0.95 COCCC(=O)NCCCS(=O)C 240690a_200000753449_100000749529 [0,1,0,0,0,1|2,0,0]=4 4092 B12R0.95 COCCC(=O)NCCCS(=O)C 527a_200000753449_100000749529 [0,1,0,0,0,1|2,0,0]=4 4093 B12R0.95 COCCC(=O)NCCNC(=O)C 240690a_100000209853_100000749529 [0,1,0,0,0,1|2,0,0]=4 4094 B12R0.95 COCCC(=O)NCCNC(=O)C 527a_100000209853_100000749529 [0,1,0,0,0,1|2,0,0]=4 4095 B12R0.95 COCCC(=O)NCCNC(=O)N 240690a_100020590234_100000749529 [0,1,0,0,0,1|2,0,0]=4 4096 B12R0.95 COCCC(=O)NCCNC(=O)N 527a_100020590234_100000749529 [0,1,0,0,0,1|2,0,0]=4 4097 B12R0.95 COCCC(=O)NCCOC(=O)C 11a_100000724843_100000749529 [0,1,0,0,0,1|2,0,0]=4 4098 B12R0.95 COCCC(=O)NCCOC(=O)C 240690a_100000724843_100000749529 [0,1,0,0,0,1|2,0,0]=4 4099 B12R0.95 COCCC(=O)NCCOC(=O)C 527a_100000724843_100000749529 [0,1,0,0,0,1|2,0,0]=4 4100 B12R0.95 COCCC(=O)NCCSC(=O)C 11a_100020647217_100000749529 [0,1,0,0,0,1|2,0,0]=4 4101 B12R0.95 COCCC(=O)NCCSC(=O)C 240690a_100020647217_100000749529 [0,1,0,0,0,1|2,0,0]=4 4102 B12R0.95 COCCC(=O)NCCSC(=O)C 527a_100020647217_100000749529 [0,1,0,0,0,1|2,0,0]=4 4103 B12R0.95 CSCCC(=O)CCCCB(O)O 1458a_100000174002_200009817182 [0,1,0,0,0,1|1,0,1]=4 4104 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,1,0,0,0,1|1,0,0]=3 4105 B12R0.95 CSCCC(=O)CCCN=C(N)N 1458a_100000034108_100000751147 [0,1,0,0,0,1|2,0,0]=4 4106 B12R0.95 CSCCC(=O)CCCNC(=O)C 1458a_100000194741_100000751147 [0,1,0,0,0,1|1,0,0]=3 4107 B12R0.95 CSCCC(=O)CCCOC(=O)C 1458a_100000174002_100000042594 [0,1,0,0,0,1|1,0,0]=3 4108 B12R0.95 CSCCC(=O)CCCOC(=S)C 1458a_100000174002_200135323944 [0,1,0,0,0,1|1,1,0]=4 4109 B12R0.95 CSCCC(=O)CCCSC(=O)C 1458a_100000174002_100000038929 [0,1,0,0,0,1|1,0,0]=3 4110 B12R0.95 CSCCC(=O)CCOCC(=O)N 1458a_100000174002_100000076697 [0,1,0,0,0,1|1,0,0]=3 4111 B12R0.95 CSCCC(=O)CCSCC(=O)N 1458a_100000148550_100000751147 [0,1,0,0,0,1|1,0,0]=3 4112 B12R0.95 CSCCC(=O)NCCCC(=O)N 240690a_100000739312_100000174002 [0,1,0,0,0,1|1,0,0]=3 4113 B12R0.95 CSCCC(=O)NCCCC(=O)N 527a_100000739312_100000174002 [0,1,0,0,0,1|1,0,0]=3 4114 B12R0.95 CSCCC(=O)NCCCS(=O)C 11a_200000753449_100000174002 [0,1,0,0,0,1|2,0,0]=4 4115 B12R0.95 CSCCC(=O)NCCCS(=O)C 240690a_200000753449_100000174002 [0,1,0,0,0,1|2,0,0]=4 4116 B12R0.95 CSCCC(=O)NCCCS(=O)C 527a_200000753449_100000174002 [0,1,0,0,0,1|2,0,0]=4 4117 B12R0.95 CSCCC(=O)NCCNC(=O)C 240690a_100000209853_100000174002 [0,1,0,0,0,1|2,0,0]=4 4118 B12R0.95 CSCCC(=O)NCCNC(=O)C 527a_100000209853_100000174002 [0,1,0,0,0,1|2,0,0]=4 4119 B12R0.95 CSCCC(=O)NCCNC(=O)N 240690a_100020590234_100000174002 [0,1,0,0,0,1|2,0,0]=4 4120 B12R0.95 CSCCC(=O)NCCNC(=O)N 527a_100020590234_100000174002 [0,1,0,0,0,1|2,0,0]=4 4121 B12R0.95 CSCCC(=O)NCCOC(=O)C 11a_100000724843_100000174002 [0,1,0,0,0,1|2,0,0]=4 4122 B12R0.95 CSCCC(=O)NCCOC(=O)C 240690a_100000724843_100000174002 [0,1,0,0,0,1|2,0,0]=4 4123 B12R0.95 CSCCC(=O)NCCOC(=O)C 527a_100000724843_100000174002 [0,1,0,0,0,1|2,0,0]=4 4124 B12R0.95 CSCCC(=O)NCCSC(=O)C 11a_100020647217_100000174002 [0,1,0,0,0,1|2,0,0]=4 4125 B12R0.95 CSCCC(=O)NCCSC(=O)C 240690a_100020647217_100000174002 [0,1,0,0,0,1|2,0,0]=4 4126 B12R0.95 CSCCC(=O)NCCSC(=O)C 527a_100020647217_100000174002 [0,1,0,0,0,1|2,0,0]=4 4127 B12R0.95 N#CCCC(=O)CCOCC(=O)N 1458a_100011934036_100000076697 [0,1,0,0,0,1|1,0,1]=4 4128 B12R0.95 N#CCCC(=O)CCSCC(=O)N 1458a_100000148550_100011215226 [0,1,0,0,0,1|1,0,1]=4 4129 B12R0.95 N#CCCC(=O)NCCCC(=O)N 240690a_100000739312_100011934036 [0,1,0,0,0,1|1,0,1]=4 4130 B12R0.95 N#CCCC(=O)NCCCC(=O)N 527a_100000739312_100011934036 [0,1,0,0,0,1|1,0,1]=4 4131 B12R0.95 NC(=NCCCC(=O)CCCF)N 1458a_100000034108_100011934791 [0,1,0,0,0,1|2,0,0]=4 4132 B12R0.95 NC(=NCCCC(=O)CCCO)N 1458a_100000034108_100011215043 [0,1,0,0,0,1|2,0,0]=4 4133 B12R0.95 NC(=O)CCCNC(=O)NCCF 273464a_100000724931_100000739312 [0,1,0,0,0,1|2,0,0]=4 4134 B12R0.95 NC(=O)CCCNC(=O)NCCF 273464a_100000739312_100000724931 [0,1,0,0,0,1|2,0,0]=4 4135 B12R0.95 NC(=O)CCCNC(=O)NCCF 512a_100000739312_100000724931 [0,1,0,0,0,1|2,0,0]=4 4136 B12R0.95 NC(=O)CCCNC(=O)NCCO 273464a_100000210304_100000739312 [0,1,0,0,0,1|2,0,0]=4 4137 B12R0.95 NC(=O)CCCNC(=O)NCCO 273464a_100000739312_100000210304 [0,1,0,0,0,1|2,0,0]=4 4138 B12R0.95 NC(=O)CCCNC(=O)NCCO 512a_100000739312_100000210304 [0,1,0,0,0,1|2,0,0]=4 4139 B12R0.95 NC(=O)CCNCC(=O)NCCF 2230a_100000725713_100000744528 [0,1,0,0,0,1|2,0,0]=4 4140 B12R0.95 NC(=O)CSCCC(=O)CCCF 1458a_100000148550_100011934791 [0,1,0,0,0,1|1,0,0]=3 4141 B12R0.95 NC(=O)CSCCC(=O)CCCO 1458a_100000148550_100011215043 [0,1,0,0,0,1|1,0,0]=3 4142 B12R0.95 NC(=O)CSCCC(=O)NCCF 11a_100000724931_100000148550 [0,1,0,0,0,1|2,0,0]=4 4143 B12R0.95 NC(=O)CSCCC(=O)NCCF 240690a_100000724931_100000148550 [0,1,0,0,0,1|2,0,0]=4 4144 B12R0.95 NC(=O)CSCCC(=O)NCCF 527a_100000724931_100000148550 [0,1,0,0,0,1|2,0,0]=4 4145 B12R0.95 NC(=O)CSCCC(=O)NCCO 240690a_100000210304_100000148550 [0,1,0,0,0,1|2,0,0]=4 4146 B12R0.95 NC(=O)CSCCC(=O)NCCO 527a_100000210304_100000148550 [0,1,0,0,0,1|2,0,0]=4 4147 B12R0.172 CCCS(=O)(=O)NCCCC(=O)N 270084a_100000739312_100000211391 [0,1,0,0,0,1|2,0,0]=4 4148 B12R0.172 CCCS(=O)(=O)NCCCC(=O)N 274078a_100000739312_100000211391 [0,1,0,0,0,1|2,0,0]=4 4149 B12R0.172 CCCS(=O)(=O)NCCCC(=O)N 40a_100000739312_100000054278 [0,1,0,0,0,1|2,0,0]=4 4150 B12R0.270 C=C(C)CC(=O)CCCNC(=O)C 1458a_100000194741_100000748629 [0,1,0,0,0,1|1,0,1]=4 4151 B12R0.270 C=C(C)CC(=O)CCSCC(=O)N 1458a_100000148550_100000748629 [0,1,0,0,0,1|1,0,1]=4 4152 B12R0.270 CC(=O)CCCCC(=O)CC(C)C 1458a_100000210554_100000735457 [0,1,0,0,0,1|1,0,0]=3 4153 B12R0.270 CC(=O)CCCCC(=O)CN(C)C 1458a_100000750896_100000735457 [0,1,0,0,0,1|2,0,0]=4 4154 B12R0.270 CC(=O)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000735457 [0,1,0,0,0,1|1,0,0]=3 4155 B12R0.270 CC(=O)CCCCC(=O)C[S+](C)C 1458a_200159257847_100000735457 [0,1,0,0,0,1|2,0,0]=4 4156 B12R0.270 CC(=O)CCOCC(=O)NC(C)C 34a_100000759926_100000183996 [0,1,0,0,0,1|2,0,0]=4 4157 B12R0.270 CC(=O)CCOCC(=O)NC(C)C 7a_100000759926_100000183996 [0,1,0,0,0,1|2,0,0]=4 4158 B12R0.270 CC(=O)CCOCC(=O)OC(C)C 34a_100000759926_100011215430 [0,1,0,0,0,1|2,0,0]=4 4159 B12R0.270 CC(=O)CCOCC(=O)OC(C)C 7a_100000759926_100011215430 [0,1,0,0,0,1|2,0,0]=4 4160 B12R0.270 CC(=O)CCSCC(=O)NC(C)C 62a_100000053229_100000183996 [0,1,0,0,0,1|2,0,0]=4 4161 B12R0.270 CC(=O)CCSCC(=O)NC(C)C 62a_100000183996_100000053229 [0,1,0,0,0,1|2,0,0]=4 4162 B12R0.270 CC(=O)CCSCC(=O)OC(C)C 62a_100000053229_100011215430 [0,1,0,0,0,1|2,0,0]=4 4163 B12R0.270 CC(=O)CCSCC(=O)OC(C)C 62a_100011215430_100000053229 [0,1,0,0,0,1|2,0,0]=4 4164 B12R0.270 CC(=O)NCCCC(=O)CC(C)C 1458a_100000194741_100000210624 [0,1,0,0,0,1|1,0,0]=3 4165 B12R0.270 CC(=O)NCCCC(=O)CC(C)O 1458a_100000194741_100011218427 [0,1,0,0,0,1|1,0,0]=3 4166 B12R0.270 CC(=O)NCCCC(=O)CC(F)F 1458a_100000194741_100011934356 [0,1,0,0,0,1|2,0,0]=4 4167 B12R0.270 CC(=O)NCCCC(=O)NC(C)C 11a_100138425928_100000194741 [0,1,0,0,0,1|2,0,0]=4 4168 B12R0.270 CC(=O)NCCCC(=O)NC(C)C 1626a_100138425928_100000194741 [0,1,0,0,0,1|2,0,0]=4 4169 B12R0.270 CC(=O)NCCCC(=O)NC(C)C 240690a_100138425928_100000194741 [0,1,0,0,0,1|2,0,0]=4 4170 B12R0.270 CC(=O)NCCCC(=O)NC(C)C 527a_100138425928_100000194741 [0,1,0,0,0,1|2,0,0]=4 4171 B12R0.270 CC(=O)NCCNC(=O)CC(C)C 240690a_100000209853_100000210554 [0,1,0,0,0,1|2,0,0]=4 4172 B12R0.270 CC(=O)NCCNC(=O)CC(C)C 527a_100000209853_100000210554 [0,1,0,0,0,1|2,0,0]=4 4173 B12R0.270 CC(=O)NCCNC(=O)C[C@@H](C)O 240690a_100000209853_100011933948 [0,1,0,0,0,1|2,0,0]=4 4174 B12R0.270 CC(=O)OCCCC(=O)CC(C)C 1458a_100000210554_100000042594 [0,1,0,0,0,1|1,0,0]=3 4175 B12R0.270 CC(=O)OCCCC(=O)CN(C)C 1458a_100000750896_100000042594 [0,1,0,0,0,1|2,0,0]=4 4176 B12R0.270 CC(=O)OCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000042594 [0,1,0,0,0,1|1,0,0]=3 4177 B12R0.270 CC(=O)OCCCC(=O)C[S+](C)C 1458a_200159257847_100000042594 [0,1,0,0,0,1|2,0,0]=4 4178 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 11a_100000724843_100000210554 [0,1,0,0,0,1|2,0,0]=4 4179 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 240690a_100000724843_100000210554 [0,1,0,0,0,1|2,0,0]=4 4180 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 527a_100000724843_100000210554 [0,1,0,0,0,1|2,0,0]=4 4181 B12R0.270 CC(=O)OCCNC(=O)C[C@@H](C)O 240690a_100000724843_100011933948 [0,1,0,0,0,1|2,0,0]=4 4182 B12R0.270 CC(=O)SCCCC(=O)CC(C)C 1458a_100000210554_100000038929 [0,1,0,0,0,1|1,0,0]=3 4183 B12R0.270 CC(=O)SCCCC(=O)CN(C)C 1458a_100000750896_100000038929 [0,1,0,0,0,1|2,0,0]=4 4184 B12R0.270 CC(=O)SCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000038929 [0,1,0,0,0,1|1,0,0]=3 4185 B12R0.270 CC(=O)SCCCC(=O)C[S+](C)C 1458a_200159257847_100000038929 [0,1,0,0,0,1|2,0,0]=4 4186 B12R0.270 CC(=O)SCCNC(=O)CC(C)C 11a_100020647217_100000210554 [0,1,0,0,0,1|2,0,0]=4 4187 B12R0.270 CC(=O)SCCNC(=O)CC(C)C 240690a_100020647217_100000210554 [0,1,0,0,0,1|2,0,0]=4 4188 B12R0.270 CC(=O)SCCNC(=O)CC(C)C 527a_100020647217_100000210554 [0,1,0,0,0,1|2,0,0]=4 4189 B12R0.270 CC(=O)SCCNC(=O)C[C@@H](C)O 240690a_100020647217_100011933948 [0,1,0,0,0,1|2,0,0]=4 4190 B12R0.270 CC(=S)OCCCC(=O)CC(C)C 1458a_100000210554_200135323944 [0,1,0,0,0,1|1,1,0]=4 4191 B12R0.270 CC(=S)OCCCC(=O)C[C@@H](C)O 1458a_100011933948_200135323944 [0,1,0,0,0,1|1,1,0]=4 4192 B12R0.270 CC(C)CC(=O)CCCCB(O)O 1458a_100000210554_200009817182 [0,1,0,0,0,1|1,0,1]=4 4193 B12R0.270 CC(C)CC(=O)CCCN=C(N)N 1458a_100000034108_100000210624 [0,1,0,0,0,1|2,0,0]=4 4194 B12R0.270 CC(C)CC(=O)CCOCC(=O)N 1458a_100000210554_100000076697 [0,1,0,0,0,1|1,0,0]=3 4195 B12R0.270 CC(C)CC(=O)CCSCC(=O)N 1458a_100000148550_100000210624 [0,1,0,0,0,1|1,0,0]=3 4196 B12R0.270 CC(C)CC(=O)NCCCC(=O)N 240690a_100000739312_100000210554 [0,1,0,0,0,1|1,0,0]=3 4197 B12R0.270 CC(C)CC(=O)NCCCC(=O)N 527a_100000739312_100000210554 [0,1,0,0,0,1|1,0,0]=3 4198 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 11a_200000753449_100000210554 [0,1,0,0,0,1|2,0,0]=4 4199 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 240690a_200000753449_100000210554 [0,1,0,0,0,1|2,0,0]=4 4200 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 527a_200000753449_100000210554 [0,1,0,0,0,1|2,0,0]=4 4201 B12R0.270 CC(C)CC(=O)NCCNC(=O)N 240690a_100020590234_100000210554 [0,1,0,0,0,1|2,0,0]=4 4202 B12R0.270 CC(C)CC(=O)NCCNC(=O)N 527a_100020590234_100000210554 [0,1,0,0,0,1|2,0,0]=4 4203 B12R0.270 CC(C)NC(=O)CCNCC(=O)N 2230a_100000711301_100000737564 [0,1,0,0,0,1|2,0,0]=4 4204 B12R0.270 CC(C)NC(=O)CCNCC(=O)O 269956a_100016091260_100000737564 [0,1,0,0,0,1|1,0,0]=3 4205 B12R0.270 CC(C)NC(=O)CCSCC(=O)N 11a_100138425928_100000148550 [0,1,0,0,0,1|2,0,0]=4 4206 B12R0.270 CC(C)NC(=O)CCSCC(=O)N 240690a_100138425928_100000148550 [0,1,0,0,0,1|2,0,0]=4 4207 B12R0.270 CC(C)NC(=O)CCSCC(=O)N 527a_100138425928_100000148550 [0,1,0,0,0,1|2,0,0]=4 4208 B12R0.270 CC(C)NC(=O)CCSCC(=O)N 62a_100000737564_100000747473 [0,1,0,0,0,1|2,0,0]=4 4209 B12R0.270 CC(C)NC(=O)CCSCC(=O)N 62a_100000747473_100000737564 [0,1,0,0,0,1|2,0,0]=4 4210 B12R0.270 CC(C)NC(=O)CCSCC(=O)[O-] 62a_100000737564_100020667443 [0,1,0,0,0,1|1,0,1]=4 4211 B12R0.270 CC(C)NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737564 [0,1,0,0,0,1|1,0,1]=4 4212 B12R0.270 CC(C)NC(=O)CNCCC(=O)N 2230a_100000168517_100000744528 [0,1,0,0,0,1|2,0,0]=4 4213 B12R0.270 CC(C)NC(=O)CNOCC(=O)O 269956a_100000106656_100000183996 [0,1,0,0,0,1|2,0,0]=4 4214 B12R0.270 CC(C)NC(=O)COCCC(=O)N 34a_100000757172_100000183996 [0,1,0,0,0,1|2,0,0]=4 4215 B12R0.270 CC(C)NC(=O)COCCC(=O)N 7a_100000757172_100000183996 [0,1,0,0,0,1|2,0,0]=4 4216 B12R0.270 CC(C)NC(=O)CSCCC(=O)N 62a_100000183996_100000744528 [0,1,0,0,0,1|2,0,0]=4 4217 B12R0.270 CC(C)NC(=O)CSCCC(=O)N 62a_100000744528_100000183996 [0,1,0,0,0,1|2,0,0]=4 4218 B12R0.270 CC(C)NC(=O)NCCCC(=O)N 273464a_100138425928_100000739312 [0,1,0,0,0,1|2,0,0]=4 4219 B12R0.270 CC(C)NC(=O)NCCCC(=O)N 512a_100000739312_100138425928 [0,1,0,0,0,1|2,0,0]=4 4220 B12R0.270 CC(C)NC(=O)NCCCC(=O)N 512a_100138425928_100000739312 [0,1,0,0,0,1|2,0,0]=4 4221 B12R0.270 CC(C)OC(=O)CCNCC(=O)N 2230a_100000711301_100000760027 [0,1,0,0,0,1|2,0,0]=4 4222 B12R0.270 CC(C)OC(=O)CCNCC(=O)O 269956a_100016091260_100000760027 [0,1,0,0,0,1|1,0,0]=3 4223 B12R0.270 CC(C)OC(=O)CCSCC(=O)N 62a_100000747473_100000760027 [0,1,0,0,0,1|2,0,0]=4 4224 B12R0.270 CC(C)OC(=O)CCSCC(=O)N 62a_100000760027_100000747473 [0,1,0,0,0,1|2,0,0]=4 4225 B12R0.270 CC(C)OC(=O)CCSCC(=O)[O-] 62a_100000760027_100020667443 [0,1,0,0,0,1|1,0,1]=4 4226 B12R0.270 CC(C)OC(=O)CCSCC(=O)[O-] 62a_100020667443_100000760027 [0,1,0,0,0,1|1,0,1]=4 4227 B12R0.270 CC(C)OC(=O)CNOCC(=O)O 269956a_100000106656_100011215430 [0,1,0,0,0,1|2,0,0]=4 4228 B12R0.270 CC(C)OC(=O)COCCC(=O)N 34a_100000757172_100011215430 [0,1,0,0,0,1|2,0,0]=4 4229 B12R0.270 CC(C)OC(=O)COCCC(=O)N 7a_100000757172_100011215430 [0,1,0,0,0,1|2,0,0]=4 4230 B12R0.270 CC(C)OC(=O)CSCCC(=O)N 62a_100000744528_100011215430 [0,1,0,0,0,1|2,0,0]=4 4231 B12R0.270 CC(C)OC(=O)CSCCC(=O)N 62a_100011215430_100000744528 [0,1,0,0,0,1|2,0,0]=4 4232 B12R0.270 CC(O)CC(=O)CCCN=C(N)N 1458a_100000034108_100011218427 [0,1,0,0,0,1|2,0,0]=4 4233 B12R0.270 CC(O)CC(=O)CCSCC(=O)N 1458a_100000148550_100011218427 [0,1,0,0,0,1|1,0,0]=3 4234 B12R0.270 CN(C)CC(=O)CCOCC(=O)N 1458a_100000750896_100000076697 [0,1,0,0,0,1|2,0,0]=4 4235 B12R0.270 CN(C)CC(=O)NCCCC(=O)N 240690a_100000739312_100000750896 [0,1,0,0,0,1|2,0,0]=4 4236 B12R0.270 CN(C)CC(=O)NCCCC(=O)N 527a_100000739312_100000750896 [0,1,0,0,0,1|2,0,0]=4 4237 B12R0.270 C[C@@H](O)CC(=O)CCCCB(O)O 1458a_100011933948_200009817182 [0,1,0,0,0,1|1,0,1]=4 4238 B12R0.270 C[C@@H](O)CC(=O)CCOCC(=O)N 1458a_100011933948_100000076697 [0,1,0,0,0,1|1,0,0]=3 4239 B12R0.270 C[C@@H](O)CC(=O)NCCCC(=O)N 240690a_100000739312_100011933948 [0,1,0,0,0,1|1,0,0]=3 4240 B12R0.270 C[C@@H](O)CC(=O)NCCCS(=O)C 240690a_200000753449_100011933948 [0,1,0,0,0,1|2,0,0]=4 4241 B12R0.270 C[C@@H](O)CC(=O)NCCNC(=O)N 240690a_100020590234_100011933948 [0,1,0,0,0,1|2,0,0]=4 4242 B12R0.270 C[S+](C)CC(=O)CCOCC(=O)N 1458a_200159257847_100000076697 [0,1,0,0,0,1|2,0,0]=4 4243 B12R0.270 C[S+](C)CC(=O)NCCCC(=O)N 240690a_100000739312_200159257847 [0,1,0,0,0,1|2,0,0]=4 4244 B12R0.270 C[S+](C)CC(=O)NCCCC(=O)N 527a_100000739312_200159257847 [0,1,0,0,0,1|2,0,0]=4 4245 B12R0.270 NC(=O)CSCCC(=O)CC(F)F 1458a_100000148550_100011934356 [0,1,0,0,0,1|2,0,0]=4 4246 B12R0.272 CCCC(=O)CSC(C)OC(=O)C 62a_100000747444_100009818208 [0,1,0,0,0,1|2,0,0]=4 4247 B12R0.272 CCCC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747444 [0,1,0,0,0,1|2,0,0]=4 4248 B12R0.272 CCCC(=O)OCC(=O)CC(=O)N 1458a_100134613110_100000034017 [0,1,0,0,0,1|1,0,1]=4 4249 B12R0.272 CCCC(=O)OCN(C)CC(=O)N 2230a_100000739694_100000034017 [0,1,0,0,0,1|2,0,0]=4 4250 B12R0.272 CCCC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000034017 [0,1,0,0,0,1|1,0,0]=3 4251 B12R0.272 CCCC(C)NCC(O)CC(=O)O 269956a_100011218706_100000766640 [0,1,0,0,0,1|1,0,1]=4 4252 B12R0.272 CCNC(=O)CCC(=O)CC(=O)N 1458a_100000199579_100000187820 [0,1,0,0,0,1|2,0,0]=4 4253 B12R0.272 CCNC(=O)CCC(=O)CC(=O)[O-] 1458a_100000199579_100020667443 [0,1,0,0,0,1|1,0,1]=4 4254 B12R0.272 CCNC(=O)CCN(C)CC(=O)N 2230a_100000739694_100000737597 [0,1,0,0,0,1|2,0,0]=4 4255 B12R0.272 CCNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737597 [0,1,0,0,0,1|1,0,0]=3 4256 B12R0.272 CCOC(=O)CCC(=O)CC(=O)N 1458a_100000183558_100000187820 [0,1,0,0,0,1|2,0,0]=4 4257 B12R0.272 CCOC(=O)CCC(=O)CC(=O)[O-] 1458a_100000183558_100020667443 [0,1,0,0,0,1|1,0,1]=4 4258 B12R0.272 CCOC(=O)CCN(C)CC(=O)N 2230a_100000739694_100011206558 [0,1,0,0,0,1|2,0,0]=4 4259 B12R0.272 CCOC(=O)CCN(C)CC(=O)N 2230a_100000745921_100000747473 [0,1,0,0,0,1|2,0,0]=4 4260 B12R0.272 CCOC(=O)CCN(C)CC(=O)N 269982a_100000745921_100000187820 [0,1,0,0,0,1|2,0,0]=4 4261 B12R0.272 CCOC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000765890 [0,1,0,0,0,1|1,0,0]=3 4262 B12R0.272 CCOC(=O)CCN(C)CC(=O)[O-] 269982a_100000745921_100020667443 [0,1,0,0,0,1|1,0,1]=4 4263 B12R0.276 C#CC(=O)CCCCC(=O)OCC 1458a_100000211873_100000750268 [0,1,0,0,0,1|2,0,0]=4 4264 B12R0.276 C#CC(=O)CCOCC(=O)OCC 1458a_100000211873_100000088970 [0,1,0,0,0,1|2,0,0]=4 4265 B12R0.276 C#CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000184674 [0,1,0,0,0,1|0,0,2]=4 4266 B12R0.276 C#CCC(=O)CCCCC(=O)OC 1458a_100011220946_100000204269 [0,1,0,0,0,1|0,0,2]=4 4267 B12R0.276 C#CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000184674 [0,1,0,0,0,1|0,0,2]=4 4268 B12R0.276 C#CCC(=O)CCOCC(=O)OC 1458a_100011220946_100000090808 [0,1,0,0,0,1|0,0,2]=4 4269 B12R0.276 C#CCC(=O)NCCCC(=O)OC 188690a_100000184769_100011220946 [0,1,0,0,0,1|0,0,2]=4 4270 B12R0.276 C=CC(=O)CCCCC(=O)OCC 1458a_100000185746_100000750268 [0,1,0,0,0,1|2,0,0]=4 4271 B12R0.276 C=CC(=O)CCOCC(=O)OCC 1458a_100000185746_100000088970 [0,1,0,0,0,1|2,0,0]=4 4272 B12R0.276 C=CC(=O)NCCNC(=O)CCC 11a_114873766552_100000211992 [0,1,0,0,0,1|2,0,0]=4 4273 B12R0.276 C=CC(=O)NCCNC(=O)CCC 1626a_114873766552_100000211992 [0,1,0,0,0,1|2,0,0]=4 4274 B12R0.276 C=CC(=O)NCCNC(=O)CCC 527a_114873766552_100000211992 [0,1,0,0,0,1|2,0,0]=4 4275 B12R0.276 C=CCC(=O)CCCCC(=O)OC 1458a_100000210193_100000204269 [0,1,0,0,0,1|0,0,2]=4 4276 B12R0.276 C=CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210623 [0,1,0,0,0,1|0,0,2]=4 4277 B12R0.276 C=CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210623 [0,1,0,0,0,1|0,0,2]=4 4278 B12R0.276 C=CCC(=O)CCOCC(=O)OC 1458a_100000210193_100000090808 [0,1,0,0,0,1|0,0,2]=4 4279 B12R0.276 C=CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210193 [0,1,0,0,0,1|0,0,2]=4 4280 B12R0.276 CC#CC(=O)CCCCC(=O)OC 1458a_100000763181_100000204269 [0,1,0,0,0,1|0,0,2]=4 4281 B12R0.276 CC#CC(=O)CCOCC(=O)OC 1458a_100000763181_100000090808 [0,1,0,0,0,1|0,0,2]=4 4282 B12R0.276 CC=CC(=O)CCCCC(=O)OC 1458a_100000210699_100000204269 [0,1,0,0,0,1|0,0,2]=4 4283 B12R0.276 CC=CC(=O)CCOCC(=O)OC 1458a_100000210699_100000090808 [0,1,0,0,0,1|0,0,2]=4 4284 B12R0.276 CC=CC(=O)NCCCC(=O)OC 188690a_100000184769_100000210699 [0,1,0,0,0,1|0,0,2]=4 4285 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,1,0,0,0,1|0,0,0]=2 4286 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,1,0,0,0,1|0,0,0]=2 4287 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,1,0,0,0,1|0,0,0]=2 4288 B12R0.276 CCCC(=O)CCOCC(=O)OC 1458a_100000211992_100000090808 [0,1,0,0,0,1|0,0,0]=2 4289 B12R0.276 CCCC(=O)CNCCC(=O)NC 2230a_100000738227_100000747444 [0,1,0,0,0,1|1,0,0]=3 4290 B12R0.276 CCCC(=O)CNCCC(C)CO 2230a_106354213184_100000747444 [0,1,0,0,0,1|1,0,1]=4 4291 B12R0.276 CCCC(=O)COCCC(C)OC 7a_100000764861_100000747444 [0,1,0,0,0,1|1,0,1]=4 4292 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000737683_100000747444 [0,1,0,0,0,1|1,0,0]=3 4293 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000747444_100000737683 [0,1,0,0,0,1|1,0,0]=3 4294 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000204255_100000747444 [0,1,0,0,0,1|0,0,0]=2 4295 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000747444_100000204255 [0,1,0,0,0,1|0,0,0]=2 4296 B12R0.276 CCCC(=O)CSCOC(=O)OC 62a_100000747444_100000139417 [0,1,0,0,0,1|1,0,0]=3 4297 B12R0.276 CCCC(=O)NCCCC(=O)NC 11a_100000740002_100000211992 [0,1,0,0,0,1|1,0,0]=3 4298 B12R0.276 CCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000211992 [0,1,0,0,0,1|1,0,0]=3 4299 B12R0.276 CCCC(=O)NCCCC(=O)NC 527a_100000740002_100000211992 [0,1,0,0,0,1|1,0,0]=3 4300 B12R0.276 CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211992 [0,1,0,0,0,1|0,0,0]=2 4301 B12R0.276 CCCC(=O)NCCNC(=O)CC 11a_100132302217_100000211992 [0,1,0,0,0,1|2,0,0]=4 4302 B12R0.276 CCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000211992 [0,1,0,0,0,1|2,0,0]=4 4303 B12R0.276 CCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000211992 [0,1,0,0,0,1|2,0,0]=4 4304 B12R0.276 CCCC(=O)NCCNC(=O)CC 527a_100132302217_100000211992 [0,1,0,0,0,1|2,0,0]=4 4305 B12R0.276 CCCC(=O)NCCNC(=O)NC 11a_100015205895_100000211992 [0,1,0,0,0,1|2,0,0]=4 4306 B12R0.276 CCCC(=O)NCCNC(=O)NC 240690a_100015205895_100000211992 [0,1,0,0,0,1|2,0,0]=4 4307 B12R0.276 CCCC(=O)NCCNC(=O)NC 527a_100015205895_100000211992 [0,1,0,0,0,1|2,0,0]=4 4308 B12R0.276 CCCC(=O)NN=CCC(=O)OC 4a_100000189770_200011552997 [0,1,0,0,0,1|1,0,1]=4 4309 B12R0.276 CCCC(=O)OCNCC(=O)NC 2230a_100000693194_100000034017 [0,1,0,0,0,1|2,0,0]=4 4310 B12R0.276 CCCC(=O)OCOCC(=O)CC 34a_100000725409_100000034017 [0,1,0,0,0,1|2,0,0]=4 4311 B12R0.276 CCCC(=O)OCOCC(=O)NC 34a_100000750040_100000034017 [0,1,0,0,0,1|2,0,0]=4 4312 B12R0.276 CCCC(=O)OCSCC(=O)CC 62a_100000747405_100000034017 [0,1,0,0,0,1|2,0,0]=4 4313 B12R0.276 CCCC(=O)OCSCC(=O)NC 62a_100000183359_100000034017 [0,1,0,0,0,1|2,0,0]=4 4314 B12R0.276 CCCC(=O)OCSCC(=O)OC 62a_100000747449_100000034017 [0,1,0,0,0,1|1,0,0]=3 4315 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,1,0,0,0,1|1,0,1]=4 4316 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,1,0,0,0,1|1,0,1]=4 4317 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,1,0,0,0,1|1,0,1]=4 4318 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,1,0,0,0,1|1,0,1]=4 4319 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,1,0,0,0,1|1,0,1]=4 4320 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,1,0,0,0,1|1,0,1]=4 4321 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,1,0,0,0,1|1,0,1]=4 4322 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,1,0,0,0,1|1,0,1]=4 4323 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,1,0,0,0,1|1,0,1]=4 4324 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,1,0,0,0,1|1,0,1]=4 4325 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,1,0,0,0,1|1,0,1]=4 4326 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,1,0,0,0,1|2,0,0]=4 4327 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,1,0,0,0,1|2,0,0]=4 4328 B12R0.276 CCCN(C)CCOCC(=O)OC 2230a_100000747261_100000090808 [0,1,0,0,0,1|2,0,0]=4 4329 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,1,0,0,0,1|1,0,1]=4 4330 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,1,0,0,0,1|1,0,1]=4 4331 B12R0.276 CCNC(=O)CCCCC(=O)OC 11a_100015525214_100000695723 [0,1,0,0,0,1|1,0,0]=3 4332 B12R0.276 CCNC(=O)CCCCC(=O)OC 240690a_100015525214_100000695723 [0,1,0,0,0,1|1,0,0]=3 4333 B12R0.276 CCNC(=O)CCCCC(=O)OC 527a_100015525214_100000695723 [0,1,0,0,0,1|1,0,0]=3 4334 B12R0.276 CCNC(=O)CCCNC(=O)OC 11a_100015525214_100000753017 [0,1,0,0,0,1|1,0,0]=3 4335 B12R0.276 CCNC(=O)CCCNC(=O)OC 240690a_100015525214_100000753017 [0,1,0,0,0,1|1,0,0]=3 4336 B12R0.276 CCNC(=O)CCCNC(=O)OC 527a_100015525214_100000753017 [0,1,0,0,0,1|1,0,0]=3 4337 B12R0.276 CCNC(=O)CCNCC(=O)NC 2230a_100000693194_100000737597 [0,1,0,0,0,1|2,0,0]=4 4338 B12R0.276 CCNC(=O)CCNCC(=O)NC 34a_100025743525_100000183359 [0,1,0,0,0,1|2,0,0]=4 4339 B12R0.276 CCNC(=O)CCNCC(=O)OC 34a_100025743525_100000747449 [0,1,0,0,0,1|1,0,0]=3 4340 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000737597_100000747405 [0,1,0,0,0,1|2,0,0]=4 4341 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000747405_100000737597 [0,1,0,0,0,1|2,0,0]=4 4342 B12R0.276 CCNC(=O)CCSCC(=O)NC 62a_100000183359_100000737597 [0,1,0,0,0,1|2,0,0]=4 4343 B12R0.276 CCNC(=O)CCSCC(=O)NC 62a_100000737597_100000183359 [0,1,0,0,0,1|2,0,0]=4 4344 B12R0.276 CCNC(=O)CCSCC(=O)OC 62a_100000737597_100000747449 [0,1,0,0,0,1|1,0,0]=3 4345 B12R0.276 CCNC(=O)CCSCC(=O)OC 62a_100000747449_100000737597 [0,1,0,0,0,1|1,0,0]=3 4346 B12R0.276 CCNC(=O)CNCCC(=O)NC 2230a_100000738227_100000183381 [0,1,0,0,0,1|2,0,0]=4 4347 B12R0.276 CCNC(=O)CNCCC(=O)NC 2230a_100016988866_100000737683 [0,1,0,0,0,1|2,0,0]=4 4348 B12R0.276 CCNC(=O)CNCCC(=O)NC 34a_100000738227_100000183381 [0,1,0,0,0,1|2,0,0]=4 4349 B12R0.276 CCNC(=O)CNCCC(=O)OC 2230a_100016988866_100000204255 [0,1,0,0,0,1|1,0,0]=3 4350 B12R0.276 CCNC(=O)COCCC(=NO)N 34a_100000749954_100000183381 [0,1,0,0,0,1|2,0,0]=4 4351 B12R0.276 CCNC(=O)COCCC(=O)NC 34a_100000754576_100000183381 [0,1,0,0,0,1|2,0,0]=4 4352 B12R0.276 CCNC(=O)CSCCC(=O)NC 62a_100000183381_100000737683 [0,1,0,0,0,1|2,0,0]=4 4353 B12R0.276 CCNC(=O)CSCCC(=O)NC 62a_100000737683_100000183381 [0,1,0,0,0,1|2,0,0]=4 4354 B12R0.276 CCNC(=O)CSCCC(=O)OC 62a_100000183381_100000204255 [0,1,0,0,0,1|1,0,0]=3 4355 B12R0.276 CCNC(=O)CSCCC(=O)OC 62a_100000204255_100000183381 [0,1,0,0,0,1|1,0,0]=3 4356 B12R0.276 CCNC(=O)CSCOC(=O)OC 62a_100000183381_100000139417 [0,1,0,0,0,1|2,0,0]=4 4357 B12R0.276 CCNC(=O)NCCCC(=O)NC 2708a_100000740002_100015525214 [0,1,0,0,0,1|2,0,0]=4 4358 B12R0.276 CCNC(=O)NCCCC(=O)NC 2708a_100015525214_100000740002 [0,1,0,0,0,1|2,0,0]=4 4359 B12R0.276 CCNC(=O)NCCCC(=O)NC 273464a_100000740002_100015525214 [0,1,0,0,0,1|2,0,0]=4 4360 B12R0.276 CCNC(=O)NCCCC(=O)NC 273464a_100015525214_100000740002 [0,1,0,0,0,1|2,0,0]=4 4361 B12R0.276 CCNC(=O)NCCCC(=O)NC 512a_100000740002_100015525214 [0,1,0,0,0,1|2,0,0]=4 4362 B12R0.276 CCNC(=O)NCCCC(=O)NC 512a_100015525214_100000740002 [0,1,0,0,0,1|2,0,0]=4 4363 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,1,0,0,0,1|2,0,0]=4 4364 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,1,0,0,0,1|2,0,0]=4 4365 B12R0.276 CCOC(=O)CCCCC(=O)CF 1458a_100011217402_100015361967 [0,1,0,0,0,1|2,0,0]=4 4366 B12R0.276 CCOC(=O)CCCCC(=O)CO 1458a_100000210174_100000750268 [0,1,0,0,0,1|1,0,0]=3 4367 B12R0.276 CCOC(=O)CCCCC(=O)NC 11a_106832991635_100011217402 [0,1,0,0,0,1|2,0,0]=4 4368 B12R0.276 CCOC(=O)CCCCC(=O)NC 1626a_100102657272_100011217402 [0,1,0,0,0,1|2,0,0]=4 4369 B12R0.276 CCOC(=O)CCCCC(=O)NC 240690a_100102657272_100011217402 [0,1,0,0,0,1|2,0,0]=4 4370 B12R0.276 CCOC(=O)CCCCC(=O)NC 527a_100102657272_100011217402 [0,1,0,0,0,1|2,0,0]=4 4371 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [0,1,0,0,0,1|2,0,0]=4 4372 B12R0.276 CCOC(=O)CCCNC(=O)CO 188690a_100000211256_100000210174 [0,1,0,0,0,1|1,0,0]=3 4373 B12R0.276 CCOC(=O)CCNCC(=O)NC 2230a_100000693194_100011206558 [0,1,0,0,0,1|2,0,0]=4 4374 B12R0.276 CCOC(=O)CCOCC(=O)CC 34a_100000725409_100000765890 [0,1,0,0,0,1|2,0,0]=4 4375 B12R0.276 CCOC(=O)CCOCC(=O)NC 34a_100000750040_100000765890 [0,1,0,0,0,1|2,0,0]=4 4376 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000747405_100000765890 [0,1,0,0,0,1|2,0,0]=4 4377 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000765890_100000747405 [0,1,0,0,0,1|2,0,0]=4 4378 B12R0.276 CCOC(=O)CCSCC(=O)NC 62a_100000183359_100000765890 [0,1,0,0,0,1|2,0,0]=4 4379 B12R0.276 CCOC(=O)CCSCC(=O)NC 62a_100000765890_100000183359 [0,1,0,0,0,1|2,0,0]=4 4380 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000747449_100000765890 [0,1,0,0,0,1|1,0,0]=3 4381 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000765890_100000747449 [0,1,0,0,0,1|1,0,0]=3 4382 B12R0.276 CCOC(=O)CNCCC(=O)NC 2230a_100000738227_100000188475 [0,1,0,0,0,1|2,0,0]=4 4383 B12R0.276 CCOC(=O)CNCCC(=O)NC 34a_100000738227_100000188475 [0,1,0,0,0,1|2,0,0]=4 4384 B12R0.276 CCOC(=O)COCCC(=NO)N 34a_100000749954_100000188475 [0,1,0,0,0,1|2,0,0]=4 4385 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [0,1,0,0,0,1|2,0,0]=4 4386 B12R0.276 CCOC(=O)COCCC(=O)CO 1458a_100000210174_100000088970 [0,1,0,0,0,1|1,0,0]=3 4387 B12R0.276 CCOC(=O)COCCC(=O)NC 34a_100000754576_100000188475 [0,1,0,0,0,1|2,0,0]=4 4388 B12R0.276 CCOC(=O)CSCCC(=O)NC 62a_100000188475_100000737683 [0,1,0,0,0,1|2,0,0]=4 4389 B12R0.276 CCOC(=O)CSCCC(=O)NC 62a_100000737683_100000188475 [0,1,0,0,0,1|2,0,0]=4 4390 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000188475_100000204255 [0,1,0,0,0,1|1,0,0]=3 4391 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000204255_100000188475 [0,1,0,0,0,1|1,0,0]=3 4392 B12R0.276 CCOC(=O)CSCOC(=O)OC 62a_100000188475_100000139417 [0,1,0,0,0,1|2,0,0]=4 4393 B12R0.276 CCOC(=O)OCSCC(=O)OC 62a_100000747449_100000075025 [0,1,0,0,0,1|2,0,0]=4 4394 B12R0.276 CNC(=O)CCCNC(=O)CCO 240690a_100000740002_100011216618 [0,1,0,0,0,1|2,0,0]=4 4395 B12R0.276 CNC(=O)CCCNC(=O)COC 11a_100000740002_100000210968 [0,1,0,0,0,1|2,0,0]=4 4396 B12R0.276 CNC(=O)CCCNC(=O)COC 240690a_100000740002_100000210968 [0,1,0,0,0,1|2,0,0]=4 4397 B12R0.276 CNC(=O)CCCNC(=O)COC 527a_100000740002_100000210968 [0,1,0,0,0,1|2,0,0]=4 4398 B12R0.276 CNC(=O)CCCNC(=O)CSC 11a_100000740002_100000184570 [0,1,0,0,0,1|2,0,0]=4 4399 B12R0.276 CNC(=O)CCCNC(=O)CSC 240690a_100000740002_100000184570 [0,1,0,0,0,1|2,0,0]=4 4400 B12R0.276 CNC(=O)CCCNC(=O)CSC 527a_100000740002_100000184570 [0,1,0,0,0,1|2,0,0]=4 4401 B12R0.276 CNCC(=O)NCCCC(=O)OC 2230a_106832991635_100000230218 [0,1,0,0,0,1|1,0,0]=3 4402 B12R0.276 CNCC(=O)NCCCC(=O)OC 34a_100102657272_100000230218 [0,1,0,0,0,1|1,0,0]=3 4403 B12R0.276 CNCC(=O)NCCCC(=O)OC 7a_106832991635_100000230218 [0,1,0,0,0,1|1,0,0]=3 4404 B12R0.276 CNNC(=O)CCCCC(=O)OC 22a_100016993582_100000695723 [0,1,0,0,0,1|2,0,0]=4 4405 B12R0.276 CNNC(=O)CCCNC(=O)OC 22a_100016993582_100000753017 [0,1,0,0,0,1|2,0,0]=4 4406 B12R0.276 COC(=O)CCCCC(=O)CC#N 1458a_100000695723_100011214920 [0,1,0,0,0,1|1,0,1]=4 4407 B12R0.276 COC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000204269 [0,1,0,0,0,1|1,0,1]=4 4408 B12R0.276 COC(=O)CCCCC(=O)CCF 1458a_100000695723_100011217306 [0,1,0,0,0,1|1,0,0]=3 4409 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100000695723_100000211926 [0,1,0,0,0,1|1,0,0]=3 4410 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100011216618_100000204269 [0,1,0,0,0,1|1,0,0]=3 4411 B12R0.276 COC(=O)CCCCC(=O)CSC 1458a_100000184570_100000204269 [0,1,0,0,0,1|1,0,0]=3 4412 B12R0.276 COC(=O)CCCNC(=O)CSC 188690a_100000184769_100000184570 [0,1,0,0,0,1|1,0,0]=3 4413 B12R0.276 COC(=O)CCCNC(=O)CSC 62a_100000230218_200000210301 [0,1,0,0,0,1|1,0,0]=3 4414 B12R0.276 COC(=O)CCCNC(=O)CSC 62a_200000210301_100000230218 [0,1,0,0,0,1|1,0,0]=3 4415 B12R0.276 COC(=O)CCCNC(=O)CS[13CH3] 62a_100000230218_200025704644 [0,1,0,0,0,1|1,0,0]=3 4416 B12R0.276 COC(=O)CCCNC(=O)CS[13CH3] 62a_200025704644_100000230218 [0,1,0,0,0,1|1,0,0]=3 4417 B12R0.276 COC(=O)CCSCC(=O)NCO 62a_100000185155_100000204255 [0,1,0,0,0,1|2,0,0]=4 4418 B12R0.276 COC(=O)CCSCC(=O)NCO 62a_100000204255_100000185155 [0,1,0,0,0,1|2,0,0]=4 4419 B12R0.276 COC(=O)COCCC(=O)CC#N 1458a_100051588842_100000090808 [0,1,0,0,0,1|1,0,1]=4 4420 B12R0.276 COC(=O)COCCC(=O)CCO 1458a_100011216618_100000090808 [0,1,0,0,0,1|1,0,0]=3 4421 B12R0.276 COC(=O)COCCC(=O)CSC 1458a_100000184570_100000090808 [0,1,0,0,0,1|1,0,0]=3 4422 B12R0.276 COC(=O)NCCCC(=O)CC#N 1458a_100000753017_100011214920 [0,1,0,0,0,1|1,0,1]=4 4423 B12R0.276 COC(=O)NCCCC(=O)CCF 1458a_100000753017_100011217306 [0,1,0,0,0,1|1,0,0]=3 4424 B12R0.276 COC(=O)NCCCC(=O)CCO 1458a_100000753017_100000211926 [0,1,0,0,0,1|1,0,0]=3 4425 B12R0.276 COCC(=O)CCCCC(=O)OC 1458a_100000210968_100000204269 [0,1,0,0,0,1|1,0,0]=3 4426 B12R0.276 COCC(=O)CCOCC(=O)OC 1458a_100000210968_100000090808 [0,1,0,0,0,1|1,0,0]=3 4427 B12R0.276 COCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210968 [0,1,0,0,0,1|1,0,0]=3 4428 B12R0.276 COCC(=O)NCCCC(=O)OC 34a_100138415774_100000230218 [0,1,0,0,0,1|1,0,0]=3 4429 B12R0.279 CC(CNCC(=O)NCO)C(=O)O 269956a_100000749485_100000185155 [0,1,0,0,0,1|2,0,0]=4 4430 B12R0.279 CCCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747444 [0,1,0,0,0,1|0,0,0]=2 4431 B12R0.279 CCCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747444 [0,1,0,0,0,1|0,0,0]=2 4432 B12R0.279 CCCC(=O)COCC(C)C(=O)C 7a_100000032740_100000747444 [0,1,0,0,0,1|1,0,0]=3 4433 B12R0.279 CCCC(=O)COCC(C)[N+](=O)[O-] 7a_100000039676_100000747444 [0,1,0,0,0,1|1,0,1]=4 4434 B12R0.279 CCCC(=O)CSCC(=O)C(=O)C 62a_100000747444_100011261029 [0,1,0,0,0,1|1,0,1]=4 4435 B12R0.279 CCCC(=O)CSCC(=O)C(=O)C 62a_100011261029_100000747444 [0,1,0,0,0,1|1,0,1]=4 4436 B12R0.279 CCCC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000034017 [0,1,0,0,0,1|1,0,0]=3 4437 B12R0.279 CCCC(=O)OCN[C@H](C)C(=O)N 2230a_100000119354_100000034017 [0,1,0,0,0,1|2,0,0]=4 4438 B12R0.279 CCCC(=O)OCN[C@H](C)C(=O)N 34a_100000119354_100000034017 [0,1,0,0,0,1|2,0,0]=4 4439 B12R0.279 CCCC(=O)OCOC(C)C(=O)C 34a_100000212229_100000034017 [0,1,0,0,0,1|2,0,0]=4 4440 B12R0.279 CCCC(=O)OCO[C@H](C)C(=O)N 34a_100000731257_100000034017 [0,1,0,0,0,1|2,0,0]=4 4441 B12R0.279 CCCC(=O)OCSC(C)C(=O)C 62a_100009814033_100000034017 [0,1,0,0,0,1|2,0,0]=4 4442 B12R0.279 CCCC(=O)OCSC(C)C(=O)N 62a_100000702099_100000034017 [0,1,0,0,0,1|2,0,0]=4 4443 B12R0.279 CCCC(=O)OCSC(F)C(=O)N 62a_100009813875_100000034017 [0,1,0,0,0,1|2,0,0]=4 4444 B12R0.279 CCCC(=O)OCSC(F)C(=O)[O-] 62a_100020610796_100000034017 [0,1,0,0,0,1|1,0,1]=4 4445 B12R0.279 CCCC(C)CNCC(C)C(=O)O 269956a_100000749485_100011216630 [0,1,0,0,0,1|1,0,1]=4 4446 B12R0.279 CCCC(C)CNCC(F)C(=O)O 269956a_100000084737_100011216630 [0,1,0,0,0,1|1,0,1]=4 4447 B12R0.279 CCNC(=O)CCNC(C)C(=O)N 34a_100025743525_100000702099 [0,1,0,0,0,1|2,0,0]=4 4448 B12R0.279 CCNC(=O)CCNC(F)C(=O)N 34a_100025743525_100009813875 [0,1,0,0,0,1|2,0,0]=4 4449 B12R0.279 CCNC(=O)CCNC(F)C(=O)[O-] 34a_100025743525_100020610796 [0,1,0,0,0,1|1,0,1]=4 4450 B12R0.279 CCNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737597 [0,1,0,0,0,1|1,0,0]=3 4451 B12R0.279 CCNC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000737597 [0,1,0,0,0,1|2,0,0]=4 4452 B12R0.279 CCNC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000737597 [0,1,0,0,0,1|1,0,1]=4 4453 B12R0.279 CCNC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000737597 [0,1,0,0,0,1|2,0,0]=4 4454 B12R0.279 CCNC(=O)CCSC(C)C(=O)C 62a_100000737597_100009814033 [0,1,0,0,0,1|2,0,0]=4 4455 B12R0.279 CCNC(=O)CCSC(C)C(=O)C 62a_100009814033_100000737597 [0,1,0,0,0,1|2,0,0]=4 4456 B12R0.279 CCNC(=O)CCSC(C)C(=O)N 62a_100000702099_100000737597 [0,1,0,0,0,1|2,0,0]=4 4457 B12R0.279 CCNC(=O)CCSC(C)C(=O)N 62a_100000737597_100000702099 [0,1,0,0,0,1|2,0,0]=4 4458 B12R0.279 CCNC(=O)CCSC(F)C(=O)N 62a_100000737597_100009813875 [0,1,0,0,0,1|2,0,0]=4 4459 B12R0.279 CCNC(=O)CCSC(F)C(=O)N 62a_100009813875_100000737597 [0,1,0,0,0,1|2,0,0]=4 4460 B12R0.279 CCNC(=O)CCSC(F)C(=O)[O-] 62a_100000737597_100020610796 [0,1,0,0,0,1|1,0,1]=4 4461 B12R0.279 CCNC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000737597 [0,1,0,0,0,1|1,0,1]=4 4462 B12R0.279 CCNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183381 [0,1,0,0,0,1|1,0,0]=3 4463 B12R0.279 CCNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183381 [0,1,0,0,0,1|1,0,0]=3 4464 B12R0.279 CCNC(=O)COCC(C)C(=O)C 34a_100000032740_100000183381 [0,1,0,0,0,1|2,0,0]=4 4465 B12R0.279 CCNC(=O)COCC(C)C(=O)C 7a_100000032740_100000183381 [0,1,0,0,0,1|2,0,0]=4 4466 B12R0.279 CCNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000183381 [0,1,0,0,0,1|2,0,0]=4 4467 B12R0.279 CCOC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000765890 [0,1,0,0,0,1|1,0,0]=3 4468 B12R0.279 CCOC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100011206558 [0,1,0,0,0,1|2,0,0]=4 4469 B12R0.279 CCOC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100000765890 [0,1,0,0,0,1|2,0,0]=4 4470 B12R0.279 CCOC(=O)CCOC(C)C(=O)C 34a_100000212229_100000765890 [0,1,0,0,0,1|2,0,0]=4 4471 B12R0.279 CCOC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011206558 [0,1,0,0,0,1|1,0,1]=4 4472 B12R0.279 CCOC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100000765890 [0,1,0,0,0,1|2,0,0]=4 4473 B12R0.279 CCOC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100011206558 [0,1,0,0,0,1|2,0,0]=4 4474 B12R0.279 CCOC(=O)CCSC(C)C(=O)C 62a_100000765890_100009814033 [0,1,0,0,0,1|2,0,0]=4 4475 B12R0.279 CCOC(=O)CCSC(C)C(=O)C 62a_100009814033_100000765890 [0,1,0,0,0,1|2,0,0]=4 4476 B12R0.279 CCOC(=O)CCSC(C)C(=O)N 62a_100000702099_100000765890 [0,1,0,0,0,1|2,0,0]=4 4477 B12R0.279 CCOC(=O)CCSC(C)C(=O)N 62a_100000765890_100000702099 [0,1,0,0,0,1|2,0,0]=4 4478 B12R0.279 CCOC(=O)CCSC(F)C(=O)N 62a_100000765890_100009813875 [0,1,0,0,0,1|2,0,0]=4 4479 B12R0.279 CCOC(=O)CCSC(F)C(=O)N 62a_100009813875_100000765890 [0,1,0,0,0,1|2,0,0]=4 4480 B12R0.279 CCOC(=O)CCSC(F)C(=O)[O-] 62a_100000765890_100020610796 [0,1,0,0,0,1|1,0,1]=4 4481 B12R0.279 CCOC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000765890 [0,1,0,0,0,1|1,0,1]=4 4482 B12R0.279 CCOC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000188475 [0,1,0,0,0,1|1,0,0]=3 4483 B12R0.279 CCOC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000188475 [0,1,0,0,0,1|1,0,0]=3 4484 B12R0.279 CCOC(=O)COCC(C)C(=O)C 34a_100000032740_100000188475 [0,1,0,0,0,1|2,0,0]=4 4485 B12R0.279 CCOC(=O)COCC(C)C(=O)C 7a_100000032740_100000188475 [0,1,0,0,0,1|2,0,0]=4 4486 B12R0.279 CCOC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000188475 [0,1,0,0,0,1|2,0,0]=4 4487 B12R0.279 O=C(CNCC(F)C(=O)O)NCO 269956a_100000084737_100000185155 [0,1,0,0,0,1|2,0,0]=4 4488 B12R0.283 C=C(C)CCC(=O)CC(=O)CCC 1458a_200000688413_100000747444 [0,1,0,0,0,1|2,0,0]=4 4489 B12R0.283 CC(=O)SCC(C)CC(=O)CCO 1458a_100011216618_200000116872 [0,1,0,0,0,1|2,0,0]=4 4490 B12R0.283 CCCC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747444 [0,1,0,0,0,1|1,0,0]=3 4491 B12R0.283 CCCC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000747444 [0,1,0,0,0,1|1,0,1]=4 4492 B12R0.283 CCCC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000747444 [0,1,0,0,0,1|1,0,1]=4 4493 B12R0.283 CCCC(=O)CC(=O)CNC(=O)N 1458a_100000184981_100000747444 [0,1,0,0,0,1|1,0,1]=4 4494 B12R0.283 CCCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747444 [0,1,0,0,0,1|1,0,1]=4 4495 B12R0.283 CCCC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000747444 [0,1,0,0,0,1|1,0,1]=4 4496 B12R0.283 CCCC(=O)CC(C)CSC(=O)C 1458a_100000211992_200000116872 [0,1,0,0,0,1|1,0,0]=3 4497 B12R0.283 CCCC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000747444 [0,1,0,0,0,1|1,0,0]=3 4498 B12R0.283 CCNC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000183381 [0,1,0,0,0,1|2,0,0]=4 4499 B12R0.283 CCNC(=O)CN(C)CCC(=O)C 269982a_100000741943_100000053229 [0,1,0,0,0,1|2,0,0]=4 4500 B12R0.283 CCNC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000183381 [0,1,0,0,0,1|2,0,0]=4 4501 B12R0.283 CCNC(=O)CN(C)CCC(=O)N 2230a_100000741943_100000744528 [0,1,0,0,0,1|2,0,0]=4 4502 B12R0.283 CCNC(=O)CN(C)CCC(=O)N 269982a_100000741943_100000744528 [0,1,0,0,0,1|2,0,0]=4 4503 B12R0.283 CCOC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000188475 [0,1,0,0,0,1|2,0,0]=4 4504 B12R0.283 CCOC(=O)CC(C)NCC(=O)N 2230a_100000711301_100009817359 [0,1,0,0,0,1|2,0,0]=4 4505 B12R0.283 CCOC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817359 [0,1,0,0,0,1|1,0,0]=3 4506 B12R0.283 CCOC(=O)CC(C)SCC(=O)N 62a_100000747473_100009817359 [0,1,0,0,0,1|2,0,0]=4 4507 B12R0.283 CCOC(=O)CC(C)SCC(=O)N 62a_100009817359_100000747473 [0,1,0,0,0,1|2,0,0]=4 4508 B12R0.283 CCOC(=O)CC(C)SCC(=O)[O-] 62a_100009817359_100020667443 [0,1,0,0,0,1|1,0,1]=4 4509 B12R0.283 CCOC(=O)CC(C)SCC(=O)[O-] 62a_100020667443_100009817359 [0,1,0,0,0,1|1,0,1]=4 4510 B12R0.283 CCOC(=O)CN(C)CCC(=O)N 2230a_100000220588_100000744528 [0,1,0,0,0,1|2,0,0]=4 4511 B12R0.283 CCOC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000188475 [0,1,0,0,0,1|2,0,0]=4 4512 B12R0.283 CCOC(=O)C[C@@H](C)OCC(=O)N 7a_100009816390_100000187820 [0,1,0,0,0,1|2,0,0]=4 4513 B12R0.283 COCC(=O)CC(C)CSC(=O)C 1458a_100000210968_200000116872 [0,1,0,0,0,1|2,0,0]=4 4514 B12R0.283 CSCC(=O)CC(C)CSC(=O)C 1458a_100000184570_200000116872 [0,1,0,0,0,1|2,0,0]=4 4515 B12R0.2 CCCNC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000183358 [0,2,0,0,0,0|1,0,1]=4 4516 B12R0.2 CCCNC(=O)CN(C)CC(=O)N 2230a_100000684209_100000747473 [0,2,0,0,0,0|2,0,0]=4 4517 B12R0.2 CCCNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000183358 [0,2,0,0,0,0|2,0,0]=4 4518 B12R0.2 CCCNC(=O)CN(C)CC(=O)N 269982a_100000684209_100000187820 [0,2,0,0,0,0|2,0,0]=4 4519 B12R0.2 CCCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183358 [0,2,0,0,0,0|1,0,0]=3 4520 B12R0.2 CCCNC(=O)CN(C)CC(=O)[O-] 269982a_100000684209_100020667443 [0,2,0,0,0,0|1,0,1]=4 4521 B12R0.2 CCCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_200011215008 [0,2,0,0,0,0|1,0,1]=4 4522 B12R0.2 CCCOC(=O)CN(C)CC(=O)N 2230a_100000739694_200011215008 [0,2,0,0,0,0|2,0,0]=4 4523 B12R0.2 CCCOC(=O)CN(C)CC(=O)O 269956a_100000746989_200011215008 [0,2,0,0,0,0|1,0,0]=3 4524 B12R0.3 CC(C)NC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183996 [0,2,0,0,0,0|2,0,0]=4 4525 B12R0.3 CC(C)OC(=O)CN(C)CC(=O)O 269956a_100000746989_100011215430 [0,2,0,0,0,0|2,0,0]=4 4526 B12R0.18 CCCC(=O)CN(CC)CC(=O)O 269956a_100000746405_100000747444 [0,2,0,0,0,0|1,0,0]=3 4527 B12R0.18 CCCC(=O)CN(CO)CC(=O)[O-] 269956a_100016989150_100000747444 [0,2,0,0,0,0|1,0,1]=4 4528 B12R0.18 CCNC(=O)CN(CC)CC(=O)O 269956a_100000746405_100000183381 [0,2,0,0,0,0|2,0,0]=4 4529 B12R0.18 CCOC(=O)CN(CC)CC(=O)O 269956a_100000746405_100000188475 [0,2,0,0,0,0|2,0,0]=4 4530 B12R0.20 CCCC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747444 [0,2,0,0,0,0|1,0,0]=3 4531 B12R0.20 CCNC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000183381 [0,2,0,0,0,0|2,0,0]=4 4532 B12R0.20 CCOC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000188475 [0,2,0,0,0,0|2,0,0]=4 4533 B12R0.68 C#CCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000184674 [0,2,0,0,0,0|0,0,2]=4 4534 B12R0.68 C=C(CCC)CC(=O)CC(=O)OC 1458a_100000138376_100000747449 [0,2,0,0,0,0|1,0,1]=4 4535 B12R0.68 C=CCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210623 [0,2,0,0,0,0|0,0,2]=4 4536 B12R0.68 CCCC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000747444 [0,2,0,0,0,0|0,0,1]=3 4537 B12R0.68 CCCC(=O)CC(=O)NC(=O)OC 1458a_100000211992_100000010850 [0,2,0,0,0,0|1,0,1]=4 4538 B12R0.68 CCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210303 [0,2,0,0,0,0|0,0,0]=2 4539 B12R0.68 CCCC(=O)CN(C)CC(=O)NC 2230a_100000189611_100000747444 [0,2,0,0,0,0|2,0,0]=4 4540 B12R0.68 CCCC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000747444 [0,2,0,0,0,0|1,0,0]=3 4541 B12R0.68 CCCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000211992 [0,2,0,0,0,0|1,0,0]=3 4542 B12R0.68 CCCS(=O)CC(=O)CC(=O)OC 1458a_100011387404_100000747449 [0,2,0,0,0,0|1,0,1]=4 4543 B12R0.68 CCNC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000183381 [0,2,0,0,0,0|1,0,1]=4 4544 B12R0.68 CCNC(=O)CC(C)CC(=O)OC 11a_100015525214_100000732146 [0,2,0,0,0,0|1,0,0]=3 4545 B12R0.68 CCNC(=O)CC(C)CC(=O)OC 240690a_100015525214_100000732146 [0,2,0,0,0,0|1,0,0]=3 4546 B12R0.68 CCNC(=O)CC(C)CC(=O)OC 527a_100015525214_100000732146 [0,2,0,0,0,0|1,0,0]=3 4547 B12R0.68 CCNC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000183381 [0,2,0,0,0,0|2,0,0]=4 4548 B12R0.68 CCNC(=O)CN(C)CC(=O)OC 2230a_100000741943_100000747449 [0,2,0,0,0,0|2,0,0]=4 4549 B12R0.68 CCNC(=O)CN(C)CC(=O)OC 269982a_100000741943_100000747449 [0,2,0,0,0,0|2,0,0]=4 4550 B12R0.68 CCOC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000188475 [0,2,0,0,0,0|1,0,1]=4 4551 B12R0.68 CCOC(=O)CC(=O)CC(=O)OC 1458a_100000243816_100000747449 [0,2,0,0,0,0|1,0,1]=4 4552 B12R0.68 CCOC(=O)CC(C)NC(=O)CO 188690a_100000686176_100000210174 [0,2,0,0,0,0|2,0,0]=4 4553 B12R0.68 CCOC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000188475 [0,2,0,0,0,0|2,0,0]=4 4554 B12R0.68 CCOC(=O)CN(C)CC(=O)OC 2230a_100000220588_100000747449 [0,2,0,0,0,0|2,0,0]=4 4555 B12R0.68 CNNC(=O)CC(C)CC(=O)OC 22a_100016993582_100000732146 [0,2,0,0,0,0|2,0,0]=4 4556 B12R0.68 COC(=O)CC(C)CC(=O)CC#N 1458a_100000732146_100011214920 [0,2,0,0,0,0|1,0,1]=4 4557 B12R0.68 COC(=O)CC(C)CC(=O)CCF 1458a_100000732146_100011217306 [0,2,0,0,0,0|1,0,0]=3 4558 B12R0.68 COC(=O)CC(C)CC(=O)CCO 1458a_100000732146_100000211926 [0,2,0,0,0,0|1,0,0]=3 4559 B12R0.68 COC(=O)C[C@@H](C)NC(=O)CSC 188690a_100016994721_100000184570 [0,2,0,0,0,0|2,0,0]=4 4560 B12R0.68 COCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000210968 [0,2,0,0,0,0|2,0,0]=4 4561 B12R0.78 CCCC(=O)CC(O)CS(=O)(=O)[O-] 1458a_100000211992_100016993520 [0,2,0,0,0,0|1,0,1]=4 4562 B12R0.191 CCNC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100000230173 [0,2,0,0,0,0|2,0,0]=4 4563 B12R0.563 CCN(C)C(=O)CN(C)CC(=O)O 269956a_100000746989_100000738999 [0,2,0,0,0,0|2,0,0]=4 4564 B12R0.744 CCCC(=O)NC(C)(C)CC(=O)N 11a_100000763158_100000211992 [0,2,0,0,0,0|2,0,0]=4 4565 B12R0.744 CCCC(=O)NC(C)(C)CC(=O)N 1626a_100000763158_100000211992 [0,2,0,0,0,0|2,0,0]=4 4566 B12R0.744 CCCC(=O)NC(C)(C)CC(=O)N 240690a_100000763158_100000211992 [0,2,0,0,0,0|2,0,0]=4 4567 B12R0.744 CCCC(=O)NC(C)(C)CC(=O)N 527a_100000763158_100000211992 [0,2,0,0,0,0|2,0,0]=4 4568 B12R0.66 CC(C)CC(=O)CCCS(=O)(=O)C 1458a_100000210554_100000754308 [0,2,0,0,0,0|1,0,1]=4 4569 B12R0.66 CC(C)CC(=O)CCCS(=O)(=O)N 1458a_100000210554_100000750626 [0,2,0,0,0,0|1,0,1]=4 4570 B12R0.66 CC(C)CC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210624 [0,2,0,0,0,0|1,0,1]=4 4571 B12R0.66 CC(C)CC(=O)CCCS(=O)(=O)[O-] 1458a_100000210554_100009813499 [0,2,0,0,0,0|1,0,1]=4 4572 B12R0.66 CC(O)CC(=O)CCCS(=O)(=O)N 1458a_100000739357_100011218427 [0,2,0,0,0,0|1,0,1]=4 4573 B12R0.66 C[C@@H](O)CC(=O)CCCS(=O)(=O)C 1458a_100011933948_100000754308 [0,2,0,0,0,0|1,0,1]=4 4574 B12R0.66 C[C@@H](O)CC(=O)CCCS(=O)(=O)N 1458a_100011933948_100000750626 [0,2,0,0,0,0|1,0,1]=4 4575 B12R0.66 C[C@@H](O)CC(=O)CCCS(=O)(=O)[O-] 1458a_100011933948_100009813499 [0,2,0,0,0,0|1,0,1]=4 4576 B12R0.140 CC(=O)CCCC(=O)CC(C)(C)C 1458a_100000211214_100011215641 [0,2,0,0,0,0|1,0,0]=3 4577 B12R0.140 CC(=O)CCCC(=O)CC(C)(C)O 1458a_100000693243_100011215641 [0,2,0,0,0,0|1,0,0]=3 4578 B12R0.140 CC(=O)CCCC(=O)CC(F)(F)F 1458a_100000245130_100011215641 [0,2,0,0,0,0|2,0,0]=4 4579 B12R0.140 CC(=O)CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011215641 [0,2,0,0,0,0|2,0,0]=4 4580 B12R0.140 CC(=O)CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100011215641 [0,2,0,0,0,0|2,0,0]=4 4581 B12R0.140 CC(=O)CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100011215641 [0,2,0,0,0,0|1,1,0]=4 4582 B12R0.140 CC(=O)CCCC(=O)NC(C)(C)C 1458a_100000070787_100011194434 [0,2,0,0,0,0|2,0,0]=4 4583 B12R0.140 CC(=O)CCCC(=O)OC(C)(C)C 1458a_100000070787_100000708543 [0,2,0,0,0,0|2,0,0]=4 4584 B12R0.140 CC(=O)CCCC(=O)OC(C)(C)C 1458a_100000093537_200000210301 [0,2,0,0,0,0|2,0,0]=4 4585 B12R0.140 CC(=O)NCCC(=O)CC(C)(C)C 1458a_100000211214_100000189650 [0,2,0,0,0,0|2,0,0]=4 4586 B12R0.140 CC(=O)NCCC(=O)CC(C)(C)O 1458a_100000693243_100000189650 [0,2,0,0,0,0|2,0,0]=4 4587 B12R0.140 CC(=O)OCCC(=O)CC(C)(C)C 1458a_100000211214_100009814007 [0,2,0,0,0,0|2,0,0]=4 4588 B12R0.140 CC(=O)OCCC(=O)CC(C)(C)O 1458a_100000693243_100009814007 [0,2,0,0,0,0|2,0,0]=4 4589 B12R0.140 CC(C)(C)CC(=O)CCCC(=O)N 1458a_100000211214_100102525003 [0,2,0,0,0,0|1,0,0]=3 4590 B12R0.140 CC(C)(C)CC(=O)CCNC(=O)N 1458a_100000211214_200000034859 [0,2,0,0,0,0|2,0,0]=4 4591 B12R0.140 CC(C)(C)CC(=O)CCOC(=O)N 1458a_100000211214_200011214921 [0,2,0,0,0,0|2,0,0]=4 4592 B12R0.140 CC(C)(C)CC(=O)NCCC(=O)N 11a_100000740010_100000211214 [0,2,0,0,0,0|2,0,0]=4 4593 B12R0.140 CC(C)(C)CC(=O)NCCC(=O)N 240690a_100000740010_100000211214 [0,2,0,0,0,0|2,0,0]=4 4594 B12R0.140 CC(C)(C)CC(=O)NCCC(=O)N 527a_100000740010_100000211214 [0,2,0,0,0,0|2,0,0]=4 4595 B12R0.140 CC(C)(C)NC(=O)CNCC(=O)O 269956a_100016091260_100000182746 [0,2,0,0,0,0|2,0,0]=4 4596 B12R0.140 CC(C)(C)OC(=O)CCCC(=O)[13CH3] 1458a_100000093537_200025704644 [0,2,0,0,0,0|2,0,0]=4 4597 B12R0.140 CC(C)(C)OC(=O)CNCC(=O)O 269956a_100016091260_100000183872 [0,2,0,0,0,0|2,0,0]=4 4598 B12R0.140 CC(C)(O)CC(=O)CCCC(=O)N 1458a_100000693243_100102525003 [0,2,0,0,0,0|1,0,0]=3 4599 B12R0.140 CC(C)(O)CC(=O)CCNC(=O)N 1458a_100000693243_200000034859 [0,2,0,0,0,0|2,0,0]=4 4600 B12R0.140 CC(C)(O)CC(=O)CCOC(=O)N 1458a_100000693243_200011214921 [0,2,0,0,0,0|2,0,0]=4 4601 B12R0.140 CC(C)(O)CC(=O)NCCC(=O)N 527a_100000740010_100000693243 [0,2,0,0,0,0|2,0,0]=4 4602 B12R0.140 CC(O)CCCC(=O)CC(C)(C)C 1458a_100000211214_200000718107 [0,2,0,0,0,0|1,0,1]=4 4603 B12R0.140 CC(O)CCCC(=O)CC(C)(C)O 1458a_100000693243_200000718107 [0,2,0,0,0,0|1,0,1]=4 4604 B12R0.140 CN(CCCC(=O)O)CC(C)(C)C 269956a_100000719178_100011219605 [0,2,0,0,0,0|2,0,0]=4 4605 B12R0.140 CN(CCCC(=O)O)CC(C)(C)F 269956a_100000719178_100011997219 [0,2,0,0,0,0|2,0,0]=4 4606 B12R0.140 CN(CCCC(=O)O)CC(C)(C)O 269956a_100000719178_100000764493 [0,2,0,0,0,0|2,0,0]=4 4607 B12R0.140 CS(=O)(=O)CC(=O)CCCC(=O)N 1458a_100000744497_100102525003 [0,2,0,0,0,0|2,0,0]=4 4608 B12R0.140 C[N+](C)(C)CC(=O)CCCC(=O)N 1458a_100000033712_100102525003 [0,2,0,0,0,0|2,0,0]=4 4609 B12R0.140 C[Si](C)(C)CC(=O)CCCC(=O)N 1458a_100011218504_100102525003 [0,2,0,0,0,0|1,1,0]=4 4610 B12R0.140 NC(=O)CCCC(=O)CC(F)(F)F 1458a_100000245130_100102525003 [0,2,0,0,0,0|2,0,0]=4 4611 B12R0.240 C=CC(C)CC(=O)CCCC(=O)C 1458a_100011934298_100011215641 [0,2,0,0,0,0|1,0,0]=3 4612 B12R0.240 C=CC(C)CC(=O)CCCC(=O)N 1458a_100011934298_100102525003 [0,2,0,0,0,0|1,0,0]=3 4613 B12R0.240 C=CC(C)CC(=O)CCCC(C)O 1458a_100011934298_200000718107 [0,2,0,0,0,0|1,0,1]=4 4614 B12R0.240 C=CC(C)CC(=O)CCNC(=O)C 1458a_100011934298_100000189650 [0,2,0,0,0,0|2,0,0]=4 4615 B12R0.240 C=CC(C)CC(=O)CCNC(=O)N 1458a_100011934298_200000034859 [0,2,0,0,0,0|2,0,0]=4 4616 B12R0.240 C=CC(C)CC(=O)CCOC(=O)C 1458a_100011934298_100009814007 [0,2,0,0,0,0|2,0,0]=4 4617 B12R0.240 C=CC(C)CC(=O)CCOC(=O)N 1458a_100011934298_200011214921 [0,2,0,0,0,0|2,0,0]=4 4618 B12R0.240 C=CC(C)CC(=O)NCCC(=O)N 11a_100000740010_100011934298 [0,2,0,0,0,0|2,0,0]=4 4619 B12R0.240 C=CC(C)CC(=O)NCCC(=O)N 240690a_100000740010_100011934298 [0,2,0,0,0,0|2,0,0]=4 4620 B12R0.240 C=CC(C)CC(=O)NCCC(=O)N 527a_100000740010_100011934298 [0,2,0,0,0,0|2,0,0]=4 4621 B12R0.240 CC(=O)NCCC(=O)C[C@@H](C)CO 1458a_100000183196_100000059175 [0,2,0,0,0,0|2,0,0]=4 4622 B12R0.240 CC(=O)SCCC(=O)C[C@@H](C)CO 1458a_100000048949_100000059175 [0,2,0,0,0,0|2,0,0]=4 4623 B12R0.240 CCC(=CC(=O)CCCC(=O)C)C 1458a_100020758463_100011215641 [0,2,0,0,0,0|1,0,1]=4 4624 B12R0.240 CCC(=CC(=O)CCCC(=O)N)C 1458a_100020758463_100102525003 [0,2,0,0,0,0|1,0,1]=4 4625 B12R0.240 CCC(=O)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000747405 [0,2,0,0,0,0|1,0,1]=4 4626 B12R0.240 CCC(=O)CC(=O)CCNC(=O)C 1458a_100000183196_100000747405 [0,2,0,0,0,0|2,0,0]=4 4627 B12R0.240 CCC(=O)CC(=O)CCNC(=O)N 1458a_100000181464_100000747405 [0,2,0,0,0,0|2,0,0]=4 4628 B12R0.240 CCC(=O)CC(=O)CCSC(=O)C 1458a_100000048949_100000747405 [0,2,0,0,0,0|2,0,0]=4 4629 B12R0.240 CCC(=O)CC(=O)COCC(=O)N 1458a_100011219004_100000747405 [0,2,0,0,0,0|2,0,0]=4 4630 B12R0.240 CCC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747405 [0,2,0,0,0,0|2,0,0]=4 4631 B12R0.240 CCC(C)CC(=O)CCCC(=O)C 1458a_100000708755_100011215641 [0,2,0,0,0,0|1,0,0]=3 4632 B12R0.240 CCC(C)CC(=O)CCCC(=O)N 1458a_100000708755_100102525003 [0,2,0,0,0,0|1,0,0]=3 4633 B12R0.240 CCC(C)CC(=O)CCCC(C)O 1458a_100000708755_200000718107 [0,2,0,0,0,0|1,0,1]=4 4634 B12R0.240 CCC(C)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000748023 [0,2,0,0,0,0|1,0,1]=4 4635 B12R0.240 CCC(C)CC(=O)CCNC(=O)C 1458a_100000183196_100000748023 [0,2,0,0,0,0|2,0,0]=4 4636 B12R0.240 CCC(C)CC(=O)CCNC(=O)C 1458a_100000708755_100000189650 [0,2,0,0,0,0|2,0,0]=4 4637 B12R0.240 CCC(C)CC(=O)CCNC(=O)N 1458a_100000181464_100000748023 [0,2,0,0,0,0|2,0,0]=4 4638 B12R0.240 CCC(C)CC(=O)CCNC(=O)N 1458a_100000708755_200000034859 [0,2,0,0,0,0|2,0,0]=4 4639 B12R0.240 CCC(C)CC(=O)CCOC(=O)C 1458a_100000708755_100009814007 [0,2,0,0,0,0|2,0,0]=4 4640 B12R0.240 CCC(C)CC(=O)CCOC(=O)N 1458a_100000708755_200011214921 [0,2,0,0,0,0|2,0,0]=4 4641 B12R0.240 CCC(C)CC(=O)CCSC(=O)C 1458a_100000048949_100000748023 [0,2,0,0,0,0|2,0,0]=4 4642 B12R0.240 CCC(C)CC(=O)COCC(=O)N 1458a_100011219004_100000748023 [0,2,0,0,0,0|2,0,0]=4 4643 B12R0.240 CCC(C)CC(=O)NCCC(=O)N 11a_100000740010_100000708755 [0,2,0,0,0,0|2,0,0]=4 4644 B12R0.240 CCC(C)CC(=O)NCCC(=O)N 240690a_100000740010_100000708755 [0,2,0,0,0,0|2,0,0]=4 4645 B12R0.240 CCC(C)CC(=O)NCCC(=O)N 527a_100000740010_100000708755 [0,2,0,0,0,0|2,0,0]=4 4646 B12R0.240 CCC(C)CN(C)CCCC(=O)O 269956a_100000719178_100000748023 [0,2,0,0,0,0|2,0,0]=4 4647 B12R0.240 CCC(C)NC(=O)CCCC(C)O 1626a_100000209981_100000761597 [0,2,0,0,0,0|1,0,1]=4 4648 B12R0.240 CCC(C)NC(=O)CCCC(C)O 527a_100000209981_100000761597 [0,2,0,0,0,0|1,0,1]=4 4649 B12R0.240 CCC(C)NC(=O)CCC[N+](=O)[O-] 11a_100000209981_100016109205 [0,2,0,0,0,0|1,0,1]=4 4650 B12R0.240 CCC(C)NC(=O)CCC[N+](=O)[O-] 1626a_100000209981_100016109205 [0,2,0,0,0,0|1,0,1]=4 4651 B12R0.240 CCC(C)NC(=O)CCC[N+](=O)[O-] 240690a_100000209981_100016109205 [0,2,0,0,0,0|1,0,1]=4 4652 B12R0.240 CCC(C)NC(=O)CCC[N+](=O)[O-] 527a_100000209981_100016109205 [0,2,0,0,0,0|1,0,1]=4 4653 B12R0.240 CCC(C)NC(=O)CCNC(=O)C 11a_100000209981_100000183196 [0,2,0,0,0,0|2,0,0]=4 4654 B12R0.240 CCC(C)NC(=O)CCNC(=O)C 1626a_100000209981_100000183196 [0,2,0,0,0,0|2,0,0]=4 4655 B12R0.240 CCC(C)NC(=O)CCNC(=O)C 240690a_100000209981_100000183196 [0,2,0,0,0,0|2,0,0]=4 4656 B12R0.240 CCC(C)NC(=O)CCNC(=O)C 527a_100000209981_100000183196 [0,2,0,0,0,0|2,0,0]=4 4657 B12R0.240 CCC(C)NC(=O)CCNC(=O)N 240690a_100000209981_100000181464 [0,2,0,0,0,0|2,0,0]=4 4658 B12R0.240 CCC(C)NC(=O)CCNC(=O)N 527a_100000209981_100000181464 [0,2,0,0,0,0|2,0,0]=4 4659 B12R0.240 CCC(C)NC(=O)CCSC(=O)C 1626a_100000209981_100000048949 [0,2,0,0,0,0|2,0,0]=4 4660 B12R0.240 CCC(C)NC(=O)CCSC(=O)C 240690a_100000209981_100000048949 [0,2,0,0,0,0|2,0,0]=4 4661 B12R0.240 CCC(C)NC(=O)CNCC(=O)N 2230a_100000711301_100000182745 [0,2,0,0,0,0|2,0,0]=4 4662 B12R0.240 CCC(C)NC(=O)CNCC(=O)O 269956a_100016091260_100000182745 [0,2,0,0,0,0|1,0,0]=3 4663 B12R0.240 CCC(C)NC(=O)COCC(=O)C 34a_100000211253_100000182745 [0,2,0,0,0,0|2,0,0]=4 4664 B12R0.240 CCC(C)NC(=O)COCC(=O)N 1626a_100000209981_100011219004 [0,2,0,0,0,0|2,0,0]=4 4665 B12R0.240 CCC(C)NC(=O)COCC(=O)N 240690a_100000209981_100011219004 [0,2,0,0,0,0|2,0,0]=4 4666 B12R0.240 CCC(C)NC(=O)COCC(=O)N 527a_100000209981_100011219004 [0,2,0,0,0,0|2,0,0]=4 4667 B12R0.240 CCC(C)NC(=O)CSCC(=O)N 11a_100000209981_100000150265 [0,2,0,0,0,0|2,0,0]=4 4668 B12R0.240 CCC(C)NC(=O)CSCC(=O)N 240690a_100000209981_100000150265 [0,2,0,0,0,0|2,0,0]=4 4669 B12R0.240 CCC(C)NC(=O)CSCC(=O)N 527a_100000209981_100000150265 [0,2,0,0,0,0|2,0,0]=4 4670 B12R0.240 CCC(C)NC(=O)CSCC(=O)N 62a_100000182745_100000747473 [0,2,0,0,0,0|2,0,0]=4 4671 B12R0.240 CCC(C)NC(=O)CSCC(=O)N 62a_100000747473_100000182745 [0,2,0,0,0,0|2,0,0]=4 4672 B12R0.240 CCC(C)NC(=O)CSCC(=O)[O-] 62a_100000182745_100020667443 [0,2,0,0,0,0|1,0,1]=4 4673 B12R0.240 CCC(C)NC(=O)CSCC(=O)[O-] 62a_100020667443_100000182745 [0,2,0,0,0,0|1,0,1]=4 4674 B12R0.240 CCC(C)NC(=O)NCCC(=O)N 2708a_100000209981_100000740010 [0,2,0,0,0,0|2,0,0]=4 4675 B12R0.240 CCC(C)NC(=O)NCCC(=O)N 273464a_100000209981_100000740010 [0,2,0,0,0,0|2,0,0]=4 4676 B12R0.240 CCC(C)NC(=O)NCCC(=O)N 273464a_100000740010_100000209981 [0,2,0,0,0,0|2,0,0]=4 4677 B12R0.240 CCC(C)NC(=O)NCCC(=O)N 512a_100000209981_100000740010 [0,2,0,0,0,0|2,0,0]=4 4678 B12R0.240 CCC(O)CC(=O)CCCC(=O)C 1458a_100011667805_100011215641 [0,2,0,0,0,0|1,0,0]=3 4679 B12R0.240 CCC(O)CC(=O)CCCC(=O)N 1458a_100011667805_100102525003 [0,2,0,0,0,0|1,0,0]=3 4680 B12R0.240 CCC(O)CC(=O)CCCC(C)O 1458a_100011667805_200000718107 [0,2,0,0,0,0|1,0,1]=4 4681 B12R0.240 CCC(O)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011218378 [0,2,0,0,0,0|1,0,1]=4 4682 B12R0.240 CCC(O)CC(=O)CCNC(=O)C 1458a_100000183196_100011218378 [0,2,0,0,0,0|2,0,0]=4 4683 B12R0.240 CCC(O)CC(=O)CCNC(=O)C 1458a_100011667805_100000189650 [0,2,0,0,0,0|2,0,0]=4 4684 B12R0.240 CCC(O)CC(=O)CCNC(=O)N 1458a_100000181464_100011218378 [0,2,0,0,0,0|2,0,0]=4 4685 B12R0.240 CCC(O)CC(=O)CCNC(=O)N 1458a_100011667805_200000034859 [0,2,0,0,0,0|2,0,0]=4 4686 B12R0.240 CCC(O)CC(=O)CCOC(=O)C 1458a_100011667805_100009814007 [0,2,0,0,0,0|2,0,0]=4 4687 B12R0.240 CCC(O)CC(=O)CCOC(=O)N 1458a_100011667805_200011214921 [0,2,0,0,0,0|2,0,0]=4 4688 B12R0.240 CCC(O)CC(=O)CCSC(=O)C 1458a_100000048949_100011218378 [0,2,0,0,0,0|2,0,0]=4 4689 B12R0.240 CCC(O)CC(=O)COCC(=O)N 1458a_100011219004_100011218378 [0,2,0,0,0,0|2,0,0]=4 4690 B12R0.240 CCC(O)CC(=O)NCCC(=O)N 240690a_100000740010_100011667805 [0,2,0,0,0,0|2,0,0]=4 4691 B12R0.240 CCC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011218378 [0,2,0,0,0,0|2,0,0]=4 4692 B12R0.240 CCN(C)CC(=O)CCCC(=O)C 1458a_100116209913_100011215641 [0,2,0,0,0,0|1,0,0]=3 4693 B12R0.240 CCN(C)CC(=O)CCCC(=O)N 1458a_100116209913_100102525003 [0,2,0,0,0,0|1,0,0]=3 4694 B12R0.240 CCN(C)CC(=O)CCCC(C)O 1458a_100116209913_200000718107 [0,2,0,0,0,0|1,0,1]=4 4695 B12R0.240 CCN(C)CC(=O)CCNC(=O)C 1458a_100116209913_100000189650 [0,2,0,0,0,0|2,0,0]=4 4696 B12R0.240 CCN(C)CC(=O)CCNC(=O)N 1458a_100116209913_200000034859 [0,2,0,0,0,0|2,0,0]=4 4697 B12R0.240 CCN(C)CC(=O)CCOC(=O)C 1458a_100116209913_100009814007 [0,2,0,0,0,0|2,0,0]=4 4698 B12R0.240 CCN(C)CC(=O)CCOC(=O)N 1458a_100116209913_200011214921 [0,2,0,0,0,0|2,0,0]=4 4699 B12R0.240 CCN(C)CC(=O)NCCC(=O)N 240690a_100000740010_100116209913 [0,2,0,0,0,0|2,0,0]=4 4700 B12R0.240 CCN(C)CC(=O)NCCC(=O)N 527a_100000740010_100116209913 [0,2,0,0,0,0|2,0,0]=4 4701 B12R0.240 CC[C@H](C)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100009816398 [0,2,0,0,0,0|1,0,1]=4 4702 B12R0.240 CC[C@H](C)CC(=O)CCNC(=O)C 1458a_100000183196_100009816398 [0,2,0,0,0,0|2,0,0]=4 4703 B12R0.240 CC[C@H](C)CC(=O)CCNC(=O)N 1458a_100000181464_100009816398 [0,2,0,0,0,0|2,0,0]=4 4704 B12R0.240 CC[C@H](C)CC(=O)CCSC(=O)C 1458a_100000048949_100009816398 [0,2,0,0,0,0|2,0,0]=4 4705 B12R0.240 CC[C@H](C)CC(=O)COCC(=O)N 1458a_100011219004_100009816398 [0,2,0,0,0,0|2,0,0]=4 4706 B12R0.240 CC[C@H](C)CN(C)CCCC(=O)O 269956a_100000719178_100009816398 [0,2,0,0,0,0|2,0,0]=4 4707 B12R0.240 CN(CCCC(=O)O)CC(O)CO 269956a_100000719178_100011219619 [0,2,0,0,0,0|2,0,0]=4 4708 B12R0.240 CN(CCCC(=O)O)C[C@@H](O)CF 269956a_100000719178_100015614560 [0,2,0,0,0,0|2,0,0]=4 4709 B12R0.240 CN(CCCC(=O)O)C[C@@H](O)CO 269956a_100000719178_100009815848 [0,2,0,0,0,0|2,0,0]=4 4710 B12R0.240 COC(=O)CC(=O)CCCC(=O)C 1458a_100000211351_100011215641 [0,2,0,0,0,0|1,0,1]=4 4711 B12R0.240 COC(=O)CC(=O)CCCC(=O)N 1458a_100000211351_100102525003 [0,2,0,0,0,0|1,0,1]=4 4712 B12R0.240 COC(=O)CC(=O)CNCC(=O)O 269956a_100016091260_100000210525 [0,2,0,0,0,0|1,0,1]=4 4713 B12R0.240 C[C@@H](CO)CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000059175 [0,2,0,0,0,0|1,0,1]=4 4714 B12R0.240 C[C@@H](CO)CC(=O)CCNC(=O)N 1458a_100000181464_100000059175 [0,2,0,0,0,0|2,0,0]=4 4715 B12R0.240 C[C@@H](CO)CC(=O)COCC(=O)N 1458a_100011219004_100000059175 [0,2,0,0,0,0|2,0,0]=4 4716 B12R0.240 C[C@@H](CO)CN(C)CCCC(=O)O 269956a_100000719178_100000059175 [0,2,0,0,0,0|2,0,0]=4 4717 B12R0.241 C=C(C)CC(=O)CCCC(=O)OC 1458a_100000239890_100000748629 [0,2,0,0,0,0|0,0,1]=3 4718 B12R0.241 C=C(C)CC(=O)CSCC(=O)OC 1458a_100000191316_100000748629 [0,2,0,0,0,0|1,0,1]=4 4719 B12R0.241 C=C(F)CC(=O)CCCC(=O)OC 1458a_100000239890_100009893438 [0,2,0,0,0,0|0,0,2]=4 4720 B12R0.241 C=CC(=O)OCCC(=O)CC(C)C 1458a_100000065099_100000210624 [0,2,0,0,0,0|2,0,0]=4 4721 B12R0.241 C=CC(=O)OCCC(=O)CC(C)C 1458a_100000210554_100009813456 [0,2,0,0,0,0|2,0,0]=4 4722 B12R0.241 C=CC(=O)OCCC(=O)CC(C)O 1458a_100000065099_100011218427 [0,2,0,0,0,0|2,0,0]=4 4723 B12R0.241 C=CC(=O)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100009813456 [0,2,0,0,0,0|2,0,0]=4 4724 B12R0.241 CC(=O)CC(=O)OCCC(=O)CO 1458a_100000210174_100000102702 [0,2,0,0,0,0|1,0,1]=4 4725 B12R0.241 CC(C)CC(=O)CCCN(C)N=O 1458a_200000076914_100000210624 [0,2,0,0,0,0|2,0,0]=4 4726 B12R0.241 CC(O)CC(=O)CCCN(C)N=O 1458a_200000076914_100011218427 [0,2,0,0,0,0|2,0,0]=4 4727 B12R0.241 CNC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100000741757 [0,2,0,0,0,0|1,0,0]=3 4728 B12R0.241 CNC(=O)CCCC(=O)CN(C)C 1458a_100000750896_100000741757 [0,2,0,0,0,0|2,0,0]=4 4729 B12R0.241 CNC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000741757 [0,2,0,0,0,0|1,0,0]=3 4730 B12R0.241 CNC(=O)CCCC(=O)C[S+](C)C 1458a_200159257847_100000741757 [0,2,0,0,0,0|2,0,0]=4 4731 B12R0.241 CNC(=O)CCNC(=O)CC(C)C 11a_100000738227_100000210554 [0,2,0,0,0,0|2,0,0]=4 4732 B12R0.241 CNC(=O)CCNC(=O)CC(C)C 240690a_100000738227_100000210554 [0,2,0,0,0,0|2,0,0]=4 4733 B12R0.241 CNC(=O)CCNC(=O)CC(C)C 527a_100000738227_100000210554 [0,2,0,0,0,0|2,0,0]=4 4734 B12R0.241 CNC(=O)CCNC(=O)C[C@@H](C)O 240690a_100000738227_100011933948 [0,2,0,0,0,0|2,0,0]=4 4735 B12R0.241 CNC(=O)OCCC(=O)CC(C)C 1458a_100000210554_200011997002 [0,2,0,0,0,0|2,0,0]=4 4736 B12R0.241 CNC(=O)OCCC(=O)C[C@@H](C)O 1458a_100011933948_200011997002 [0,2,0,0,0,0|2,0,0]=4 4737 B12R0.241 COC(=O)CCCC(=O)C=C(C)C 1458a_100000211388_100011218270 [0,2,0,0,0,0|0,0,2]=4 4738 B12R0.241 COC(=O)CCCC(=O)C=C(C)Cl 1458a_200042562850_100011218270 [0,2,0,0,0,0|0,0,2]=4 4739 B12R0.241 COC(=O)CCCC(=O)C=C(C)I 1458a_100025716642_100011218270 [0,2,0,0,0,0|0,0,2]=4 4740 B12R0.241 COC(=O)CCCC(=O)CC(=O)N 1458a_100000239890_100000187820 [0,2,0,0,0,0|1,0,1]=4 4741 B12R0.241 COC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100011218270 [0,2,0,0,0,0|1,0,1]=4 4742 B12R0.241 COC(=O)CCCC(=O)CC(=O)[O-] 1458a_100000239890_100020667443 [0,2,0,0,0,0|1,0,1]=4 4743 B12R0.241 COC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011218270 [0,2,0,0,0,0|0,0,0]=2 4744 B12R0.241 COC(=O)CCCC(=O)CC(C)C 1458a_100000239890_100000210624 [0,2,0,0,0,0|0,0,0]=2 4745 B12R0.241 COC(=O)CCCC(=O)CC(C)O 1458a_100000239890_100011218427 [0,2,0,0,0,0|0,0,0]=2 4746 B12R0.241 COC(=O)CCCC(=O)CC(F)F 1458a_100000239890_100011934356 [0,2,0,0,0,0|1,0,0]=3 4747 B12R0.241 COC(=O)CCCC(=O)CN(C)C 1458a_100000750896_100011218270 [0,2,0,0,0,0|1,0,0]=3 4748 B12R0.241 COC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011218270 [0,2,0,0,0,0|0,0,0]=2 4749 B12R0.241 COC(=O)CCCC(=O)C[N+](=O)[O-] 1458a_100000239890_100000761209 [0,2,0,0,0,0|2,0,0]=4 4750 B12R0.241 COC(=O)CCCC(=O)C[S+](C)C 1458a_200159257847_100011218270 [0,2,0,0,0,0|1,0,0]=3 4751 B12R0.241 COC(=O)CCCC(=O)NC(C)C 11a_100138425928_100000239890 [0,2,0,0,0,0|1,0,0]=3 4752 B12R0.241 COC(=O)CCCC(=O)NC(C)C 1626a_100138425928_100000239890 [0,2,0,0,0,0|1,0,0]=3 4753 B12R0.241 COC(=O)CCCC(=O)NC(C)C 240690a_100138425928_100000239890 [0,2,0,0,0,0|1,0,0]=3 4754 B12R0.241 COC(=O)CCCC(=O)NC(C)C 527a_100138425928_100000239890 [0,2,0,0,0,0|1,0,0]=3 4755 B12R0.241 COC(=O)CCCN(C)CC(C)C 2230a_100000747067_100011218270 [0,2,0,0,0,0|2,0,0]=4 4756 B12R0.241 COC(=O)CCCN(C)CC(C)C 269982a_100000739225_100000210624 [0,2,0,0,0,0|2,0,0]=4 4757 B12R0.241 COC(=O)CCCN(C)CC(C)C 269982a_100000747067_100011218270 [0,2,0,0,0,0|2,0,0]=4 4758 B12R0.241 COC(=O)CCCN(C)CC(C)O 2230a_100000227577_100011218270 [0,2,0,0,0,0|2,0,0]=4 4759 B12R0.241 COC(=O)CCCN(C)CC(C)O 269982a_100000227577_100011218270 [0,2,0,0,0,0|2,0,0]=4 4760 B12R0.241 COC(=O)CCCN(C)CC(C)O 269982a_100000739225_100011218427 [0,2,0,0,0,0|2,0,0]=4 4761 B12R0.241 COC(=O)CCCN(C)C[C@@H](C)O 269982a_100000739225_100009817552 [0,2,0,0,0,0|2,0,0]=4 4762 B12R0.241 COC(=O)CCNC(=O)CC(=O)C 1458a_100000070787_100000230212 [0,2,0,0,0,0|1,0,1]=4 4763 B12R0.241 COC(=O)CCNC(=O)CC(C)C 188690a_100000683876_100000210554 [0,2,0,0,0,0|1,0,0]=3 4764 B12R0.241 COC(=O)CCNC(=O)CN(C)C 188690a_100000683876_100000750896 [0,2,0,0,0,0|2,0,0]=4 4765 B12R0.241 COC(=O)CCNC(=O)CN(C)C 2230a_100102631434_100000230212 [0,2,0,0,0,0|2,0,0]=4 4766 B12R0.241 COC(=O)CCNC(=O)CN(C)C 269982a_100102631434_100000230212 [0,2,0,0,0,0|2,0,0]=4 4767 B12R0.241 COC(=O)CCNC(=O)C[C@@H](C)O 188690a_100000683876_100011933948 [0,2,0,0,0,0|1,0,0]=3 4768 B12R0.241 COC(=O)CCNC(=O)C[S+](C)C 188690a_100000683876_200159257847 [0,2,0,0,0,0|2,0,0]=4 4769 B12R0.241 COC(=O)CNCC(=O)NC(C)C 2230a_100000168517_100000747449 [0,2,0,0,0,0|2,0,0]=4 4770 B12R0.241 COC(=O)CSCC(=O)CC(C)C 1458a_100000191316_100000210624 [0,2,0,0,0,0|1,0,0]=3 4771 B12R0.241 COC(=O)CSCC(=O)CC(C)O 1458a_100000191316_100011218427 [0,2,0,0,0,0|1,0,0]=3 4772 B12R0.241 COC(=O)CSCC(=O)CC(F)F 1458a_100000191316_100011934356 [0,2,0,0,0,0|2,0,0]=4 4773 B12R0.241 COC(=O)CSCC(=O)NC(C)C 11a_100138425928_100000191316 [0,2,0,0,0,0|2,0,0]=4 4774 B12R0.241 COC(=O)CSCC(=O)NC(C)C 1626a_100138425928_100000191316 [0,2,0,0,0,0|2,0,0]=4 4775 B12R0.241 COC(=O)CSCC(=O)NC(C)C 240690a_100138425928_100000191316 [0,2,0,0,0,0|2,0,0]=4 4776 B12R0.241 COC(=O)CSCC(=O)NC(C)C 62a_100000183996_100000747449 [0,2,0,0,0,0|2,0,0]=4 4777 B12R0.241 COC(=O)CSCC(=O)NC(C)C 62a_100000747449_100000183996 [0,2,0,0,0,0|2,0,0]=4 4778 B12R0.241 COC(=O)CSCC(=O)OC(C)C 62a_100000747449_100011215430 [0,2,0,0,0,0|2,0,0]=4 4779 B12R0.241 COC(=O)CSCC(=O)OC(C)C 62a_100011215430_100000747449 [0,2,0,0,0,0|2,0,0]=4 4780 B12R0.258 CC(=O)SC[C@@H](C)C(=O)CC(C)C 1458a_200015407212_100000210624 [0,2,0,0,0,0|2,0,0]=4 4781 B12R0.258 CC(=O)SC[C@@H](C)C(=O)CC(C)O 1458a_200015407212_100011218427 [0,2,0,0,0,0|2,0,0]=4 4782 B12R0.258 CC(C)CC(=O)N(C)CCC(=O)N 11a_100000730477_100000210554 [0,2,0,0,0,0|2,0,0]=4 4783 B12R0.258 CC(C)CC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210554 [0,2,0,0,0,0|2,0,0]=4 4784 B12R0.258 CC(C)CC(=O)N(C)CCC(=O)N 527a_100000730477_100000210554 [0,2,0,0,0,0|2,0,0]=4 4785 B12R0.258 CC(C)NC(=O)C(C)NCC(=O)O 269956a_100016091260_100000195394 [0,2,0,0,0,0|2,0,0]=4 4786 B12R0.258 C[C@@H](O)CC(=O)N(C)CCC(=O)N 240690a_100000730477_100011933948 [0,2,0,0,0,0|2,0,0]=4 4787 B12R0.686 CC(=O)CCCC(=O)C(C)C(C)C 1458a_100000755409_100011215641 [0,2,0,0,0,0|1,0,0]=3 4788 B12R0.686 CC(=O)CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100011215641 [0,2,0,0,0,0|2,0,0]=4 4789 B12R0.686 CC(=O)CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215641 [0,2,0,0,0,0|1,0,0]=3 4790 B12R0.686 CC(=O)NCCC(=O)C(C)C(C)C 1458a_100000755409_100000189650 [0,2,0,0,0,0|2,0,0]=4 4791 B12R0.686 CC(=O)NCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000189650 [0,2,0,0,0,0|2,0,0]=4 4792 B12R0.686 CC(=O)OCCC(=O)C(C)C(C)C 1458a_100000755409_100009814007 [0,2,0,0,0,0|2,0,0]=4 4793 B12R0.686 CC(=O)OCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100009814007 [0,2,0,0,0,0|2,0,0]=4 4794 B12R0.686 CC(C)C(C)C(=O)CCCC(=O)N 1458a_100000755409_100102525003 [0,2,0,0,0,0|1,0,0]=3 4795 B12R0.686 CC(C)C(C)C(=O)CCNC(=O)N 1458a_100000755409_200000034859 [0,2,0,0,0,0|2,0,0]=4 4796 B12R0.686 CC(C)C(C)C(=O)CCOC(=O)N 1458a_100000755409_200011214921 [0,2,0,0,0,0|2,0,0]=4 4797 B12R0.686 CC(C)C(C)C(=O)NCCC(=O)N 11a_100000740010_100000755409 [0,2,0,0,0,0|2,0,0]=4 4798 B12R0.686 CC(C)C(C)C(=O)NCCC(=O)N 240690a_100000740010_100000755409 [0,2,0,0,0,0|2,0,0]=4 4799 B12R0.686 CC(C)C(C)C(=O)NCCC(=O)N 527a_100000740010_100000755409 [0,2,0,0,0,0|2,0,0]=4 4800 B12R0.686 CC(C)N(C)C(=O)CNCC(=O)O 269956a_100016091260_100000230190 [0,2,0,0,0,0|2,0,0]=4 4801 B12R0.686 CC(C)[C@@H](O)C(=O)CCCC(=O)N 1458a_100000691806_100102525003 [0,2,0,0,0,0|1,0,0]=3 4802 B12R0.686 CC(C)[C@@H](O)C(=O)CCNC(=O)N 1458a_100000691806_200000034859 [0,2,0,0,0,0|2,0,0]=4 4803 B12R0.686 CC(C)[C@@H](O)C(=O)CCOC(=O)N 1458a_100000691806_200011214921 [0,2,0,0,0,0|2,0,0]=4 4804 B12R0.686 CC(C)[C@@H](O)C(=O)NCCC(=O)N 240690a_100000740010_100000691806 [0,2,0,0,0,0|2,0,0]=4 4805 B12R0.686 CC(O)CCCC(=O)C(C)C(C)C 1458a_100000755409_200000718107 [0,2,0,0,0,0|1,0,1]=4 4806 B12R0.686 CC(O)CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_200000718107 [0,2,0,0,0,0|1,0,1]=4 4807 B12R0.686 C[C@@H](C(=O)CCCC(=O)N)N(C)C 1458a_100009822176_100102525003 [0,2,0,0,0,0|2,0,0]=4 4808 B12R0.687 CC(=O)N(C)CCC(=O)CC(C)C 1458a_100011216537_100000210624 [0,2,0,0,0,0|2,0,0]=4 4809 B12R0.687 CC(=O)N(C)CCC(=O)CC(C)O 1458a_100011216537_100011218427 [0,2,0,0,0,0|2,0,0]=4 4810 B12R0.687 CC(C)NC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183996 [0,2,0,0,0,0|2,0,0]=4 4811 B12R0.687 CC(C)OC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011215430 [0,2,0,0,0,0|2,0,0]=4 4812 B12R0.229 CCCN(CC)CCCC(=O)OC 2230a_100000226822_100011218270 [0,2,0,0,0,0|2,0,0]=4 4813 B12R0.229 CCCN(CC)CCCC(=O)OC 269982a_100000226822_100011218270 [0,2,0,0,0,0|2,0,0]=4 4814 B12R0.76 CCNC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000230173 [0,2,0,0,0,0|2,0,0]=4 4815 B12R0.77 CCCC(=O)N(CC)CCC(=O)N 11a_100020645749_100000211992 [0,2,0,0,0,0|2,0,0]=4 4816 B12R0.77 CCCC(=O)N(CC)CCC(=O)N 1626a_100020645749_100000211992 [0,2,0,0,0,0|2,0,0]=4 4817 B12R0.77 CCCC(=O)N(CC)CCC(=O)N 240690a_100020645749_100000211992 [0,2,0,0,0,0|2,0,0]=4 4818 B12R0.77 CCCC(=O)N(CC)CCC(=O)N 527a_100020645749_100000211992 [0,2,0,0,0,0|2,0,0]=4 4819 B12R0.88 CCC(C)C(=O)N(C)CCC(=O)N 11a_100000730477_100011192722 [0,2,0,0,0,0|2,0,0]=4 4820 B12R0.88 CCC(C)C(=O)N(C)CCC(=O)N 240690a_100000730477_100011192722 [0,2,0,0,0,0|2,0,0]=4 4821 B12R0.88 CCC(C)C(=O)N(C)CCC(=O)N 527a_100000730477_100011192722 [0,2,0,0,0,0|2,0,0]=4 4822 B12R0.88 CCC(C)C(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000758301 [0,2,0,0,0,0|2,0,0]=4 4823 B12R0.88 CCC(O)C(=O)N(C)CCC(=O)N 240690a_100000730477_100011196387 [0,2,0,0,0,0|2,0,0]=4 4824 B12R0.88 CCN(C)C(=O)C(C)NCC(=O)O 269956a_100016091260_200012002205 [0,2,0,0,0,0|2,0,0]=4 4825 B12R0.98 CC(=O)SC[C@@H](C)C(=O)CCCF 1458a_200015407212_100011934791 [0,2,0,0,0,0|2,0,0]=4 4826 B12R0.98 CC(=O)SC[C@@H](C)C(=O)CCCO 1458a_200015407212_100011215043 [0,2,0,0,0,0|2,0,0]=4 4827 B12R0.98 CCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210183 [0,2,0,0,0,0|2,0,0]=4 4828 B12R0.98 CCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210183 [0,2,0,0,0,0|2,0,0]=4 4829 B12R0.98 CCCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210183 [0,2,0,0,0,0|2,0,0]=4 4830 B12R0.98 CCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210211 [0,2,0,0,0,0|2,0,0]=4 4831 B12R0.98 CCCNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000230305 [0,2,0,0,0,0|2,0,0]=4 4832 B12R0.98 CCCNC(=O)C(C)NCC(=O)N 2230a_100025744714_100000747473 [0,2,0,0,0,0|2,0,0]=4 4833 B12R0.98 CCCNC(=O)C(C)NCC(=O)N 34a_100025744714_100000187820 [0,2,0,0,0,0|2,0,0]=4 4834 B12R0.98 CCCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000230305 [0,2,0,0,0,0|1,0,0]=3 4835 B12R0.98 CCCNC(=O)C(C)NCC(=O)[O-] 34a_100025744714_100020667443 [0,2,0,0,0,0|1,0,1]=4 4836 B12R0.98 CCCNC(=O)C(C)OCC(=O)C 34a_100000211253_100000230305 [0,2,0,0,0,0|2,0,0]=4 4837 B12R0.98 CCCNC(=O)C(C)SCC(=O)N 62a_100000230305_100000747473 [0,2,0,0,0,0|2,0,0]=4 4838 B12R0.98 CCCNC(=O)C(C)SCC(=O)N 62a_100000747473_100000230305 [0,2,0,0,0,0|2,0,0]=4 4839 B12R0.98 CCCNC(=O)C(C)SCC(=O)[O-] 62a_100000230305_100020667443 [0,2,0,0,0,0|1,0,1]=4 4840 B12R0.98 CCCNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000230305 [0,2,0,0,0,0|1,0,1]=4 4841 B12R0.98 CCCNC(=O)N(C)CCC(=O)N 2708a_100020643023_100000730477 [0,2,0,0,0,0|2,0,0]=4 4842 B12R0.98 CCCNC(=O)N(C)CCC(=O)N 273464a_100020643023_100000730477 [0,2,0,0,0,0|2,0,0]=4 4843 B12R0.98 CCCNC(=O)[C@H](C)CSC(=O)C 11a_100020643023_200015407212 [0,2,0,0,0,0|2,0,0]=4 4844 B12R0.98 CCCNC(=O)[C@H](C)CSC(=O)C 1626a_100020643023_200015407212 [0,2,0,0,0,0|2,0,0]=4 4845 B12R0.98 CCCNC(=O)[C@H](C)CSC(=O)C 240690a_100020643023_200015407212 [0,2,0,0,0,0|2,0,0]=4 4846 B12R0.98 CCCNC(=O)[C@H](C)CSC(=O)C 527a_100020643023_200015407212 [0,2,0,0,0,0|2,0,0]=4 4847 B12R0.98 CCCOC(=O)C(C)NCC(=O)N 2230a_100000711301_100000760410 [0,2,0,0,0,0|2,0,0]=4 4848 B12R0.98 CCCOC(=O)C(C)NCC(=O)O 269956a_100016091260_100000760410 [0,2,0,0,0,0|1,0,0]=3 4849 B12R0.98 CCCOC(=O)C(C)OCC(=O)C 34a_100000211253_100000760410 [0,2,0,0,0,0|2,0,0]=4 4850 B12R0.98 CCCOC(=O)C(C)OCC(=O)N 34a_100000037348_100000187820 [0,2,0,0,0,0|2,0,0]=4 4851 B12R0.98 CCCOC(=O)C(C)OCC(=O)N 7a_100000037348_100000187820 [0,2,0,0,0,0|2,0,0]=4 4852 B12R0.98 CCCOC(=O)C(C)OCC(=O)[O-] 34a_100000037348_100020667443 [0,2,0,0,0,0|1,0,1]=4 4853 B12R0.98 CCCOC(=O)C(C)SCC(=O)N 62a_100000747473_100000760410 [0,2,0,0,0,0|2,0,0]=4 4854 B12R0.98 CCCOC(=O)C(C)SCC(=O)N 62a_100000760410_100000747473 [0,2,0,0,0,0|2,0,0]=4 4855 B12R0.98 CCCOC(=O)C(C)SCC(=O)[O-] 62a_100000760410_100020667443 [0,2,0,0,0,0|1,0,1]=4 4856 B12R0.98 CCCOC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000760410 [0,2,0,0,0,0|1,0,1]=4 4857 B12R0.98 CCOCC(=O)N(C)CCC(=O)N 11a_100000730477_100000211967 [0,2,0,0,0,0|2,0,0]=4 4858 B12R0.98 CCOCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000211967 [0,2,0,0,0,0|2,0,0]=4 4859 B12R0.98 CCOCC(=O)N(C)CCC(=O)N 527a_100000730477_100000211967 [0,2,0,0,0,0|2,0,0]=4 4860 B12R0.98 CCSCC(=O)N(C)CCC(=O)N 11a_100000730477_100000230394 [0,2,0,0,0,0|2,0,0]=4 4861 B12R0.98 CCSCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000230394 [0,2,0,0,0,0|2,0,0]=4 4862 B12R0.98 CCSCC(=O)N(C)CCC(=O)N 527a_100000730477_100000230394 [0,2,0,0,0,0|2,0,0]=4 4863 B12R0.98 COCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000749529 [0,2,0,0,0,0|2,0,0]=4 4864 B12R0.98 COCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000749529 [0,2,0,0,0,0|2,0,0]=4 4865 B12R0.98 COCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000749529 [0,2,0,0,0,0|2,0,0]=4 4866 B12R0.98 COCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000233755 [0,2,0,0,0,0|2,0,0]=4 4867 B12R0.98 CSCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000174002 [0,2,0,0,0,0|2,0,0]=4 4868 B12R0.98 CSCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000174002 [0,2,0,0,0,0|2,0,0]=4 4869 B12R0.98 CSCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000174002 [0,2,0,0,0,0|2,0,0]=4 4870 B12R0.98 CSCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000751147 [0,2,0,0,0,0|2,0,0]=4 4871 B12R0.193 CCCC(=O)N(C)CCC(=O)NC 11a_100000750875_100000211992 [0,2,0,0,0,0|2,0,0]=4 4872 B12R0.193 CCCC(=O)N(C)CCC(=O)NC 240690a_100000750875_100000211992 [0,2,0,0,0,0|2,0,0]=4 4873 B12R0.193 CCCC(=O)N(C)CCC(=O)NC 527a_100000750875_100000211992 [0,2,0,0,0,0|2,0,0]=4 4874 B12R0.193 CCCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000211992 [0,2,0,0,0,0|1,0,0]=3 4875 B12R0.193 CCCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000211992 [0,2,0,0,0,0|1,0,0]=3 4876 B12R0.193 CCCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000211992 [0,2,0,0,0,0|1,0,0]=3 4877 B12R0.193 CCCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000211992 [0,2,0,0,0,0|1,0,0]=3 4878 B12R0.193 CCNC(=O)C(C)NCC(=O)OC 2230a_100000736553_100000747449 [0,2,0,0,0,0|2,0,0]=4 4879 B12R0.193 CCNC(=O)C(C)NCC(=O)OC 34a_100000736553_100000747449 [0,2,0,0,0,0|2,0,0]=4 4880 B12R0.193 CCNC(=O)C(C)SCC(=O)OC 62a_100000230173_100000747449 [0,2,0,0,0,0|2,0,0]=4 4881 B12R0.193 CCNC(=O)C(C)SCC(=O)OC 62a_100000747449_100000230173 [0,2,0,0,0,0|2,0,0]=4 4882 B12R0.193 CCOC(=O)C(C)SCC(=O)OC 62a_100000747449_100011216346 [0,2,0,0,0,0|2,0,0]=4 4883 B12R0.193 CCOC(=O)C(C)SCC(=O)OC 62a_100011216346_100000747449 [0,2,0,0,0,0|2,0,0]=4 4884 B12R0.193 CCOC(=O)C(F)SCC(=O)OC 62a_100000747449_100000760018 [0,2,0,0,0,0|2,0,0]=4 4885 B12R0.193 CCOC(=O)C(F)SCC(=O)OC 62a_100000760018_100000747449 [0,2,0,0,0,0|2,0,0]=4 4886 B12R0.193 CCOC(=O)[C@H](C)OCC(=O)OC 7a_100000751109_100000747449 [0,2,0,0,0,0|2,0,0]=4 4887 B12R0.193 CCSC(=O)[C@H](C)NCC(=O)OC 2230a_100103168634_100000747449 [0,2,0,0,0,0|2,0,0]=4 4888 B12R0.193 COC(=O)CCN(C)C(=O)CCO 240690a_100025711912_100011216618 [0,2,0,0,0,0|2,0,0]=4 4889 B12R0.193 COC(=O)CCN(C)C(=O)CSC 11a_100025711912_100000184570 [0,2,0,0,0,0|2,0,0]=4 4890 B12R0.193 COC(=O)CCN(C)C(=O)CSC 1626a_100025711912_100000184570 [0,2,0,0,0,0|2,0,0]=4 4891 B12R0.193 COC(=O)CCN(C)C(=O)CSC 240690a_100025711912_100000184570 [0,2,0,0,0,0|2,0,0]=4 4892 B12R0.193 COC(=O)CCN(C)C(=O)CSC 527a_100025711912_100000184570 [0,2,0,0,0,0|2,0,0]=4 4893 B12R0.193 COCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000210968 [0,2,0,0,0,0|2,0,0]=4 4894 B12R0.193 COCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000210968 [0,2,0,0,0,0|2,0,0]=4 4895 B12R0.193 COCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000210968 [0,2,0,0,0,0|2,0,0]=4 4896 B12R0.193 COCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000210968 [0,2,0,0,0,0|2,0,0]=4 4897 B12R0.17 C=C[C@H](NCC(=O)CCC)C(=O)O 269956a_100016992060_100000747444 [0,2,0,0,0,0|1,0,0]=3 4898 B12R0.17 C=C[C@H](NCC(=O)NCC)C(=O)O 269956a_100016992060_100000183381 [0,2,0,0,0,0|2,0,0]=4 4899 B12R0.17 C=C[C@H](NCC(=O)OCC)C(=O)O 269956a_100016992060_100000188475 [0,2,0,0,0,0|2,0,0]=4 4900 B12R0.17 CCCC(=O)CNC(C#N)C(=O)N 2230a_100000039599_100000747444 [0,2,0,0,0,0|2,0,0]=4 4901 B12R0.17 CCCC(=O)CNC(CC)C(=O)N 2230a_100000733705_100000747444 [0,2,0,0,0,0|2,0,0]=4 4902 B12R0.17 CCCC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747444 [0,2,0,0,0,0|1,0,0]=3 4903 B12R0.17 CCCC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000747444 [0,2,0,0,0,0|2,0,0]=4 4904 B12R0.17 CCCC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000747444 [0,2,0,0,0,0|1,0,0]=3 4905 B12R0.17 CCCC(=O)CSC(CC)C(=O)N 62a_100000747444_100000750255 [0,2,0,0,0,0|2,0,0]=4 4906 B12R0.17 CCCC(=O)CSC(CC)C(=O)N 62a_100000750255_100000747444 [0,2,0,0,0,0|2,0,0]=4 4907 B12R0.17 CCNC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000183381 [0,2,0,0,0,0|2,0,0]=4 4908 B12R0.17 CCNC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000183381 [0,2,0,0,0,0|2,0,0]=4 4909 B12R0.17 CCOC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000188475 [0,2,0,0,0,0|2,0,0]=4 4910 B12R0.17 CCOC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000188475 [0,2,0,0,0,0|2,0,0]=4 4911 B12R0.48 CC(=O)N(C)CCC(=O)CCCF 1458a_100011216537_100011934791 [0,2,0,0,0,0|2,0,0]=4 4912 B12R0.48 CC(=O)N(C)CCC(=O)CCCO 1458a_100011216537_100011215043 [0,2,0,0,0,0|2,0,0]=4 4913 B12R0.48 CCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210211 [0,2,0,0,0,0|2,0,0]=4 4914 B12R0.48 CCCNC(=O)CCN(C)C(=O)C 11a_100020643023_100011216537 [0,2,0,0,0,0|2,0,0]=4 4915 B12R0.48 CCCNC(=O)CCN(C)C(=O)C 1626a_100020643023_100011216537 [0,2,0,0,0,0|2,0,0]=4 4916 B12R0.48 CCCNC(=O)CCN(C)C(=O)C 240690a_100020643023_100011216537 [0,2,0,0,0,0|2,0,0]=4 4917 B12R0.48 CCCNC(=O)CNC(C)C(=O)C 2230a_100000174927_100009814033 [0,2,0,0,0,0|2,0,0]=4 4918 B12R0.48 CCCNC(=O)CNC(C)C(=O)N 2230a_100000174927_100000702099 [0,2,0,0,0,0|2,0,0]=4 4919 B12R0.48 CCCNC(=O)CNC(F)C(=O)N 2230a_100000174927_100009813875 [0,2,0,0,0,0|2,0,0]=4 4920 B12R0.48 CCCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183358 [0,2,0,0,0,0|1,0,0]=3 4921 B12R0.48 CCCNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183358 [0,2,0,0,0,0|2,0,0]=4 4922 B12R0.48 CCCNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183358 [0,2,0,0,0,0|2,0,0]=4 4923 B12R0.48 CCCNC(=O)COC(C)C(=O)C 34a_100000212229_100000183358 [0,2,0,0,0,0|2,0,0]=4 4924 B12R0.48 CCCNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183358 [0,2,0,0,0,0|1,0,1]=4 4925 B12R0.48 CCCNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183358 [0,2,0,0,0,0|2,0,0]=4 4926 B12R0.48 CCCNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183358 [0,2,0,0,0,0|2,0,0]=4 4927 B12R0.48 CCCNC(=O)CSC(C)C(=O)C 62a_100000183358_100009814033 [0,2,0,0,0,0|2,0,0]=4 4928 B12R0.48 CCCNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183358 [0,2,0,0,0,0|2,0,0]=4 4929 B12R0.48 CCCNC(=O)CSC(C)C(=O)N 62a_100000183358_100000702099 [0,2,0,0,0,0|2,0,0]=4 4930 B12R0.48 CCCNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183358 [0,2,0,0,0,0|2,0,0]=4 4931 B12R0.48 CCCNC(=O)CSC(F)C(=O)N 62a_100000183358_100009813875 [0,2,0,0,0,0|2,0,0]=4 4932 B12R0.48 CCCNC(=O)CSC(F)C(=O)N 62a_100009813875_100000183358 [0,2,0,0,0,0|2,0,0]=4 4933 B12R0.48 CCCNC(=O)CSC(F)C(=O)[O-] 62a_100000183358_100020610796 [0,2,0,0,0,0|1,0,1]=4 4934 B12R0.48 CCCNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000183358 [0,2,0,0,0,0|1,0,1]=4 4935 B12R0.48 CCCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_200011215008 [0,2,0,0,0,0|1,0,0]=3 4936 B12R0.48 CCCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_200011215008 [0,2,0,0,0,0|2,0,0]=4 4937 B12R0.48 CCCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_200011215008 [0,2,0,0,0,0|2,0,0]=4 4938 B12R0.48 CCCOC(=O)COC(C)C(=O)C 34a_100000212229_200011215008 [0,2,0,0,0,0|2,0,0]=4 4939 B12R0.48 CCCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_200011215008 [0,2,0,0,0,0|1,0,1]=4 4940 B12R0.48 CCCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_200011215008 [0,2,0,0,0,0|2,0,0]=4 4941 B12R0.48 CCCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_200011215008 [0,2,0,0,0,0|2,0,0]=4 4942 B12R0.48 CCCOC(=O)CSC(C)C(=O)C 62a_100009814033_200011215008 [0,2,0,0,0,0|2,0,0]=4 4943 B12R0.48 CCCOC(=O)CSC(C)C(=O)C 62a_200011215008_100009814033 [0,2,0,0,0,0|2,0,0]=4 4944 B12R0.48 CCCOC(=O)CSC(C)C(=O)N 62a_100000702099_200011215008 [0,2,0,0,0,0|2,0,0]=4 4945 B12R0.48 CCCOC(=O)CSC(C)C(=O)N 62a_200011215008_100000702099 [0,2,0,0,0,0|2,0,0]=4 4946 B12R0.48 CCCOC(=O)CSC(F)C(=O)N 62a_100009813875_200011215008 [0,2,0,0,0,0|2,0,0]=4 4947 B12R0.48 CCCOC(=O)CSC(F)C(=O)N 62a_200011215008_100009813875 [0,2,0,0,0,0|2,0,0]=4 4948 B12R0.48 CCCOC(=O)CSC(F)C(=O)[O-] 62a_100020610796_200011215008 [0,2,0,0,0,0|1,0,1]=4 4949 B12R0.48 CCCOC(=O)CSC(F)C(=O)[O-] 62a_200011215008_100020610796 [0,2,0,0,0,0|1,0,1]=4 4950 B12R0.48 COCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000233755 [0,2,0,0,0,0|2,0,0]=4 4951 B12R0.48 CSCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000751147 [0,2,0,0,0,0|2,0,0]=4 4952 B12R0.79 C#CC(=O)C(C)CCC(=O)OCC 1458a_100000211873_100000748298 [0,2,0,0,0,0|2,0,0]=4 4953 B12R0.79 C#CCC(=O)CCC(C)C(=O)OC 1458a_100011220946_100000034942 [0,2,0,0,0,0|0,0,2]=4 4954 B12R0.79 C=CC(=O)C(C)CCC(=O)OCC 1458a_100000185746_100000748298 [0,2,0,0,0,0|2,0,0]=4 4955 B12R0.79 C=CCC(=O)CCC(C)C(=O)OC 1458a_100000210193_100000034942 [0,2,0,0,0,0|0,0,2]=4 4956 B12R0.79 CC#CC(=O)CCC(C)C(=O)OC 1458a_100000763181_100000034942 [0,2,0,0,0,0|0,0,2]=4 4957 B12R0.79 CC=CC(=O)CCC(C)C(=O)OC 1458a_100000210699_100000034942 [0,2,0,0,0,0|0,0,2]=4 4958 B12R0.79 CCCC(=O)CCC(C)C(=O)OC 1458a_100000211992_100000034942 [0,2,0,0,0,0|0,0,0]=2 4959 B12R0.79 CCCC(=O)CN[C@H](C)C(=O)NC 2230a_100000684985_100000747444 [0,2,0,0,0,0|2,0,0]=4 4960 B12R0.79 CCCC(=O)CSC(C)C(=O)CC 62a_100000742827_100000747444 [0,2,0,0,0,0|2,0,0]=4 4961 B12R0.79 CCCC(=O)CSC(C)C(=O)CC 62a_100000747444_100000742827 [0,2,0,0,0,0|2,0,0]=4 4962 B12R0.79 CCCC(=O)CSC(C)C(=O)NC 62a_100000209862_100000747444 [0,2,0,0,0,0|2,0,0]=4 4963 B12R0.79 CCCC(=O)CSC(C)C(=O)NC 62a_100000747444_100000731044 [0,2,0,0,0,0|2,0,0]=4 4964 B12R0.79 CCCC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747444 [0,2,0,0,0,0|1,0,0]=3 4965 B12R0.79 CCCC(=O)CSC(C)C(=O)OC 62a_100000747444_100000211248 [0,2,0,0,0,0|1,0,0]=3 4966 B12R0.79 CCCC(=O)CSC(F)C(=O)NC 62a_100000747444_100009813575 [0,2,0,0,0,0|2,0,0]=4 4967 B12R0.79 CCCC(=O)CSC(F)C(=O)NC 62a_100009813575_100000747444 [0,2,0,0,0,0|2,0,0]=4 4968 B12R0.79 CCCC(=O)NCC(C)C(=O)NC 11a_100015187722_100000211992 [0,2,0,0,0,0|2,0,0]=4 4969 B12R0.79 CCCC(=O)NCC(C)C(=O)NC 240690a_100015187722_100000211992 [0,2,0,0,0,0|2,0,0]=4 4970 B12R0.79 CCCC(=O)NCC(C)C(=O)NC 527a_100015187722_100000211992 [0,2,0,0,0,0|2,0,0]=4 4971 B12R0.79 CCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000211992 [0,2,0,0,0,0|1,0,0]=3 4972 B12R0.79 CCCN(C)CCC(C)C(=O)OC 2230a_100000747261_100000034942 [0,2,0,0,0,0|2,0,0]=4 4973 B12R0.79 CCCN(C)CCC(C)C(=O)OC 269982a_100000747261_100000034942 [0,2,0,0,0,0|2,0,0]=4 4974 B12R0.79 CCNC(=O)CNC(C)C(=O)OC 2230a_100016988866_100000211248 [0,2,0,0,0,0|2,0,0]=4 4975 B12R0.79 CCNC(=O)COC(C)C(=O)OC 34a_100011215400_100000183381 [0,2,0,0,0,0|2,0,0]=4 4976 B12R0.79 CCNC(=O)CSC(C)C(=O)OC 62a_100000183381_100000211248 [0,2,0,0,0,0|2,0,0]=4 4977 B12R0.79 CCNC(=O)CSC(C)C(=O)OC 62a_100000211248_100000183381 [0,2,0,0,0,0|2,0,0]=4 4978 B12R0.79 CCOC(=O)CCC(C)C(=O)CC 1458a_100000210414_100000748298 [0,2,0,0,0,0|2,0,0]=4 4979 B12R0.79 CCOC(=O)CCC(C)C(=O)CO 1458a_100000210174_100000748298 [0,2,0,0,0,0|1,0,0]=3 4980 B12R0.79 CCOC(=O)CCN(C)C(=O)CO 240690a_100000745921_100000210174 [0,2,0,0,0,0|2,0,0]=4 4981 B12R0.79 CCOC(=O)CCN(C)C(=O)CO 527a_100000745921_100000210174 [0,2,0,0,0,0|2,0,0]=4 4982 B12R0.79 CCOC(=O)COC(C)C(=O)OC 34a_100011215400_100000188475 [0,2,0,0,0,0|2,0,0]=4 4983 B12R0.79 CCOC(=O)CSC(C)C(=O)OC 62a_100000188475_100000211248 [0,2,0,0,0,0|2,0,0]=4 4984 B12R0.79 CCOC(=O)CSC(C)C(=O)OC 62a_100000211248_100000188475 [0,2,0,0,0,0|2,0,0]=4 4985 B12R0.79 COC(=O)C(C)CCC(=O)CC#N 1458a_100051588842_100000034942 [0,2,0,0,0,0|1,0,1]=4 4986 B12R0.79 COC(=O)C(C)CCC(=O)CCO 1458a_100011216618_100000034942 [0,2,0,0,0,0|1,0,0]=3 4987 B12R0.79 COC(=O)C(C)CCC(=O)CSC 1458a_100000184570_100000034942 [0,2,0,0,0,0|1,0,0]=3 4988 B12R0.79 COC(=O)C(O)CNC(=O)CSC 188690a_100000695228_100000184570 [0,2,0,0,0,0|2,0,0]=4 4989 B12R0.79 COCC(=O)CCC(C)C(=O)OC 1458a_100000210968_100000034942 [0,2,0,0,0,0|1,0,0]=3 4990 B12R0.79 COCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000210968 [0,2,0,0,0,0|2,0,0]=4 4991 B12R0.236 CCC(C)C(=O)CCN(C)C(=O)C 1458a_100011216537_100000758301 [0,2,0,0,0,0|2,0,0]=4 4992 B12R0.236 CCN(C)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000738999 [0,2,0,0,0,0|2,0,0]=4 4993 B12R0.266 CCCC(=O)CNC(C)(C)C(=O)N 2230a_100000743658_100000747444 [0,2,0,0,0,0|2,0,0]=4 4994 B12R0.266 CCCC(=O)COC(C)(C)C(=O)C 7a_100000747739_100000747444 [0,2,0,0,0,0|2,0,0]=4 4995 B12R0.266 CCCC(=O)COC(C)(C)C(=O)N 7a_100011626353_100000747444 [0,2,0,0,0,0|2,0,0]=4 4996 B12R0.266 CCCC(=O)CSC(C)(C)C(=O)C 62a_100000075568_100000747444 [0,2,0,0,0,0|2,0,0]=4 4997 B12R0.266 CCCC(=O)CSC(C)(C)C(=O)C 62a_100000747444_100000075568 [0,2,0,0,0,0|2,0,0]=4 4998 B12R0.266 CCCC(=O)CSC(C)(C)C(=O)N 62a_100000702505_100000747444 [0,2,0,0,0,0|2,0,0]=4 4999 B12R0.266 CCCC(=O)CSC(C)(C)C(=O)N 62a_100000747444_100000702505 [0,2,0,0,0,0|2,0,0]=4 5000 B12R0.266 CCCC(=O)CSC(F)(F)C(=O)N 62a_100000747444_100009811971 [0,2,0,0,0,0|2,0,0]=4 5001 B12R0.266 CCCC(=O)CSC(F)(F)C(=O)N 62a_100009811971_100000747444 [0,2,0,0,0,0|2,0,0]=4 5002 B12R0.266 CCCC(=O)CSC(F)(F)C(=O)[O-] 62a_100000745680_100000747444 [0,2,0,0,0,0|1,0,1]=4 5003 B12R0.266 CCCC(=O)CSC(F)(F)C(=O)[O-] 62a_100000747444_100000745680 [0,2,0,0,0,0|1,0,1]=4 5004 B12R0.266 CCCC(=O)NCC(C)(C)C(=O)N 11a_100000740840_100000211992 [0,2,0,0,0,0|2,0,0]=4 5005 B12R0.266 CCCC(=O)NCC(C)(C)C(=O)N 1626a_100000740840_100000211992 [0,2,0,0,0,0|2,0,0]=4 5006 B12R0.266 CCCC(=O)NCC(C)(C)C(=O)N 240690a_100000740840_100000211992 [0,2,0,0,0,0|2,0,0]=4 5007 B12R0.266 CCCC(=O)NCC(C)(C)C(=O)N 527a_100000740840_100000211992 [0,2,0,0,0,0|2,0,0]=4 5008 B12R0.90 CCC(C)C(=O)CCCS(=O)(=O)C 1458a_100011192722_100000754308 [0,2,0,0,0,0|1,0,1]=4 5009 B12R0.90 CCC(C)C(=O)CCCS(=O)(=O)N 1458a_100000739357_100000758301 [0,2,0,0,0,0|1,0,1]=4 5010 B12R0.90 CCC(C)C(=O)CCCS(=O)(=O)N 1458a_100011192722_100000750626 [0,2,0,0,0,0|1,0,1]=4 5011 B12R0.90 CCC(C)C(=O)CCCS(=O)(=O)[O-] 1458a_100011192722_100009813499 [0,2,0,0,0,0|1,0,1]=4 5012 B12R0.90 CCC(O)C(=O)CCCS(=O)(=O)C 1458a_100011196387_100000754308 [0,2,0,0,0,0|1,0,1]=4 5013 B12R0.90 CCC(O)C(=O)CCCS(=O)(=O)N 1458a_100011196387_100000750626 [0,2,0,0,0,0|1,0,1]=4 5014 B12R0.90 CCC(O)C(=O)CCCS(=O)(=O)[O-] 1458a_100011196387_100009813499 [0,2,0,0,0,0|1,0,1]=4 5015 B12R0.156 C#CC(C)C(=O)CCCC(=O)OC 1458a_100000239890_200000035995 [0,2,0,0,0,0|0,0,2]=4 5016 B12R0.156 C/C=C(\C)/C(=O)CCCC(=O)OC 1458a_100020587367_100011218270 [0,2,0,0,0,0|0,0,2]=4 5017 B12R0.156 C=CC(=O)OCCC(=O)C(C)CC 1458a_100000065099_100000758301 [0,2,0,0,0,0|2,0,0]=4 5018 B12R0.156 C=CC(=O)OCCC(=O)C(C)CC 1458a_100011192722_100009813456 [0,2,0,0,0,0|2,0,0]=4 5019 B12R0.156 C=CC(=O)OCCC(=O)C(O)CC 1458a_100011196387_100009813456 [0,2,0,0,0,0|2,0,0]=4 5020 B12R0.156 C=CC(C)C(=O)CCCC(=O)OC 1458a_100011216780_100011218270 [0,2,0,0,0,0|0,0,2]=4 5021 B12R0.156 CCC(C)C(=O)CCCC(=O)NC 1458a_100011192722_100000741757 [0,2,0,0,0,0|1,0,0]=3 5022 B12R0.156 CCC(C)C(=O)CCCC(=O)OC 1458a_100000239890_100000758301 [0,2,0,0,0,0|0,0,0]=2 5023 B12R0.156 CCC(C)C(=O)CCCC(=O)OC 1458a_100011192722_100011218270 [0,2,0,0,0,0|0,0,0]=2 5024 B12R0.156 CCC(C)C(=O)CCCN(C)N=O 1458a_200000076914_100000758301 [0,2,0,0,0,0|2,0,0]=4 5025 B12R0.156 CCC(C)C(=O)CCOC(=O)NC 1458a_100011192722_200011997002 [0,2,0,0,0,0|2,0,0]=4 5026 B12R0.156 CCC(C)C(=O)CSCC(=O)OC 1458a_100000191316_100000758301 [0,2,0,0,0,0|1,0,0]=3 5027 B12R0.156 CCC(C)C(=O)NCCC(=O)NC 11a_100000738227_100011192722 [0,2,0,0,0,0|2,0,0]=4 5028 B12R0.156 CCC(C)C(=O)NCCC(=O)NC 240690a_100000738227_100011192722 [0,2,0,0,0,0|2,0,0]=4 5029 B12R0.156 CCC(C)C(=O)NCCC(=O)NC 527a_100000738227_100011192722 [0,2,0,0,0,0|2,0,0]=4 5030 B12R0.156 CCC(C)C(=O)NCCC(=O)OC 188690a_100000683876_100011192722 [0,2,0,0,0,0|1,0,0]=3 5031 B12R0.156 CCC(C)N(C)CCCC(=O)OC 2230a_100000741768_100011218270 [0,2,0,0,0,0|2,0,0]=4 5032 B12R0.156 CCC(C)N(C)CCCC(=O)OC 269982a_100000739225_100000758301 [0,2,0,0,0,0|2,0,0]=4 5033 B12R0.156 CCC(C)N(C)CCCC(=O)OC 269982a_100000741768_100011218270 [0,2,0,0,0,0|2,0,0]=4 5034 B12R0.156 CCC(O)C(=O)CCCC(=O)NC 1458a_100011196387_100000741757 [0,2,0,0,0,0|1,0,0]=3 5035 B12R0.156 CCC(O)C(=O)CCCC(=O)OC 1458a_100011196387_100011218270 [0,2,0,0,0,0|0,0,0]=2 5036 B12R0.156 CCC(O)C(=O)CCOC(=O)NC 1458a_100011196387_200011997002 [0,2,0,0,0,0|2,0,0]=4 5037 B12R0.156 CCC(O)C(=O)NCCC(=O)NC 240690a_100000738227_100011196387 [0,2,0,0,0,0|2,0,0]=4 5038 B12R0.156 CCC(O)C(=O)NCCC(=O)OC 188690a_100000683876_100011196387 [0,2,0,0,0,0|1,0,0]=3 5039 B12R0.156 CCN(C)C(=O)CCCC(=O)OC 11a_100000225621_100000239890 [0,2,0,0,0,0|1,0,0]=3 5040 B12R0.156 CCN(C)C(=O)CCCC(=O)OC 1626a_100000225621_100000239890 [0,2,0,0,0,0|1,0,0]=3 5041 B12R0.156 CCN(C)C(=O)CCCC(=O)OC 240690a_100000225621_100000239890 [0,2,0,0,0,0|1,0,0]=3 5042 B12R0.156 CCN(C)C(=O)CCCC(=O)OC 527a_100000225621_100000239890 [0,2,0,0,0,0|1,0,0]=3 5043 B12R0.156 CCN(C)C(=O)CSCC(=O)OC 11a_100000225621_100000191316 [0,2,0,0,0,0|2,0,0]=4 5044 B12R0.156 CCN(C)C(=O)CSCC(=O)OC 1626a_100000225621_100000191316 [0,2,0,0,0,0|2,0,0]=4 5045 B12R0.156 CCN(C)C(=O)CSCC(=O)OC 240690a_100000225621_100000191316 [0,2,0,0,0,0|2,0,0]=4 5046 B12R0.156 CCN(C)C(=O)CSCC(=O)OC 62a_100000738999_100000747449 [0,2,0,0,0,0|2,0,0]=4 5047 B12R0.156 CCN(C)C(=O)CSCC(=O)OC 62a_100000747449_100000738999 [0,2,0,0,0,0|2,0,0]=4 5048 B12R0.156 CNC(=O)C(=O)CCCC(=O)OC 1458a_100011218921_100011218270 [0,2,0,0,0,0|1,0,1]=4 5049 B12R0.156 CNC(=O)CCCC(=O)C(C)OC 1458a_100000743197_100000741757 [0,2,0,0,0,0|2,0,0]=4 5050 B12R0.156 CNC(=O)CCCC(=O)C(C)SC 1458a_100000149566_100000741757 [0,2,0,0,0,0|2,0,0]=4 5051 B12R0.156 CNC(=O)CCCC(=O)C(O)CO 1458a_100011215603_100000741757 [0,2,0,0,0,0|2,0,0]=4 5052 B12R0.156 COC(=O)CCCC(=O)C(C)C#N 1458a_100000239890_100000703298 [0,2,0,0,0,0|1,0,1]=4 5053 B12R0.156 COC(=O)CCCC(=O)C(C)C#N 1458a_100000753662_100011218270 [0,2,0,0,0,0|1,0,1]=4 5054 B12R0.156 COC(=O)CCCC(=O)C(C)OC 1458a_100000743197_100011218270 [0,2,0,0,0,0|1,0,0]=3 5055 B12R0.156 COC(=O)CCCC(=O)C(C)SC 1458a_100000149566_100011218270 [0,2,0,0,0,0|1,0,0]=3 5056 B12R0.156 COC(=O)CCCC(=O)C(O)CO 1458a_100011215603_100011218270 [0,2,0,0,0,0|1,0,0]=3 5057 B12R0.156 COC(=O)CCNC(=O)C(C)OC 188690a_100000683876_100000743197 [0,2,0,0,0,0|2,0,0]=4 5058 B12R0.156 COC(=O)CCNC(=O)C(C)SC 188690a_100000683876_100000149566 [0,2,0,0,0,0|2,0,0]=4 5059 B12R0.156 COC(=O)CCNC(=O)C(O)CO 188690a_100000683876_100011215603 [0,2,0,0,0,0|2,0,0]=4 5060 B12R0.349 CC(=O)CCCC(=O)C(C)(C)CF 1458a_100000138116_100011215641 [0,2,0,0,0,0|2,0,0]=4 5061 B12R0.349 CC(=O)CCCC(=O)C(C)(C)CO 1458a_100000749806_100011215641 [0,2,0,0,0,0|2,0,0]=4 5062 B12R0.349 CC(C)(CF)C(=O)CCCC(=O)N 1458a_100000138116_100102525003 [0,2,0,0,0,0|2,0,0]=4 5063 B12R0.349 CC(C)(CO)C(=O)CCCC(=O)N 1458a_100000749806_100102525003 [0,2,0,0,0,0|2,0,0]=4 5064 B12R0.349 CCC(C)(C)C(=O)CCCC(=O)C 1458a_100000749717_100011215641 [0,2,0,0,0,0|1,0,0]=3 5065 B12R0.349 CCC(C)(C)C(=O)CCCC(=O)N 1458a_100000749717_100102525003 [0,2,0,0,0,0|1,0,0]=3 5066 B12R0.349 CCC(C)(C)C(=O)CCCC(C)O 1458a_100000749717_200000718107 [0,2,0,0,0,0|1,0,1]=4 5067 B12R0.349 CCC(C)(C)C(=O)CCNC(=O)C 1458a_100000749717_100000189650 [0,2,0,0,0,0|2,0,0]=4 5068 B12R0.349 CCC(C)(C)C(=O)CCNC(=O)N 1458a_100000749717_200000034859 [0,2,0,0,0,0|2,0,0]=4 5069 B12R0.349 CCC(C)(C)C(=O)CCOC(=O)C 1458a_100000749717_100009814007 [0,2,0,0,0,0|2,0,0]=4 5070 B12R0.349 CCC(C)(C)C(=O)CCOC(=O)N 1458a_100000749717_200011214921 [0,2,0,0,0,0|2,0,0]=4 5071 B12R0.349 CCC(C)(C)C(=O)NCCC(=O)N 11a_100000740010_100000749717 [0,2,0,0,0,0|2,0,0]=4 5072 B12R0.349 CCC(C)(C)C(=O)NCCC(=O)N 240690a_100000740010_100000749717 [0,2,0,0,0,0|2,0,0]=4 5073 B12R0.349 CCC(C)(C)C(=O)NCCC(=O)N 527a_100000740010_100000749717 [0,2,0,0,0,0|2,0,0]=4 5074 B12R0.349 CCC(C)(C)N(C)CCCC(=O)O 269956a_100000719178_100000032637 [0,2,0,0,0,0|2,0,0]=4 5075 B12R0.349 CCC(C)(O)C(=O)CCCC(=O)C 1458a_100011219770_100011215641 [0,2,0,0,0,0|1,0,0]=3 5076 B12R0.349 CCC(C)(O)C(=O)CCCC(=O)N 1458a_100011219770_100102525003 [0,2,0,0,0,0|1,0,0]=3 5077 B12R0.349 CCC(C)(O)C(=O)CCCC(C)O 1458a_100011219770_200000718107 [0,2,0,0,0,0|1,0,1]=4 5078 B12R0.349 CCC(C)(O)C(=O)CCNC(=O)C 1458a_100011219770_100000189650 [0,2,0,0,0,0|2,0,0]=4 5079 B12R0.349 CCC(C)(O)C(=O)CCNC(=O)N 1458a_100011219770_200000034859 [0,2,0,0,0,0|2,0,0]=4 5080 B12R0.349 CCC(C)(O)C(=O)CCOC(=O)C 1458a_100011219770_100009814007 [0,2,0,0,0,0|2,0,0]=4 5081 B12R0.349 CCC(C)(O)C(=O)CCOC(=O)N 1458a_100011219770_200011214921 [0,2,0,0,0,0|2,0,0]=4 5082 B12R0.349 CCC(C)(O)C(=O)NCCC(=O)N 240690a_100000740010_100011219770 [0,2,0,0,0,0|2,0,0]=4 5083 B12R0.349 CCC(F)(F)C(=O)CCCC(=O)C 1458a_100000061896_100011215641 [0,2,0,0,0,0|1,0,0]=3 5084 B12R0.349 CCC(F)(F)C(=O)CCCC(=O)N 1458a_100000061896_100102525003 [0,2,0,0,0,0|1,0,0]=3 5085 B12R0.349 CCC(F)(F)C(=O)CCCC(C)O 1458a_100000061896_200000718107 [0,2,0,0,0,0|1,0,1]=4 5086 B12R0.349 CCC(F)(F)C(=O)CCNC(=O)C 1458a_100000061896_100000189650 [0,2,0,0,0,0|2,0,0]=4 5087 B12R0.349 CCC(F)(F)C(=O)CCNC(=O)N 1458a_100000061896_200000034859 [0,2,0,0,0,0|2,0,0]=4 5088 B12R0.349 CCC(F)(F)C(=O)CCOC(=O)C 1458a_100000061896_100009814007 [0,2,0,0,0,0|2,0,0]=4 5089 B12R0.349 CCC(F)(F)C(=O)CCOC(=O)N 1458a_100000061896_200011214921 [0,2,0,0,0,0|2,0,0]=4 5090 B12R0.349 CCC(F)(F)C(=O)NCCC(=O)N 11a_100000740010_100000061896 [0,2,0,0,0,0|2,0,0]=4 5091 B12R0.349 CCC(F)(F)C(=O)NCCC(=O)N 240690a_100000740010_100000061896 [0,2,0,0,0,0|2,0,0]=4 5092 B12R0.349 CCC(F)(F)C(=O)NCCC(=O)N 527a_100000740010_100000061896 [0,2,0,0,0,0|2,0,0]=4 5093 B12R0.349 COC(C)(C)C(=O)CCCC(=O)C 1458a_100000753492_100011215641 [0,2,0,0,0,0|2,0,0]=4 5094 B12R0.349 COC(C)(C)C(=O)CCCC(=O)N 1458a_100000753492_100102525003 [0,2,0,0,0,0|2,0,0]=4 5095 B12R0.677 CCC(CC)C(=O)CCCC(=O)C 1458a_100000211163_100011215641 [0,2,0,0,0,0|1,0,0]=3 5096 B12R0.677 CCC(CC)C(=O)CCCC(=O)N 1458a_100000211163_100102525003 [0,2,0,0,0,0|1,0,0]=3 5097 B12R0.677 CCC(CC)C(=O)CCCC(C)O 1458a_100000211163_200000718107 [0,2,0,0,0,0|1,0,1]=4 5098 B12R0.677 CCC(CC)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210505 [0,2,0,0,0,0|1,0,1]=4 5099 B12R0.677 CCC(CC)C(=O)CCNC(=O)C 1458a_100000183196_100000210505 [0,2,0,0,0,0|2,0,0]=4 5100 B12R0.677 CCC(CC)C(=O)CCNC(=O)C 1458a_100000211163_100000189650 [0,2,0,0,0,0|2,0,0]=4 5101 B12R0.677 CCC(CC)C(=O)CCNC(=O)N 1458a_100000181464_100000210505 [0,2,0,0,0,0|2,0,0]=4 5102 B12R0.677 CCC(CC)C(=O)CCNC(=O)N 1458a_100000211163_200000034859 [0,2,0,0,0,0|2,0,0]=4 5103 B12R0.677 CCC(CC)C(=O)CCOC(=O)C 1458a_100000211163_100009814007 [0,2,0,0,0,0|2,0,0]=4 5104 B12R0.677 CCC(CC)C(=O)CCOC(=O)N 1458a_100000211163_200011214921 [0,2,0,0,0,0|2,0,0]=4 5105 B12R0.677 CCC(CC)C(=O)CCSC(=O)C 1458a_100000048949_100000210505 [0,2,0,0,0,0|2,0,0]=4 5106 B12R0.677 CCC(CC)C(=O)COCC(=O)N 1458a_100011219004_100000210505 [0,2,0,0,0,0|2,0,0]=4 5107 B12R0.677 CCC(CC)C(=O)NCCC(=O)N 11a_100000740010_100000211163 [0,2,0,0,0,0|2,0,0]=4 5108 B12R0.677 CCC(CC)C(=O)NCCC(=O)N 240690a_100000740010_100000211163 [0,2,0,0,0,0|2,0,0]=4 5109 B12R0.677 CCC(CC)C(=O)NCCC(=O)N 527a_100000740010_100000211163 [0,2,0,0,0,0|2,0,0]=4 5110 B12R0.677 CCC(CC)N(C)CCCC(=O)O 269956a_100000719178_100000210505 [0,2,0,0,0,0|2,0,0]=4 5111 B12R0.677 CCC(OC)C(=O)CCCC(=O)C 1458a_100000747056_100011215641 [0,2,0,0,0,0|1,0,0]=3 5112 B12R0.677 CCC(OC)C(=O)CCCC(=O)N 1458a_100000747056_100102525003 [0,2,0,0,0,0|1,0,0]=3 5113 B12R0.677 CCC(OC)C(=O)CCCC(C)O 1458a_100000747056_200000718107 [0,2,0,0,0,0|1,0,1]=4 5114 B12R0.677 CCC(OC)C(=O)CCNC(=O)C 1458a_100000747056_100000189650 [0,2,0,0,0,0|2,0,0]=4 5115 B12R0.677 CCC(OC)C(=O)CCNC(=O)N 1458a_100000747056_200000034859 [0,2,0,0,0,0|2,0,0]=4 5116 B12R0.677 CCC(OC)C(=O)CCOC(=O)C 1458a_100000747056_100009814007 [0,2,0,0,0,0|2,0,0]=4 5117 B12R0.677 CCC(OC)C(=O)CCOC(=O)N 1458a_100000747056_200011214921 [0,2,0,0,0,0|2,0,0]=4 5118 B12R0.677 CCC(OC)C(=O)NCCC(=O)N 11a_100000740010_100000747056 [0,2,0,0,0,0|2,0,0]=4 5119 B12R0.677 CCC(OC)C(=O)NCCC(=O)N 240690a_100000740010_100000747056 [0,2,0,0,0,0|2,0,0]=4 5120 B12R0.677 CCC(OC)C(=O)NCCC(=O)N 527a_100000740010_100000747056 [0,2,0,0,0,0|2,0,0]=4 5121 B12R0.677 CCN(CC)C(=O)CCCC(=O)C 1458a_100000070787_100000183999 [0,2,0,0,0,0|2,0,0]=4 5122 B12R0.677 CCN(CC)C(=O)CCCC(=O)C 1458a_100000199555_200000210301 [0,2,0,0,0,0|2,0,0]=4 5123 B12R0.677 CCN(CC)C(=O)CCCC(=O)[13CH3] 1458a_100000199555_200025704644 [0,2,0,0,0,0|2,0,0]=4 5124 B12R0.677 CCN(CC)C(=O)CNCC(=O)O 269956a_100016091260_100000211521 [0,2,0,0,0,0|2,0,0]=4 5125 B12R0.677 COC(OC)C(=O)CCCC(=O)C 1458a_100000046285_100011215641 [0,2,0,0,0,0|2,0,0]=4 5126 B12R0.677 COC(OC)C(=O)CCCC(=O)N 1458a_100000046285_100102525003 [0,2,0,0,0,0|2,0,0]=4 5127 B12R0.44 C=C(C)CCC(=O)CCCC(=O)C 1458a_200000688413_100011215641 [0,2,0,0,0,0|1,0,0]=3 5128 B12R0.44 C=C(C)CCC(=O)CCCC(=O)N 1458a_200000688413_100102525003 [0,2,0,0,0,0|1,0,0]=3 5129 B12R0.44 C=C(C)CCC(=O)CCCC(C)O 1458a_200000688413_200000718107 [0,2,0,0,0,0|1,0,1]=4 5130 B12R0.44 C=C(C)CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000730704 [0,2,0,0,0,0|1,0,1]=4 5131 B12R0.44 C=C(C)CCC(=O)CCNC(=O)C 1458a_100000183196_100000730704 [0,2,0,0,0,0|2,0,0]=4 5132 B12R0.44 C=C(C)CCC(=O)CCNC(=O)C 1458a_200000688413_100000189650 [0,2,0,0,0,0|2,0,0]=4 5133 B12R0.44 C=C(C)CCC(=O)CCNC(=O)N 1458a_100000181464_100000730704 [0,2,0,0,0,0|2,0,0]=4 5134 B12R0.44 C=C(C)CCC(=O)CCNC(=O)N 1458a_200000688413_200000034859 [0,2,0,0,0,0|2,0,0]=4 5135 B12R0.44 C=C(C)CCC(=O)CCOC(=O)C 1458a_200000688413_100009814007 [0,2,0,0,0,0|2,0,0]=4 5136 B12R0.44 C=C(C)CCC(=O)CCOC(=O)N 1458a_200000688413_200011214921 [0,2,0,0,0,0|2,0,0]=4 5137 B12R0.44 C=C(C)CCC(=O)CCSC(=O)C 1458a_100000048949_100000730704 [0,2,0,0,0,0|2,0,0]=4 5138 B12R0.44 C=C(C)CCC(=O)COCC(=O)N 1458a_100011219004_100000730704 [0,2,0,0,0,0|2,0,0]=4 5139 B12R0.44 C=C(C)CCC(=O)NCCC(=O)N 11a_100000740010_200000688413 [0,2,0,0,0,0|2,0,0]=4 5140 B12R0.44 C=C(C)CCC(=O)NCCC(=O)N 240690a_100000740010_200000688413 [0,2,0,0,0,0|2,0,0]=4 5141 B12R0.44 C=C(C)CCC(=O)NCCC(=O)N 527a_100000740010_200000688413 [0,2,0,0,0,0|2,0,0]=4 5142 B12R0.44 C=C(C)CCN(C)CCCC(=O)O 269956a_100000719178_100000730704 [0,2,0,0,0,0|2,0,0]=4 5143 B12R0.44 CC(=CCC(=O)CCCC(=O)N)C 1458a_100011220947_100102525003 [0,2,0,0,0,0|1,0,1]=4 5144 B12R0.44 CC(=O)CCCC(=O)C=CC(C)C 1458a_100016268746_100011215641 [0,2,0,0,0,0|1,0,1]=4 5145 B12R0.44 CC(=O)CCCC(=O)CC=C(C)C 1458a_100011220947_100011215641 [0,2,0,0,0,0|1,0,1]=4 5146 B12R0.44 CC(=O)CCCC(=O)CCC(=O)N 1458a_100011215257_100011215641 [0,2,0,0,0,0|1,0,1]=4 5147 B12R0.44 CC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100011215641 [0,2,0,0,0,0|1,0,0]=3 5148 B12R0.44 CC(=O)CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215641 [0,2,0,0,0,0|2,0,0]=4 5149 B12R0.44 CC(=O)CCCC(=O)CC[S+](C)C 1458a_100009452791_100011215641 [0,2,0,0,0,0|1,0,0]=3 5150 B12R0.44 CC(=O)CCCC(=O)CNC(=O)C 1458a_100000194580_100011215641 [0,2,0,0,0,0|1,0,1]=4 5151 B12R0.44 CC(=O)CCCC(=O)COC(=O)C 1458a_100000183556_100011215641 [0,2,0,0,0,0|1,0,1]=4 5152 B12R0.44 CC(=O)CCCC(=O)COC(C)C 1458a_100000745533_100011215641 [0,2,0,0,0,0|1,0,0]=3 5153 B12R0.44 CC(=O)CCCC(=O)COC(F)F 1458a_200000719455_100011215641 [0,2,0,0,0,0|2,0,0]=4 5154 B12R0.44 CC(=O)CCCC(=O)CSC(=O)C 1458a_100000049016_100011215641 [0,2,0,0,0,0|1,0,1]=4 5155 B12R0.44 CC(=O)CCCC(=O)CSC(C)C 1458a_100000241585_100011215641 [0,2,0,0,0,0|1,0,0]=3 5156 B12R0.44 CC(=O)CCCC(=O)CSC(F)F 1458a_114828291038_100011215641 [0,2,0,0,0,0|2,0,0]=4 5157 B12R0.44 CC(=O)CCCC(=O)NCC(C)C 1458a_100000070787_100011194448 [0,2,0,0,0,0|1,0,0]=3 5158 B12R0.44 CC(=O)CCN(C)CCCC(=O)O 269956a_100000719178_100000053229 [0,2,0,0,0,0|2,0,0]=4 5159 B12R0.44 CC(=O)COCC(=O)NCC(C)C 34a_100000211253_100000183291 [0,2,0,0,0,0|2,0,0]=4 5160 B12R0.44 CC(=O)NCC(=O)CCCC(=O)N 1458a_100000194580_100102525003 [0,2,0,0,0,0|1,0,1]=4 5161 B12R0.44 CC(=O)NCCC(=O)CCC(C)C 1458a_100000181311_100000189650 [0,2,0,0,0,0|2,0,0]=4 5162 B12R0.44 CC(=O)NCCC(=O)CCC(C)C 1458a_100000183196_100000210312 [0,2,0,0,0,0|2,0,0]=4 5163 B12R0.44 CC(=O)NCCC(=O)CCC(C)O 1458a_100000183196_100012276601 [0,2,0,0,0,0|2,0,0]=4 5164 B12R0.44 CC(=O)NCCC(=O)CC[S+](C)C 1458a_100009452791_100000189650 [0,2,0,0,0,0|2,0,0]=4 5165 B12R0.44 CC(=O)NCCC(=O)COC(C)C 1458a_100000745533_100000189650 [0,2,0,0,0,0|2,0,0]=4 5166 B12R0.44 CC(=O)NCCC(=O)CSC(C)C 1458a_100000241585_100000189650 [0,2,0,0,0,0|2,0,0]=4 5167 B12R0.44 CC(=O)NCCC(=O)NCC(C)C 11a_100000210953_100000183196 [0,2,0,0,0,0|2,0,0]=4 5168 B12R0.44 CC(=O)NCCC(=O)NCC(C)C 1626a_100000210953_100000183196 [0,2,0,0,0,0|2,0,0]=4 5169 B12R0.44 CC(=O)NCCC(=O)NCC(C)C 240690a_100000210953_100000183196 [0,2,0,0,0,0|2,0,0]=4 5170 B12R0.44 CC(=O)NCCC(=O)NCC(C)C 527a_100000210953_100000183196 [0,2,0,0,0,0|2,0,0]=4 5171 B12R0.44 CC(=O)NCCC(=O)NCC(C)O 11a_100000210904_100000183196 [0,2,0,0,0,0|2,0,0]=4 5172 B12R0.44 CC(=O)NCCC(=O)NCC(C)O 240690a_100000210904_100000183196 [0,2,0,0,0,0|2,0,0]=4 5173 B12R0.44 CC(=O)NCCC(=O)NCC(C)O 527a_100000210904_100000183196 [0,2,0,0,0,0|2,0,0]=4 5174 B12R0.44 CC(=O)OCC(=O)CCCC(=O)N 1458a_100000183556_100102525003 [0,2,0,0,0,0|1,0,1]=4 5175 B12R0.44 CC(=O)OCC(=O)CNCC(=O)O 269956a_100016091260_100000036994 [0,2,0,0,0,0|1,0,1]=4 5176 B12R0.44 CC(=O)OCCC(=O)CCC(C)C 1458a_100000181311_100009814007 [0,2,0,0,0,0|2,0,0]=4 5177 B12R0.44 CC(=O)OCCC(=O)CC[S+](C)C 1458a_100009452791_100009814007 [0,2,0,0,0,0|2,0,0]=4 5178 B12R0.44 CC(=O)OCCC(=O)COC(C)C 1458a_100000745533_100009814007 [0,2,0,0,0,0|2,0,0]=4 5179 B12R0.44 CC(=O)OCCC(=O)CSC(C)C 1458a_100000241585_100009814007 [0,2,0,0,0,0|2,0,0]=4 5180 B12R0.44 CC(=O)SCC(=O)CCCC(=O)N 1458a_100000049016_100102525003 [0,2,0,0,0,0|1,0,1]=4 5181 B12R0.44 CC(=O)SCCC(=O)CCC(C)C 1458a_100000048949_100000210312 [0,2,0,0,0,0|2,0,0]=4 5182 B12R0.44 CC(=O)SCCC(=O)CCC(C)O 1458a_100000048949_100012276601 [0,2,0,0,0,0|2,0,0]=4 5183 B12R0.44 CC(=O)SCCC(=O)NCC(C)C 1626a_100000210953_100000048949 [0,2,0,0,0,0|2,0,0]=4 5184 B12R0.44 CC(=O)SCCC(=O)NCC(C)C 240690a_100000210953_100000048949 [0,2,0,0,0,0|2,0,0]=4 5185 B12R0.44 CC(=O)SCCC(=O)NCC(C)O 240690a_100000210904_100000048949 [0,2,0,0,0,0|2,0,0]=4 5186 B12R0.44 CC(C)C=CC(=O)CCCC(=O)N 1458a_100016268746_100102525003 [0,2,0,0,0,0|1,0,1]=4 5187 B12R0.44 CC(C)CCC(=O)CCCC(=O)N 1458a_100000181311_100102525003 [0,2,0,0,0,0|1,0,0]=3 5188 B12R0.44 CC(C)CCC(=O)CCCC(C)O 1458a_100000181311_200000718107 [0,2,0,0,0,0|1,0,1]=4 5189 B12R0.44 CC(C)CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210312 [0,2,0,0,0,0|1,0,1]=4 5190 B12R0.44 CC(C)CCC(=O)CCNC(=O)N 1458a_100000181311_200000034859 [0,2,0,0,0,0|2,0,0]=4 5191 B12R0.44 CC(C)CCC(=O)CCNC(=O)N 1458a_100000181464_100000210312 [0,2,0,0,0,0|2,0,0]=4 5192 B12R0.44 CC(C)CCC(=O)CCOC(=O)N 1458a_100000181311_200011214921 [0,2,0,0,0,0|2,0,0]=4 5193 B12R0.44 CC(C)CCC(=O)COCC(=O)N 1458a_100011219004_100000210312 [0,2,0,0,0,0|2,0,0]=4 5194 B12R0.44 CC(C)CCC(=O)NCCC(=O)N 11a_100000740010_100000181311 [0,2,0,0,0,0|2,0,0]=4 5195 B12R0.44 CC(C)CCC(=O)NCCC(=O)N 240690a_100000740010_100000181311 [0,2,0,0,0,0|2,0,0]=4 5196 B12R0.44 CC(C)CCC(=O)NCCC(=O)N 527a_100000740010_100000181311 [0,2,0,0,0,0|2,0,0]=4 5197 B12R0.44 CC(C)CCN(C)CCCC(=O)O 269956a_100000719178_100000210312 [0,2,0,0,0,0|2,0,0]=4 5198 B12R0.44 CC(C)CNC(=O)CCCC(C)O 1626a_100000210953_100000761597 [0,2,0,0,0,0|1,0,1]=4 5199 B12R0.44 CC(C)CNC(=O)CCCC(C)O 527a_100000210953_100000761597 [0,2,0,0,0,0|1,0,1]=4 5200 B12R0.44 CC(C)CNC(=O)CCC[N+](=O)[O-] 11a_100000210953_100016109205 [0,2,0,0,0,0|1,0,1]=4 5201 B12R0.44 CC(C)CNC(=O)CCC[N+](=O)[O-] 1626a_100000210953_100016109205 [0,2,0,0,0,0|1,0,1]=4 5202 B12R0.44 CC(C)CNC(=O)CCC[N+](=O)[O-] 240690a_100000210953_100016109205 [0,2,0,0,0,0|1,0,1]=4 5203 B12R0.44 CC(C)CNC(=O)CCC[N+](=O)[O-] 527a_100000210953_100016109205 [0,2,0,0,0,0|1,0,1]=4 5204 B12R0.44 CC(C)CNC(=O)CCNC(=O)N 240690a_100000210953_100000181464 [0,2,0,0,0,0|2,0,0]=4 5205 B12R0.44 CC(C)CNC(=O)CCNC(=O)N 527a_100000210953_100000181464 [0,2,0,0,0,0|2,0,0]=4 5206 B12R0.44 CC(C)CNC(=O)CNCC(=O)N 2230a_100000711301_100000183291 [0,2,0,0,0,0|2,0,0]=4 5207 B12R0.44 CC(C)CNC(=O)CNCC(=O)O 269956a_100016091260_100000183291 [0,2,0,0,0,0|1,0,0]=3 5208 B12R0.44 CC(C)CNC(=O)COCC(=O)N 1626a_100000210953_100011219004 [0,2,0,0,0,0|2,0,0]=4 5209 B12R0.44 CC(C)CNC(=O)COCC(=O)N 240690a_100000210953_100011219004 [0,2,0,0,0,0|2,0,0]=4 5210 B12R0.44 CC(C)CNC(=O)COCC(=O)N 527a_100000210953_100011219004 [0,2,0,0,0,0|2,0,0]=4 5211 B12R0.44 CC(C)CNC(=O)CSCC(=O)N 11a_100000210953_100000150265 [0,2,0,0,0,0|2,0,0]=4 5212 B12R0.44 CC(C)CNC(=O)CSCC(=O)N 240690a_100000210953_100000150265 [0,2,0,0,0,0|2,0,0]=4 5213 B12R0.44 CC(C)CNC(=O)CSCC(=O)N 527a_100000210953_100000150265 [0,2,0,0,0,0|2,0,0]=4 5214 B12R0.44 CC(C)CNC(=O)CSCC(=O)N 62a_100000183291_100000747473 [0,2,0,0,0,0|2,0,0]=4 5215 B12R0.44 CC(C)CNC(=O)CSCC(=O)N 62a_100000747473_100000183291 [0,2,0,0,0,0|2,0,0]=4 5216 B12R0.44 CC(C)CNC(=O)CSCC(=O)[O-] 62a_100000183291_100020667443 [0,2,0,0,0,0|1,0,1]=4 5217 B12R0.44 CC(C)CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183291 [0,2,0,0,0,0|1,0,1]=4 5218 B12R0.44 CC(C)CNC(=O)NCCC(=O)N 2708a_100000210953_100000740010 [0,2,0,0,0,0|2,0,0]=4 5219 B12R0.44 CC(C)CNC(=O)NCCC(=O)N 273464a_100000210953_100000740010 [0,2,0,0,0,0|2,0,0]=4 5220 B12R0.44 CC(C)CNC(=O)NCCC(=O)N 273464a_100000740010_100000210953 [0,2,0,0,0,0|2,0,0]=4 5221 B12R0.44 CC(C)CNC(=O)NCCC(=O)N 512a_100000210953_100000740010 [0,2,0,0,0,0|2,0,0]=4 5222 B12R0.44 CC(C)NCC(=O)NCCC(=O)N 2230a_200138414118_100000210206 [0,2,0,0,0,0|2,0,0]=4 5223 B12R0.44 CC(C)OCC(=O)CCCC(=O)N 1458a_100000745533_100102525003 [0,2,0,0,0,0|1,0,0]=3 5224 B12R0.44 CC(C)OCC(=O)CCNC(=O)N 1458a_100000745533_200000034859 [0,2,0,0,0,0|2,0,0]=4 5225 B12R0.44 CC(C)OCC(=O)CCOC(=O)N 1458a_100000745533_200011214921 [0,2,0,0,0,0|2,0,0]=4 5226 B12R0.44 CC(C)OCC(=O)NCCC(=O)N 11a_100000740010_100000745533 [0,2,0,0,0,0|2,0,0]=4 5227 B12R0.44 CC(C)OCC(=O)NCCC(=O)N 240690a_100000740010_100000745533 [0,2,0,0,0,0|2,0,0]=4 5228 B12R0.44 CC(C)OCC(=O)NCCC(=O)N 527a_100000740010_100000745533 [0,2,0,0,0,0|2,0,0]=4 5229 B12R0.44 CC(C)OCN(C)CCCC(=O)O 269956a_100000719178_100000709892 [0,2,0,0,0,0|2,0,0]=4 5230 B12R0.44 CC(C)SCC(=O)CCCC(=O)N 1458a_100000241585_100102525003 [0,2,0,0,0,0|1,0,0]=3 5231 B12R0.44 CC(C)SCC(=O)CCNC(=O)N 1458a_100000241585_200000034859 [0,2,0,0,0,0|2,0,0]=4 5232 B12R0.44 CC(C)SCC(=O)CCOC(=O)N 1458a_100000241585_200011214921 [0,2,0,0,0,0|2,0,0]=4 5233 B12R0.44 CC(C)SCC(=O)NCCC(=O)N 11a_100000740010_100000241585 [0,2,0,0,0,0|2,0,0]=4 5234 B12R0.44 CC(C)SCC(=O)NCCC(=O)N 240690a_100000740010_100000241585 [0,2,0,0,0,0|2,0,0]=4 5235 B12R0.44 CC(C)SCC(=O)NCCC(=O)N 527a_100000740010_100000241585 [0,2,0,0,0,0|2,0,0]=4 5236 B12R0.44 CC(O)CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100012276601 [0,2,0,0,0,0|1,0,1]=4 5237 B12R0.44 CC(O)CCC(=O)CCNC(=O)N 1458a_100000181464_100012276601 [0,2,0,0,0,0|2,0,0]=4 5238 B12R0.44 CC(O)CCC(=O)COCC(=O)N 1458a_100011219004_100012276601 [0,2,0,0,0,0|2,0,0]=4 5239 B12R0.44 CC(O)CCCC(=O)CC[S+](C)C 1458a_100009452791_200000718107 [0,2,0,0,0,0|1,0,1]=4 5240 B12R0.44 CC(O)CCCC(=O)COC(C)C 1458a_100000745533_200000718107 [0,2,0,0,0,0|1,0,1]=4 5241 B12R0.44 CC(O)CCCC(=O)CSC(C)C 1458a_100000241585_200000718107 [0,2,0,0,0,0|1,0,1]=4 5242 B12R0.44 CC(O)CCCC(=O)NCC(C)O 527a_100000210904_100000761597 [0,2,0,0,0,0|1,0,1]=4 5243 B12R0.44 CC(O)CCN(C)CCCC(=O)O 269956a_100000719178_100012276601 [0,2,0,0,0,0|2,0,0]=4 5244 B12R0.44 CC(O)CNC(=O)CCC[N+](=O)[O-] 11a_100000210904_100016109205 [0,2,0,0,0,0|1,0,1]=4 5245 B12R0.44 CC(O)CNC(=O)CCC[N+](=O)[O-] 240690a_100000210904_100016109205 [0,2,0,0,0,0|1,0,1]=4 5246 B12R0.44 CC(O)CNC(=O)CCC[N+](=O)[O-] 527a_100000210904_100016109205 [0,2,0,0,0,0|1,0,1]=4 5247 B12R0.44 CC(O)CNC(=O)CCNC(=O)N 240690a_100000210904_100000181464 [0,2,0,0,0,0|2,0,0]=4 5248 B12R0.44 CC(O)CNC(=O)CCNC(=O)N 527a_100000210904_100000181464 [0,2,0,0,0,0|2,0,0]=4 5249 B12R0.44 CC(O)CNC(=O)COCC(=O)N 240690a_100000210904_100011219004 [0,2,0,0,0,0|2,0,0]=4 5250 B12R0.44 CC(O)CNC(=O)COCC(=O)N 527a_100000210904_100011219004 [0,2,0,0,0,0|2,0,0]=4 5251 B12R0.44 CC(O)CNC(=O)CSCC(=O)N 11a_100000210904_100000150265 [0,2,0,0,0,0|2,0,0]=4 5252 B12R0.44 CC(O)CNC(=O)CSCC(=O)N 240690a_100000210904_100000150265 [0,2,0,0,0,0|2,0,0]=4 5253 B12R0.44 CC(O)CNC(=O)CSCC(=O)N 527a_100000210904_100000150265 [0,2,0,0,0,0|2,0,0]=4 5254 B12R0.44 CC(O)CNC(=O)NCCC(=O)N 273464a_100000210904_100000740010 [0,2,0,0,0,0|2,0,0]=4 5255 B12R0.44 CC(O)CNC(=O)NCCC(=O)N 273464a_100000740010_100000210904 [0,2,0,0,0,0|2,0,0]=4 5256 B12R0.44 CC(O)CNC(=O)NCCC(=O)N 512a_100000210904_100000740010 [0,2,0,0,0,0|2,0,0]=4 5257 B12R0.44 CN(C)CCC(=O)NCCC(=O)N 11a_100000740010_100000689311 [0,2,0,0,0,0|2,0,0]=4 5258 B12R0.44 CN(C)CCC(=O)NCCC(=O)N 240690a_100000740010_100000689311 [0,2,0,0,0,0|2,0,0]=4 5259 B12R0.44 CN(C)CCC(=O)NCCC(=O)N 527a_100000740010_100000689311 [0,2,0,0,0,0|2,0,0]=4 5260 B12R0.44 CN(C)CCN(C)CCCC(=O)O 269956a_100000719178_100000755713 [0,2,0,0,0,0|2,0,0]=4 5261 B12R0.44 C[S+](C)CCC(=O)CCCC(=O)N 1458a_100009452791_100102525003 [0,2,0,0,0,0|1,0,0]=3 5262 B12R0.44 C[S+](C)CCC(=O)CCNC(=O)N 1458a_100009452791_200000034859 [0,2,0,0,0,0|2,0,0]=4 5263 B12R0.44 C[S+](C)CCC(=O)CCOC(=O)N 1458a_100009452791_200011214921 [0,2,0,0,0,0|2,0,0]=4 5264 B12R0.44 C[S+](C)CCC(=O)NCCC(=O)N 11a_100000740010_100009452791 [0,2,0,0,0,0|2,0,0]=4 5265 B12R0.44 C[S+](C)CCC(=O)NCCC(=O)N 240690a_100000740010_100009452791 [0,2,0,0,0,0|2,0,0]=4 5266 B12R0.44 NC(=O)CCCC(=O)CCC(=O)N 1458a_100011215257_100102525003 [0,2,0,0,0,0|1,0,1]=4 5267 B12R0.44 NC(=O)CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100102525003 [0,2,0,0,0,0|2,0,0]=4 5268 B12R0.44 NC(=O)CCCC(=O)COC(F)F 1458a_200000719455_100102525003 [0,2,0,0,0,0|2,0,0]=4 5269 B12R0.44 NC(=O)CCCC(=O)CSC(F)F 1458a_114828291038_100102525003 [0,2,0,0,0,0|2,0,0]=4 5270 B12R0.102 C#CC(=O)CCCC(=O)NCCC 1458a_100000211873_100011194427 [0,2,0,0,0,0|1,0,0]=3 5271 B12R0.102 C#CCCC(=O)CCCC(=O)NC 1458a_100000692101_100000741757 [0,2,0,0,0,0|1,0,1]=4 5272 B12R0.102 C#CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000753159 [0,2,0,0,0,0|0,0,1]=3 5273 B12R0.102 C#CCCC(=O)CCCC(=O)OC 1458a_100000692101_100011218270 [0,2,0,0,0,0|0,0,1]=3 5274 B12R0.102 C#CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000753159 [0,2,0,0,0,0|1,0,1]=4 5275 B12R0.102 C#CCNC(=O)CCCC(=O)OC 11a_100000212058_100000239890 [0,2,0,0,0,0|0,0,2]=4 5276 B12R0.102 C#CCNC(=O)CCCC(=O)OC 1626a_100000212058_100000239890 [0,2,0,0,0,0|0,0,2]=4 5277 B12R0.102 C#CCNC(=O)CCCC(=O)OC 240690a_100000212058_100000239890 [0,2,0,0,0,0|0,0,2]=4 5278 B12R0.102 C#CCNC(=O)CCCC(=O)OC 527a_100000212058_100000239890 [0,2,0,0,0,0|0,0,2]=4 5279 B12R0.102 C/C=C/CC(=O)CCCC(=O)OC 1458a_100000239890_100102629194 [0,2,0,0,0,0|0,0,1]=3 5280 B12R0.102 C/C=C/CC(=O)CSCC(=O)OC 1458a_100000191316_100102629194 [0,2,0,0,0,0|1,0,1]=4 5281 B12R0.102 C=CC(=O)CCCC(=O)NCCC 1458a_100000185746_100011194427 [0,2,0,0,0,0|1,0,0]=3 5282 B12R0.102 C=CC(=O)OCCC(=O)CCCC 1458a_100000065099_100000210211 [0,2,0,0,0,0|2,0,0]=4 5283 B12R0.102 C=CC(=O)OCCC(=O)CCCC 1458a_100000210183_100009813456 [0,2,0,0,0,0|2,0,0]=4 5284 B12R0.102 C=CC(=O)OCCC(=O)CCCF 1458a_100000065099_100011934791 [0,2,0,0,0,0|2,0,0]=4 5285 B12R0.102 C=CC(=O)OCCC(=O)CCCO 1458a_100000065099_100011215043 [0,2,0,0,0,0|2,0,0]=4 5286 B12R0.102 C=CC(=O)OCCC(=O)CCOC 1458a_100000065099_100000233755 [0,2,0,0,0,0|2,0,0]=4 5287 B12R0.102 C=CC(=O)OCCC(=O)CCOC 1458a_100000749529_100009813456 [0,2,0,0,0,0|2,0,0]=4 5288 B12R0.102 C=CC(=O)OCCC(=O)CCSC 1458a_100000065099_100000751147 [0,2,0,0,0,0|2,0,0]=4 5289 B12R0.102 C=CC(=O)OCCC(=O)CCSC 1458a_100000174002_100009813456 [0,2,0,0,0,0|2,0,0]=4 5290 B12R0.102 C=CC(=O)OCCC(=O)COCC 1458a_100000211967_100009813456 [0,2,0,0,0,0|2,0,0]=4 5291 B12R0.102 C=CC(=O)OCCC(=O)CSCC 1458a_100000230394_100009813456 [0,2,0,0,0,0|2,0,0]=4 5292 B12R0.102 C=CC(=O)OCCC(=O)NCCC 240690a_100020643023_100000065099 [0,2,0,0,0,0|2,0,0]=4 5293 B12R0.102 C=CCCC(=O)CCCC(=O)NC 1458a_100000749702_100000741757 [0,2,0,0,0,0|1,0,1]=4 5294 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000754431 [0,2,0,0,0,0|0,0,1]=3 5295 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000749702_100011218270 [0,2,0,0,0,0|0,0,1]=3 5296 B12R0.102 C=CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000754431 [0,2,0,0,0,0|1,0,1]=4 5297 B12R0.102 C=CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000749702 [0,2,0,0,0,0|1,0,1]=4 5298 B12R0.102 C=CCNC(=O)CCCC(=O)OC 1626a_100020586998_100000239890 [0,2,0,0,0,0|0,0,2]=4 5299 B12R0.102 C=CCNC(=O)CCCC(=O)OC 240690a_100020586998_100000239890 [0,2,0,0,0,0|0,0,2]=4 5300 B12R0.102 C=CCNC(=O)CCCC(=O)OC 527a_100020586998_100000239890 [0,2,0,0,0,0|0,0,2]=4 5301 B12R0.102 CC#CCC(=O)CCCC(=O)OC 1458a_100000239890_100000748600 [0,2,0,0,0,0|0,0,1]=3 5302 B12R0.102 CC#CCC(=O)CSCC(=O)OC 1458a_100000191316_100000748600 [0,2,0,0,0,0|1,0,1]=4 5303 B12R0.102 CC=CCC(=O)CCCC(=O)NC 1458a_100121576822_100000741757 [0,2,0,0,0,0|1,0,1]=4 5304 B12R0.102 CC=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000070051 [0,2,0,0,0,0|0,0,1]=3 5305 B12R0.102 CC=CCC(=O)CCCC(=O)OC 1458a_100121576822_100011218270 [0,2,0,0,0,0|0,0,1]=3 5306 B12R0.102 CC=CCC(=O)CSCC(=O)OC 1458a_100000191316_100000070051 [0,2,0,0,0,0|1,0,1]=4 5307 B12R0.102 CC=CCC(=O)NCCC(=O)OC 188690a_100000683876_100121576822 [0,2,0,0,0,0|1,0,1]=4 5308 B12R0.102 CCC#CC(=O)CCCC(=O)NC 1458a_100011827653_100000741757 [0,2,0,0,0,0|1,0,1]=4 5309 B12R0.102 CCC#CC(=O)CCCC(=O)OC 1458a_100011827653_100011218270 [0,2,0,0,0,0|0,0,1]=3 5310 B12R0.102 CCC=CC(=O)CCCC(=O)NC 1458a_100000212282_100000741757 [0,2,0,0,0,0|1,0,1]=4 5311 B12R0.102 CCC=CC(=O)CCCC(=O)OC 1458a_100000212282_100011218270 [0,2,0,0,0,0|0,0,1]=3 5312 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [0,2,0,0,0,0|1,0,0]=3 5313 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [0,2,0,0,0,0|0,0,0]=2 5314 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [0,2,0,0,0,0|0,0,0]=2 5315 B12R0.102 CCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210211 [0,2,0,0,0,0|2,0,0]=4 5316 B12R0.102 CCCCC(=O)CCOC(=O)NC 1458a_100000210183_200011997002 [0,2,0,0,0,0|2,0,0]=4 5317 B12R0.102 CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210211 [0,2,0,0,0,0|1,0,0]=3 5318 B12R0.102 CCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210183 [0,2,0,0,0,0|2,0,0]=4 5319 B12R0.102 CCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210183 [0,2,0,0,0,0|2,0,0]=4 5320 B12R0.102 CCCCC(=O)NCCC(=O)NC 527a_100000738227_100000210183 [0,2,0,0,0,0|2,0,0]=4 5321 B12R0.102 CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210183 [0,2,0,0,0,0|1,0,0]=3 5322 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [0,2,0,0,0,0|2,0,0]=4 5323 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [0,2,0,0,0,0|2,0,0]=4 5324 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [0,2,0,0,0,0|2,0,0]=4 5325 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [0,2,0,0,0,0|1,0,0]=3 5326 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [0,2,0,0,0,0|1,0,0]=3 5327 B12R0.102 CCCNC(=O)CCCC(=O)CF 1458a_100000199544_100015361967 [0,2,0,0,0,0|1,0,0]=3 5328 B12R0.102 CCCNC(=O)CCCC(=O)CO 1458a_100000210174_100011194427 [0,2,0,0,0,0|0,0,0]=2 5329 B12R0.102 CCCNC(=O)CCCC(=O)NC 11a_106832991635_100000199544 [0,2,0,0,0,0|1,0,0]=3 5330 B12R0.102 CCCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199544 [0,2,0,0,0,0|1,0,0]=3 5331 B12R0.102 CCCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199544 [0,2,0,0,0,0|1,0,0]=3 5332 B12R0.102 CCCNC(=O)CCCC(=O)NC 527a_100102657272_100000199544 [0,2,0,0,0,0|1,0,0]=3 5333 B12R0.102 CCCNC(=O)CCCC(=O)OC 11a_100020643023_100000239890 [0,2,0,0,0,0|0,0,0]=2 5334 B12R0.102 CCCNC(=O)CCCC(=O)OC 1626a_100020643023_100000239890 [0,2,0,0,0,0|0,0,0]=2 5335 B12R0.102 CCCNC(=O)CCCC(=O)OC 240690a_100020643023_100000239890 [0,2,0,0,0,0|0,0,0]=2 5336 B12R0.102 CCCNC(=O)CCCC(=O)OC 527a_100020643023_100000239890 [0,2,0,0,0,0|0,0,0]=2 5337 B12R0.102 CCCNC(=O)CCCN(C)N=O 11a_100020643023_200000076914 [0,2,0,0,0,0|2,0,0]=4 5338 B12R0.102 CCCNC(=O)CCCN(C)N=O 1626a_100020643023_200000076914 [0,2,0,0,0,0|2,0,0]=4 5339 B12R0.102 CCCNC(=O)CCCN(C)N=O 240690a_100020643023_200000076914 [0,2,0,0,0,0|2,0,0]=4 5340 B12R0.102 CCCNC(=O)CCCN(C)N=O 527a_100020643023_200000076914 [0,2,0,0,0,0|2,0,0]=4 5341 B12R0.102 CCCNC(=O)CNCC(=O)NC 2230a_100000174927_100000183359 [0,2,0,0,0,0|2,0,0]=4 5342 B12R0.102 CCCNC(=O)CNCC(=O)NC 2230a_100000693194_100000183358 [0,2,0,0,0,0|2,0,0]=4 5343 B12R0.102 CCCNC(=O)CNCC(=O)OC 2230a_100000174927_100000747449 [0,2,0,0,0,0|1,0,0]=3 5344 B12R0.102 CCCNC(=O)COCC(=O)CC 34a_100000725409_100000183358 [0,2,0,0,0,0|2,0,0]=4 5345 B12R0.102 CCCNC(=O)COCC(=O)NC 34a_100000750040_100000183358 [0,2,0,0,0,0|2,0,0]=4 5346 B12R0.102 CCCNC(=O)CSCC(=O)CC 62a_100000183358_100000747405 [0,2,0,0,0,0|2,0,0]=4 5347 B12R0.102 CCCNC(=O)CSCC(=O)CC 62a_100000747405_100000183358 [0,2,0,0,0,0|2,0,0]=4 5348 B12R0.102 CCCNC(=O)CSCC(=O)NC 62a_100000183358_100000183359 [0,2,0,0,0,0|2,0,0]=4 5349 B12R0.102 CCCNC(=O)CSCC(=O)NC 62a_100000183359_100000183358 [0,2,0,0,0,0|2,0,0]=4 5350 B12R0.102 CCCNC(=O)CSCC(=O)OC 11a_100020643023_100000191316 [0,2,0,0,0,0|1,0,0]=3 5351 B12R0.102 CCCNC(=O)CSCC(=O)OC 1626a_100020643023_100000191316 [0,2,0,0,0,0|1,0,0]=3 5352 B12R0.102 CCCNC(=O)CSCC(=O)OC 240690a_100020643023_100000191316 [0,2,0,0,0,0|1,0,0]=3 5353 B12R0.102 CCCNC(=O)CSCC(=O)OC 62a_100000183358_100000747449 [0,2,0,0,0,0|1,0,0]=3 5354 B12R0.102 CCCNC(=O)CSCC(=O)OC 62a_100000747449_100000183358 [0,2,0,0,0,0|1,0,0]=3 5355 B12R0.102 CCCNC(=O)NCCC(=O)NC 2708a_100020643023_100000738227 [0,2,0,0,0,0|2,0,0]=4 5356 B12R0.102 CCCNC(=O)NCCC(=O)NC 273464a_100000738227_100020643023 [0,2,0,0,0,0|2,0,0]=4 5357 B12R0.102 CCCNC(=O)NCCC(=O)NC 273464a_100020643023_100000738227 [0,2,0,0,0,0|2,0,0]=4 5358 B12R0.102 CCCNC(=O)NCCC(=O)NC 512a_100000738227_100020643023 [0,2,0,0,0,0|2,0,0]=4 5359 B12R0.102 CCCNC(=O)NCCC(=O)NC 512a_100020643023_100000738227 [0,2,0,0,0,0|2,0,0]=4 5360 B12R0.102 CCCOC(=O)CNCC(=O)NC 2230a_100000693194_200011215008 [0,2,0,0,0,0|2,0,0]=4 5361 B12R0.102 CCCOC(=O)COCC(=O)CC 34a_100000725409_200011215008 [0,2,0,0,0,0|2,0,0]=4 5362 B12R0.102 CCCOC(=O)COCC(=O)NC 34a_100000750040_200011215008 [0,2,0,0,0,0|2,0,0]=4 5363 B12R0.102 CCCOC(=O)CSCC(=O)CC 62a_100000747405_200011215008 [0,2,0,0,0,0|2,0,0]=4 5364 B12R0.102 CCCOC(=O)CSCC(=O)CC 62a_200011215008_100000747405 [0,2,0,0,0,0|2,0,0]=4 5365 B12R0.102 CCCOC(=O)CSCC(=O)NC 62a_100000183359_200011215008 [0,2,0,0,0,0|2,0,0]=4 5366 B12R0.102 CCCOC(=O)CSCC(=O)NC 62a_200011215008_100000183359 [0,2,0,0,0,0|2,0,0]=4 5367 B12R0.102 CCCOC(=O)CSCC(=O)OC 62a_100000747449_200011215008 [0,2,0,0,0,0|1,0,0]=3 5368 B12R0.102 CCCOC(=O)CSCC(=O)OC 62a_200011215008_100000747449 [0,2,0,0,0,0|1,0,0]=3 5369 B12R0.102 CCNCC(=O)NCCC(=O)OC 2230a_100015525214_100000230212 [0,2,0,0,0,0|1,0,0]=3 5370 B12R0.102 CCNN=C(C)CCCC(=O)OC 4a_100000756455_100000015542 [0,2,0,0,0,0|2,0,0]=4 5371 B12R0.102 CCNNC(=O)CCCC(=O)OC 22a_100000756455_100000239890 [0,2,0,0,0,0|1,0,0]=3 5372 B12R0.102 CCNNC(=O)CSCC(=O)OC 22a_100000756455_100000191316 [0,2,0,0,0,0|2,0,0]=4 5373 B12R0.102 CCOCC(=O)CCCC(=O)NC 1458a_100000211967_100000741757 [0,2,0,0,0,0|1,0,0]=3 5374 B12R0.102 CCOCC(=O)CCCC(=O)OC 1458a_100000211967_100011218270 [0,2,0,0,0,0|0,0,0]=2 5375 B12R0.102 CCOCC(=O)CCOC(=O)NC 1458a_100000211967_200011997002 [0,2,0,0,0,0|2,0,0]=4 5376 B12R0.102 CCOCC(=O)NCCC(=O)NC 11a_100000738227_100000211967 [0,2,0,0,0,0|2,0,0]=4 5377 B12R0.102 CCOCC(=O)NCCC(=O)NC 240690a_100000738227_100000211967 [0,2,0,0,0,0|2,0,0]=4 5378 B12R0.102 CCOCC(=O)NCCC(=O)NC 527a_100000738227_100000211967 [0,2,0,0,0,0|2,0,0]=4 5379 B12R0.102 CCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000211967 [0,2,0,0,0,0|1,0,0]=3 5380 B12R0.102 CCOCC(=O)NCCC(=O)OC 34a_100121572206_100000230212 [0,2,0,0,0,0|1,0,0]=3 5381 B12R0.102 CCOCN(C)CCCC(=O)OC 269982a_100000739225_100000739092 [0,2,0,0,0,0|2,0,0]=4 5382 B12R0.102 CCSCC(=O)CCCC(=O)NC 1458a_100000230394_100000741757 [0,2,0,0,0,0|1,0,0]=3 5383 B12R0.102 CCSCC(=O)CCCC(=O)OC 1458a_100000230394_100011218270 [0,2,0,0,0,0|0,0,0]=2 5384 B12R0.102 CCSCC(=O)CCOC(=O)NC 1458a_100000230394_200011997002 [0,2,0,0,0,0|2,0,0]=4 5385 B12R0.102 CCSCC(=O)NCCC(=O)NC 11a_100000738227_100000230394 [0,2,0,0,0,0|2,0,0]=4 5386 B12R0.102 CCSCC(=O)NCCC(=O)NC 240690a_100000738227_100000230394 [0,2,0,0,0,0|2,0,0]=4 5387 B12R0.102 CCSCC(=O)NCCC(=O)NC 527a_100000738227_100000230394 [0,2,0,0,0,0|2,0,0]=4 5388 B12R0.102 CCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000230394 [0,2,0,0,0,0|1,0,0]=3 5389 B12R0.102 CCSCC(=O)NCCC(=O)OC 62a_100000210202_100000230212 [0,2,0,0,0,0|1,0,0]=3 5390 B12R0.102 CCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210202 [0,2,0,0,0,0|1,0,0]=3 5391 B12R0.102 CN(CCCC(=O)CCCF)N=O 1458a_200000076914_100011934791 [0,2,0,0,0,0|2,0,0]=4 5392 B12R0.102 CN(CCCC(=O)CCCO)N=O 1458a_200000076914_100011215043 [0,2,0,0,0,0|2,0,0]=4 5393 B12R0.102 CNC(=O)CCCC(=O)CCC#N 1458a_100011934036_100000741757 [0,2,0,0,0,0|1,0,1]=4 5394 B12R0.102 CNC(=O)CCCC(=O)CCOC 1458a_100000749529_100000741757 [0,2,0,0,0,0|1,0,0]=3 5395 B12R0.102 CNC(=O)CCCC(=O)CCSC 1458a_100000174002_100000741757 [0,2,0,0,0,0|1,0,0]=3 5396 B12R0.102 CNC(=O)CCNC(=O)CCOC 11a_100000738227_100000749529 [0,2,0,0,0,0|2,0,0]=4 5397 B12R0.102 CNC(=O)CCNC(=O)CCOC 240690a_100000738227_100000749529 [0,2,0,0,0,0|2,0,0]=4 5398 B12R0.102 CNC(=O)CCNC(=O)CCOC 527a_100000738227_100000749529 [0,2,0,0,0,0|2,0,0]=4 5399 B12R0.102 CNC(=O)CCNC(=O)CCSC 11a_100000738227_100000174002 [0,2,0,0,0,0|2,0,0]=4 5400 B12R0.102 CNC(=O)CCNC(=O)CCSC 240690a_100000738227_100000174002 [0,2,0,0,0,0|2,0,0]=4 5401 B12R0.102 CNC(=O)CCNC(=O)CCSC 527a_100000738227_100000174002 [0,2,0,0,0,0|2,0,0]=4 5402 B12R0.102 CNC(=O)OCCC(=O)CCOC 1458a_100000749529_200011997002 [0,2,0,0,0,0|2,0,0]=4 5403 B12R0.102 CNC(=O)OCCC(=O)CCSC 1458a_100000174002_200011997002 [0,2,0,0,0,0|2,0,0]=4 5404 B12R0.102 COC(=O)CCCC(=O)C#CCO 1458a_100000049017_100011218270 [0,2,0,0,0,0|0,0,2]=4 5405 B12R0.102 COC(=O)CCCC(=O)CCC#N 1458a_100000239890_100011215226 [0,2,0,0,0,0|0,0,1]=3 5406 B12R0.102 COC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011218270 [0,2,0,0,0,0|0,0,1]=3 5407 B12R0.102 COC(=O)CCCC(=O)CCCF 1458a_100000239890_100011934791 [0,2,0,0,0,0|0,0,0]=2 5408 B12R0.102 COC(=O)CCCC(=O)CCCO 1458a_100000239890_100011215043 [0,2,0,0,0,0|0,0,0]=2 5409 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000174002_100011218270 [0,2,0,0,0,0|0,0,0]=2 5410 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000239890_100000751147 [0,2,0,0,0,0|0,0,0]=2 5411 B12R0.102 COC(=O)CCCC(=O)NCC#N 1626a_100000734998_100000239890 [0,2,0,0,0,0|1,0,1]=4 5412 B12R0.102 COC(=O)CCCC(=O)NCC#N 527a_100000734998_100000239890 [0,2,0,0,0,0|1,0,1]=4 5413 B12R0.102 COC(=O)CCCC(=O)NCCF 11a_100000724931_100000239890 [0,2,0,0,0,0|1,0,0]=3 5414 B12R0.102 COC(=O)CCCC(=O)NCCF 1626a_100000724931_100000239890 [0,2,0,0,0,0|1,0,0]=3 5415 B12R0.102 COC(=O)CCCC(=O)NCCF 240690a_100000724931_100000239890 [0,2,0,0,0,0|1,0,0]=3 5416 B12R0.102 COC(=O)CCCC(=O)NCCF 527a_100000724931_100000239890 [0,2,0,0,0,0|1,0,0]=3 5417 B12R0.102 COC(=O)CCCC(=O)NCCO 240690a_100000210304_100000239890 [0,2,0,0,0,0|1,0,0]=3 5418 B12R0.102 COC(=O)CCCC(=O)NCCO 527a_100000210304_100000239890 [0,2,0,0,0,0|1,0,0]=3 5419 B12R0.102 COC(=O)CCCN(C)CCCF 269982a_100000739225_100011934791 [0,2,0,0,0,0|2,0,0]=4 5420 B12R0.102 COC(=O)CCCN(C)CCCO 2230a_100000213112_100011218270 [0,2,0,0,0,0|2,0,0]=4 5421 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000213112_100011218270 [0,2,0,0,0,0|2,0,0]=4 5422 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000739225_100011215043 [0,2,0,0,0,0|2,0,0]=4 5423 B12R0.102 COC(=O)CCCN(C)CCSC 2230a_100000686725_100011218270 [0,2,0,0,0,0|2,0,0]=4 5424 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000686725_100011218270 [0,2,0,0,0,0|2,0,0]=4 5425 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000739225_100000212216 [0,2,0,0,0,0|2,0,0]=4 5426 B12R0.102 COC(=O)CCNC(=O)CCSC 188690a_100000683876_100000174002 [0,2,0,0,0,0|1,0,0]=3 5427 B12R0.102 COC(=O)CCNC(=O)CSCF 62a_100000230212_100015361967 [0,2,0,0,0,0|2,0,0]=4 5428 B12R0.102 COC(=O)CCNC(=O)CSCF 62a_100015361967_100000230212 [0,2,0,0,0,0|2,0,0]=4 5429 B12R0.102 COC(=O)CNCC(=O)NCCF 2230a_100000725713_100000747449 [0,2,0,0,0,0|2,0,0]=4 5430 B12R0.102 COC(=O)CSCC(=O)CCC#N 1458a_100000191316_100011215226 [0,2,0,0,0,0|1,0,1]=4 5431 B12R0.102 COC(=O)CSCC(=O)CCCF 1458a_100000191316_100011934791 [0,2,0,0,0,0|1,0,0]=3 5432 B12R0.102 COC(=O)CSCC(=O)CCCO 1458a_100000191316_100011215043 [0,2,0,0,0,0|1,0,0]=3 5433 B12R0.102 COC(=O)CSCC(=O)CCSC 1458a_100000191316_100000751147 [0,2,0,0,0,0|1,0,0]=3 5434 B12R0.102 COC(=O)CSCC(=O)NCCF 11a_100000724931_100000191316 [0,2,0,0,0,0|2,0,0]=4 5435 B12R0.102 COC(=O)CSCC(=O)NCCF 1626a_100000724931_100000191316 [0,2,0,0,0,0|2,0,0]=4 5436 B12R0.102 COC(=O)CSCC(=O)NCCF 240690a_100000724931_100000191316 [0,2,0,0,0,0|2,0,0]=4 5437 B12R0.102 COC(=O)CSCC(=O)NCCO 240690a_100000210304_100000191316 [0,2,0,0,0,0|2,0,0]=4 5438 B12R0.102 COC=CC(=O)CCCC(=O)OC 1458a_100016268678_100011218270 [0,2,0,0,0,0|0,0,2]=4 5439 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000239890_100000233755 [0,2,0,0,0,0|0,0,0]=2 5440 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000749529_100011218270 [0,2,0,0,0,0|0,0,0]=2 5441 B12R0.102 COCCC(=O)CCCN(C)N=O 1458a_200000076914_100000233755 [0,2,0,0,0,0|2,0,0]=4 5442 B12R0.102 COCCC(=O)CSCC(=O)OC 1458a_100000191316_100000233755 [0,2,0,0,0,0|1,0,0]=3 5443 B12R0.102 COCCC(=O)NCCC(=O)OC 188690a_100000683876_100000749529 [0,2,0,0,0,0|1,0,0]=3 5444 B12R0.102 COCCN(C)CCCC(=O)OC 2230a_100000743101_100011218270 [0,2,0,0,0,0|2,0,0]=4 5445 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000739225_100000233755 [0,2,0,0,0,0|2,0,0]=4 5446 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000743101_100011218270 [0,2,0,0,0,0|2,0,0]=4 5447 B12R0.102 CSCCC(=O)CCCN(C)N=O 1458a_200000076914_100000751147 [0,2,0,0,0,0|2,0,0]=4 5448 B12R0.104 CCCCC(=O)CCCS(=O)(=O)C 1458a_100000210183_100000754308 [0,2,0,0,0,0|1,0,1]=4 5449 B12R0.104 CCCCC(=O)CCCS(=O)(=O)N 1458a_100000210183_100000750626 [0,2,0,0,0,0|1,0,1]=4 5450 B12R0.104 CCCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000210211 [0,2,0,0,0,0|1,0,1]=4 5451 B12R0.104 CCCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000210183_100009813499 [0,2,0,0,0,0|1,0,1]=4 5452 B12R0.104 CCCNC(=O)CCCS(=O)(=O)N 240690a_100020643023_100000739357 [0,2,0,0,0,0|1,0,1]=4 5453 B12R0.104 CCOCC(=O)CCCS(=O)(=O)C 1458a_100000211967_100000754308 [0,2,0,0,0,0|1,0,1]=4 5454 B12R0.104 CCOCC(=O)CCCS(=O)(=O)N 1458a_100000211967_100000750626 [0,2,0,0,0,0|1,0,1]=4 5455 B12R0.104 CCOCC(=O)CCCS(=O)(=O)[O-] 1458a_100000211967_100009813499 [0,2,0,0,0,0|1,0,1]=4 5456 B12R0.104 CCSCC(=O)CCCS(=O)(=O)C 1458a_100000230394_100000754308 [0,2,0,0,0,0|1,0,1]=4 5457 B12R0.104 CCSCC(=O)CCCS(=O)(=O)N 1458a_100000230394_100000750626 [0,2,0,0,0,0|1,0,1]=4 5458 B12R0.104 CCSCC(=O)CCCS(=O)(=O)[O-] 1458a_100000230394_100009813499 [0,2,0,0,0,0|1,0,1]=4 5459 B12R0.104 COCCC(=O)CCCS(=O)(=O)C 1458a_100000749529_100000754308 [0,2,0,0,0,0|1,0,1]=4 5460 B12R0.104 COCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000233755 [0,2,0,0,0,0|1,0,1]=4 5461 B12R0.104 COCCC(=O)CCCS(=O)(=O)N 1458a_100000749529_100000750626 [0,2,0,0,0,0|1,0,1]=4 5462 B12R0.104 COCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000749529_100009813499 [0,2,0,0,0,0|1,0,1]=4 5463 B12R0.104 CSCCC(=O)CCCS(=O)(=O)C 1458a_100000174002_100000754308 [0,2,0,0,0,0|1,0,1]=4 5464 B12R0.104 CSCCC(=O)CCCS(=O)(=O)N 1458a_100000174002_100000750626 [0,2,0,0,0,0|1,0,1]=4 5465 B12R0.104 CSCCC(=O)CCCS(=O)(=O)N 1458a_100000739357_100000751147 [0,2,0,0,0,0|1,0,1]=4 5466 B12R0.104 CSCCC(=O)CCCS(=O)(=O)[O-] 1458a_100000174002_100009813499 [0,2,0,0,0,0|1,0,1]=4 5467 B12R0.104 NS(=O)(=O)CCCC(=O)CCCF 1458a_100000739357_100011934791 [0,2,0,0,0,0|1,0,1]=4 5468 B12R0.104 NS(=O)(=O)CCCC(=O)CCCO 1458a_100000739357_100011215043 [0,2,0,0,0,0|1,0,1]=4 5469 B12R0.233 C#CCCCC(=O)CCCC(=O)C 1458a_100000690238_100011215641 [0,2,0,0,0,0|1,0,0]=3 5470 B12R0.233 C#CCCCC(=O)CCCC(=O)N 1458a_100000690238_100102525003 [0,2,0,0,0,0|1,0,0]=3 5471 B12R0.233 C#CCCCC(=O)CCCC(C)O 1458a_100000690238_200000718107 [0,2,0,0,0,0|1,0,1]=4 5472 B12R0.233 C#CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000731252 [0,2,0,0,0,0|1,0,1]=4 5473 B12R0.233 C#CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000731252 [0,2,0,0,0,0|2,0,0]=4 5474 B12R0.233 C#CCCCC(=O)CCNC(=O)C 1458a_100000690238_100000189650 [0,2,0,0,0,0|2,0,0]=4 5475 B12R0.233 C#CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000731252 [0,2,0,0,0,0|2,0,0]=4 5476 B12R0.233 C#CCCCC(=O)CCNC(=O)N 1458a_100000690238_200000034859 [0,2,0,0,0,0|2,0,0]=4 5477 B12R0.233 C#CCCCC(=O)CCOC(=O)C 1458a_100000690238_100009814007 [0,2,0,0,0,0|2,0,0]=4 5478 B12R0.233 C#CCCCC(=O)CCOC(=O)N 1458a_100000690238_200011214921 [0,2,0,0,0,0|2,0,0]=4 5479 B12R0.233 C#CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000731252 [0,2,0,0,0,0|2,0,0]=4 5480 B12R0.233 C#CCCCC(=O)COCC(=O)N 1458a_100011219004_100000731252 [0,2,0,0,0,0|2,0,0]=4 5481 B12R0.233 C#CCCCC(=O)NCCC(=O)N 11a_100000740010_100000690238 [0,2,0,0,0,0|2,0,0]=4 5482 B12R0.233 C#CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000690238 [0,2,0,0,0,0|2,0,0]=4 5483 B12R0.233 C#CCCCC(=O)NCCC(=O)N 527a_100000740010_100000690238 [0,2,0,0,0,0|2,0,0]=4 5484 B12R0.233 C#CCCCN(C)CCCC(=O)O 269956a_100000719178_100011215417 [0,2,0,0,0,0|2,0,0]=4 5485 B12R0.233 C#CCOCC(=O)CCCC(=O)C 1458a_100011251226_100011215641 [0,2,0,0,0,0|1,0,1]=4 5486 B12R0.233 C#CCOCC(=O)CCCC(=O)N 1458a_100011251226_100102525003 [0,2,0,0,0,0|1,0,1]=4 5487 B12R0.233 C=CCCCC(=O)CCCC(=O)C 1458a_100000766728_100011215641 [0,2,0,0,0,0|1,0,0]=3 5488 B12R0.233 C=CCCCC(=O)CCCC(=O)N 1458a_100000766728_100102525003 [0,2,0,0,0,0|1,0,0]=3 5489 B12R0.233 C=CCCCC(=O)CCCC(C)O 1458a_100000766728_200000718107 [0,2,0,0,0,0|1,0,1]=4 5490 B12R0.233 C=CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000757094 [0,2,0,0,0,0|1,0,1]=4 5491 B12R0.233 C=CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000757094 [0,2,0,0,0,0|2,0,0]=4 5492 B12R0.233 C=CCCCC(=O)CCNC(=O)C 1458a_100000766728_100000189650 [0,2,0,0,0,0|2,0,0]=4 5493 B12R0.233 C=CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000757094 [0,2,0,0,0,0|2,0,0]=4 5494 B12R0.233 C=CCCCC(=O)CCNC(=O)N 1458a_100000766728_200000034859 [0,2,0,0,0,0|2,0,0]=4 5495 B12R0.233 C=CCCCC(=O)CCOC(=O)C 1458a_100000766728_100009814007 [0,2,0,0,0,0|2,0,0]=4 5496 B12R0.233 C=CCCCC(=O)CCOC(=O)N 1458a_100000766728_200011214921 [0,2,0,0,0,0|2,0,0]=4 5497 B12R0.233 C=CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000757094 [0,2,0,0,0,0|2,0,0]=4 5498 B12R0.233 C=CCCCC(=O)COCC(=O)N 1458a_100011219004_100000757094 [0,2,0,0,0,0|2,0,0]=4 5499 B12R0.233 C=CCCCC(=O)NCCC(=O)N 11a_100000740010_100000766728 [0,2,0,0,0,0|2,0,0]=4 5500 B12R0.233 C=CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000766728 [0,2,0,0,0,0|2,0,0]=4 5501 B12R0.233 C=CCCCC(=O)NCCC(=O)N 527a_100000740010_100000766728 [0,2,0,0,0,0|2,0,0]=4 5502 B12R0.233 C=CCCCN(C)CCCC(=O)O 269956a_100000719178_100011713584 [0,2,0,0,0,0|2,0,0]=4 5503 B12R0.233 C=CCSCC(=O)CCCC(=O)C 1458a_100000230395_100011215641 [0,2,0,0,0,0|1,0,1]=4 5504 B12R0.233 C=CCSCC(=O)CCCC(=O)N 1458a_100000230395_100102525003 [0,2,0,0,0,0|1,0,1]=4 5505 B12R0.233 CC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100011215641 [0,2,0,0,0,0|1,0,0]=3 5506 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,2,0,0,0,0|1,0,0]=3 5507 B12R0.233 CC(=O)CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100011215641 [0,2,0,0,0,0|2,0,0]=4 5508 B12R0.233 CC(=O)CCCC(=O)COCCO 1458a_100000708028_100011215641 [0,2,0,0,0,0|1,0,0]=3 5509 B12R0.233 CC(=O)CCCC(=O)CSCC#N 1458a_100000150266_100011215641 [0,2,0,0,0,0|1,0,1]=4 5510 B12R0.233 CC(=O)NCCC(=O)CCCC#N 1458a_100000075515_100000189650 [0,2,0,0,0,0|2,0,0]=4 5511 B12R0.233 CC(=O)NCCC(=O)CCCC#N 1458a_100000183196_100000211468 [0,2,0,0,0,0|2,0,0]=4 5512 B12R0.233 CC(=O)NCCC(=O)CCCCF 1458a_100000183196_100000729493 [0,2,0,0,0,0|2,0,0]=4 5513 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000183196_100000210776 [0,2,0,0,0,0|2,0,0]=4 5514 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000695505_100000189650 [0,2,0,0,0,0|2,0,0]=4 5515 B12R0.233 CC(=O)NCCC(=O)COCCO 1458a_100000708028_100000189650 [0,2,0,0,0,0|2,0,0]=4 5516 B12R0.233 CC(=O)NCCC(=O)NCCCF 11a_100015189416_100000183196 [0,2,0,0,0,0|2,0,0]=4 5517 B12R0.233 CC(=O)NCCC(=O)NCCCF 1626a_100015189416_100000183196 [0,2,0,0,0,0|2,0,0]=4 5518 B12R0.233 CC(=O)NCCC(=O)NCCCF 240690a_100015189416_100000183196 [0,2,0,0,0,0|2,0,0]=4 5519 B12R0.233 CC(=O)NCCC(=O)NCCCF 527a_100015189416_100000183196 [0,2,0,0,0,0|2,0,0]=4 5520 B12R0.233 CC(=O)NCCC(=O)NCCCO 240690a_100000182051_100000183196 [0,2,0,0,0,0|2,0,0]=4 5521 B12R0.233 CC(=O)NCCC(=O)NCCCO 527a_100000182051_100000183196 [0,2,0,0,0,0|2,0,0]=4 5522 B12R0.233 CC(=O)OCCC(=O)CCCC#N 1458a_100000075515_100009814007 [0,2,0,0,0,0|2,0,0]=4 5523 B12R0.233 CC(=O)OCCC(=O)CCCCO 1458a_100000695505_100009814007 [0,2,0,0,0,0|2,0,0]=4 5524 B12R0.233 CC(=O)OCCC(=O)COCCO 1458a_100000708028_100009814007 [0,2,0,0,0,0|2,0,0]=4 5525 B12R0.233 CC(=O)SCCC(=O)CCCC#N 1458a_100000048949_100000211468 [0,2,0,0,0,0|2,0,0]=4 5526 B12R0.233 CC(=O)SCCC(=O)CCCCF 1458a_100000048949_100000729493 [0,2,0,0,0,0|2,0,0]=4 5527 B12R0.233 CC(=O)SCCC(=O)CCCCO 1458a_100000048949_100000210776 [0,2,0,0,0,0|2,0,0]=4 5528 B12R0.233 CC(=O)SCCC(=O)NCCCF 1626a_100015189416_100000048949 [0,2,0,0,0,0|2,0,0]=4 5529 B12R0.233 CC(=O)SCCC(=O)NCCCF 240690a_100015189416_100000048949 [0,2,0,0,0,0|2,0,0]=4 5530 B12R0.233 CC(=O)SCCC(=O)NCCCO 240690a_100000182051_100000048949 [0,2,0,0,0,0|2,0,0]=4 5531 B12R0.233 CC(O)CCCC(=O)CCCC#N 1458a_100000075515_200000718107 [0,2,0,0,0,0|1,0,1]=4 5532 B12R0.233 CC(O)CCCC(=O)CCCCO 1458a_100000695505_200000718107 [0,2,0,0,0,0|1,0,1]=4 5533 B12R0.233 CC(O)CCCC(=O)COCCO 1458a_100000708028_200000718107 [0,2,0,0,0,0|1,0,1]=4 5534 B12R0.233 CC(O)CCCC(=O)NCCCF 1626a_100015189416_100000761597 [0,2,0,0,0,0|1,0,1]=4 5535 B12R0.233 CC(O)CCCC(=O)NCCCF 527a_100015189416_100000761597 [0,2,0,0,0,0|1,0,1]=4 5536 B12R0.233 CC(O)CCCC(=O)NCCCO 527a_100000182051_100000761597 [0,2,0,0,0,0|1,0,1]=4 5537 B12R0.233 CC/C=C/CC(=O)CCCC(=O)C 1458a_100016274230_100011215641 [0,2,0,0,0,0|1,0,0]=3 5538 B12R0.233 CC/C=C/CC(=O)CCCC(=O)N 1458a_100016274230_100102525003 [0,2,0,0,0,0|1,0,0]=3 5539 B12R0.233 CC/C=C/CC(=O)CCCC(C)O 1458a_100016274230_200000718107 [0,2,0,0,0,0|1,0,1]=4 5540 B12R0.233 CC/C=C/CC(=O)CCNC(=O)C 1458a_100016274230_100000189650 [0,2,0,0,0,0|2,0,0]=4 5541 B12R0.233 CC/C=C/CC(=O)CCNC(=O)N 1458a_100016274230_200000034859 [0,2,0,0,0,0|2,0,0]=4 5542 B12R0.233 CC/C=C/CC(=O)CCOC(=O)C 1458a_100016274230_100009814007 [0,2,0,0,0,0|2,0,0]=4 5543 B12R0.233 CC/C=C/CC(=O)CCOC(=O)N 1458a_100016274230_200011214921 [0,2,0,0,0,0|2,0,0]=4 5544 B12R0.233 CC/C=C/CC(=O)NCCC(=O)N 11a_100000740010_100016274230 [0,2,0,0,0,0|2,0,0]=4 5545 B12R0.233 CC/C=C/CC(=O)NCCC(=O)N 240690a_100000740010_100016274230 [0,2,0,0,0,0|2,0,0]=4 5546 B12R0.233 CC/C=C/CC(=O)NCCC(=O)N 527a_100000740010_100016274230 [0,2,0,0,0,0|2,0,0]=4 5547 B12R0.233 CC/C=C\CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100103147603 [0,2,0,0,0,0|1,0,1]=4 5548 B12R0.233 CC/C=C\CC(=O)CCNC(=O)C 1458a_100000183196_100103147603 [0,2,0,0,0,0|2,0,0]=4 5549 B12R0.233 CC/C=C\CC(=O)CCNC(=O)N 1458a_100000181464_100103147603 [0,2,0,0,0,0|2,0,0]=4 5550 B12R0.233 CC/C=C\CC(=O)CCSC(=O)C 1458a_100000048949_100103147603 [0,2,0,0,0,0|2,0,0]=4 5551 B12R0.233 CC/C=C\CC(=O)COCC(=O)N 1458a_100011219004_100103147603 [0,2,0,0,0,0|2,0,0]=4 5552 B12R0.233 CC/C=C\CN(C)CCCC(=O)O 269956a_100000719178_100103147603 [0,2,0,0,0,0|2,0,0]=4 5553 B12R0.233 CCC#CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100009813939 [0,2,0,0,0,0|1,0,1]=4 5554 B12R0.233 CCC#CCC(=O)CCNC(=O)C 1458a_100000183196_100009813939 [0,2,0,0,0,0|2,0,0]=4 5555 B12R0.233 CCC#CCC(=O)CCNC(=O)N 1458a_100000181464_100009813939 [0,2,0,0,0,0|2,0,0]=4 5556 B12R0.233 CCC#CCC(=O)CCSC(=O)C 1458a_100000048949_100009813939 [0,2,0,0,0,0|2,0,0]=4 5557 B12R0.233 CCC#CCC(=O)COCC(=O)N 1458a_100011219004_100009813939 [0,2,0,0,0,0|2,0,0]=4 5558 B12R0.233 CCC#CCN(C)CCCC(=O)O 269956a_100000719178_100009813939 [0,2,0,0,0,0|2,0,0]=4 5559 B12R0.233 CCCC#CC(=O)CCCC(=O)C 1458a_200011218047_100011215641 [0,2,0,0,0,0|1,0,0]=3 5560 B12R0.233 CCCC#CC(=O)CCCC(=O)N 1458a_200011218047_100102525003 [0,2,0,0,0,0|1,0,0]=3 5561 B12R0.233 CCCC#CC(=O)CCCC(C)O 1458a_200011218047_200000718107 [0,2,0,0,0,0|1,0,1]=4 5562 B12R0.233 CCCC#CC(=O)CCNC(=O)C 1458a_200011218047_100000189650 [0,2,0,0,0,0|2,0,0]=4 5563 B12R0.233 CCCC#CC(=O)CCNC(=O)N 1458a_200011218047_200000034859 [0,2,0,0,0,0|2,0,0]=4 5564 B12R0.233 CCCC#CC(=O)CCOC(=O)C 1458a_200011218047_100009814007 [0,2,0,0,0,0|2,0,0]=4 5565 B12R0.233 CCCC#CC(=O)CCOC(=O)N 1458a_200011218047_200011214921 [0,2,0,0,0,0|2,0,0]=4 5566 B12R0.233 CCCC#CC(=O)NCCC(=O)N 240690a_100000740010_200011218047 [0,2,0,0,0,0|2,0,0]=4 5567 B12R0.233 CCCC=CC(=O)CCCC(=O)C 1458a_100000212230_100011215641 [0,2,0,0,0,0|1,0,0]=3 5568 B12R0.233 CCCC=CC(=O)CCCC(=O)N 1458a_100000212230_100102525003 [0,2,0,0,0,0|1,0,0]=3 5569 B12R0.233 CCCC=CC(=O)CCCC(C)O 1458a_100000212230_200000718107 [0,2,0,0,0,0|1,0,1]=4 5570 B12R0.233 CCCC=CC(=O)CCNC(=O)C 1458a_100000212230_100000189650 [0,2,0,0,0,0|2,0,0]=4 5571 B12R0.233 CCCC=CC(=O)CCNC(=O)N 1458a_100000212230_200000034859 [0,2,0,0,0,0|2,0,0]=4 5572 B12R0.233 CCCC=CC(=O)CCOC(=O)C 1458a_100000212230_100009814007 [0,2,0,0,0,0|2,0,0]=4 5573 B12R0.233 CCCC=CC(=O)CCOC(=O)N 1458a_100000212230_200011214921 [0,2,0,0,0,0|2,0,0]=4 5574 B12R0.233 CCCC=CC(=O)NCCC(=O)N 11a_100000740010_100000212230 [0,2,0,0,0,0|2,0,0]=4 5575 B12R0.233 CCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100000212230 [0,2,0,0,0,0|2,0,0]=4 5576 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,2,0,0,0,0|1,0,0]=3 5577 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,2,0,0,0,0|1,0,0]=3 5578 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,2,0,0,0,0|1,0,1]=4 5579 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [0,2,0,0,0,0|1,0,1]=4 5580 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,2,0,0,0,0|2,0,0]=4 5581 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,2,0,0,0,0|2,0,0]=4 5582 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,2,0,0,0,0|2,0,0]=4 5583 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,2,0,0,0,0|2,0,0]=4 5584 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,2,0,0,0,0|2,0,0]=4 5585 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,2,0,0,0,0|2,0,0]=4 5586 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,2,0,0,0,0|2,0,0]=4 5587 B12R0.233 CCCCCC(=O)CNCC(=O)N 2230a_100000711301_200012276598 [0,2,0,0,0,0|2,0,0]=4 5588 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [0,2,0,0,0,0|1,0,0]=3 5589 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,2,0,0,0,0|2,0,0]=4 5590 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,2,0,0,0,0|2,0,0]=4 5591 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_100000747473_200012276598 [0,2,0,0,0,0|2,0,0]=4 5592 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_200012276598_100000747473 [0,2,0,0,0,0|2,0,0]=4 5593 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_100020667443_200012276598 [0,2,0,0,0,0|1,0,1]=4 5594 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_200012276598_100020667443 [0,2,0,0,0,0|1,0,1]=4 5595 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,2,0,0,0,0|2,0,0]=4 5596 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,2,0,0,0,0|2,0,0]=4 5597 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,2,0,0,0,0|2,0,0]=4 5598 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,2,0,0,0,0|2,0,0]=4 5599 B12R0.233 CCCCNC(=O)CCCC(C)O 1626a_100000102301_100000761597 [0,2,0,0,0,0|1,0,1]=4 5600 B12R0.233 CCCCNC(=O)CCCC(C)O 527a_100000102301_100000761597 [0,2,0,0,0,0|1,0,1]=4 5601 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 11a_100000102301_100016109205 [0,2,0,0,0,0|1,0,1]=4 5602 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000102301_100016109205 [0,2,0,0,0,0|1,0,1]=4 5603 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000102301_100016109205 [0,2,0,0,0,0|1,0,1]=4 5604 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 527a_100000102301_100016109205 [0,2,0,0,0,0|1,0,1]=4 5605 B12R0.233 CCCCNC(=O)CCNC(=O)C 11a_100000102301_100000183196 [0,2,0,0,0,0|2,0,0]=4 5606 B12R0.233 CCCCNC(=O)CCNC(=O)C 1626a_100000102301_100000183196 [0,2,0,0,0,0|2,0,0]=4 5607 B12R0.233 CCCCNC(=O)CCNC(=O)C 240690a_100000102301_100000183196 [0,2,0,0,0,0|2,0,0]=4 5608 B12R0.233 CCCCNC(=O)CCNC(=O)C 527a_100000102301_100000183196 [0,2,0,0,0,0|2,0,0]=4 5609 B12R0.233 CCCCNC(=O)CCNC(=O)N 240690a_100000102301_100000181464 [0,2,0,0,0,0|2,0,0]=4 5610 B12R0.233 CCCCNC(=O)CCNC(=O)N 527a_100000102301_100000181464 [0,2,0,0,0,0|2,0,0]=4 5611 B12R0.233 CCCCNC(=O)CCSC(=O)C 1626a_100000102301_100000048949 [0,2,0,0,0,0|2,0,0]=4 5612 B12R0.233 CCCCNC(=O)CCSC(=O)C 240690a_100000102301_100000048949 [0,2,0,0,0,0|2,0,0]=4 5613 B12R0.233 CCCCNC(=O)CNCC(=O)N 2230a_100000711301_100000182744 [0,2,0,0,0,0|2,0,0]=4 5614 B12R0.233 CCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000182744 [0,2,0,0,0,0|1,0,0]=3 5615 B12R0.233 CCCCNC(=O)COCC(=O)C 34a_100000211253_100000182744 [0,2,0,0,0,0|2,0,0]=4 5616 B12R0.233 CCCCNC(=O)COCC(=O)N 1626a_100000102301_100011219004 [0,2,0,0,0,0|2,0,0]=4 5617 B12R0.233 CCCCNC(=O)COCC(=O)N 240690a_100000102301_100011219004 [0,2,0,0,0,0|2,0,0]=4 5618 B12R0.233 CCCCNC(=O)COCC(=O)N 527a_100000102301_100011219004 [0,2,0,0,0,0|2,0,0]=4 5619 B12R0.233 CCCCNC(=O)CSCC(=O)N 11a_100000102301_100000150265 [0,2,0,0,0,0|2,0,0]=4 5620 B12R0.233 CCCCNC(=O)CSCC(=O)N 240690a_100000102301_100000150265 [0,2,0,0,0,0|2,0,0]=4 5621 B12R0.233 CCCCNC(=O)CSCC(=O)N 527a_100000102301_100000150265 [0,2,0,0,0,0|2,0,0]=4 5622 B12R0.233 CCCCNC(=O)CSCC(=O)N 62a_100000182744_100000747473 [0,2,0,0,0,0|2,0,0]=4 5623 B12R0.233 CCCCNC(=O)CSCC(=O)N 62a_100000747473_100000182744 [0,2,0,0,0,0|2,0,0]=4 5624 B12R0.233 CCCCNC(=O)CSCC(=O)[O-] 62a_100000182744_100020667443 [0,2,0,0,0,0|1,0,1]=4 5625 B12R0.233 CCCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000182744 [0,2,0,0,0,0|1,0,1]=4 5626 B12R0.233 CCCCNC(=O)NCCC(=O)N 2708a_100000102301_100000740010 [0,2,0,0,0,0|2,0,0]=4 5627 B12R0.233 CCCCNC(=O)NCCC(=O)N 273464a_100000102301_100000740010 [0,2,0,0,0,0|2,0,0]=4 5628 B12R0.233 CCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000102301 [0,2,0,0,0,0|2,0,0]=4 5629 B12R0.233 CCCCNC(=O)NCCC(=O)N 512a_100000102301_100000740010 [0,2,0,0,0,0|2,0,0]=4 5630 B12R0.233 CCCCOC(=O)CNCC(=O)N 2230a_100000711301_100000211628 [0,2,0,0,0,0|2,0,0]=4 5631 B12R0.233 CCCCOC(=O)CNCC(=O)O 269956a_100016091260_100000211628 [0,2,0,0,0,0|1,0,0]=3 5632 B12R0.233 CCCCOC(=O)COCC(=O)C 34a_100000211253_100000211628 [0,2,0,0,0,0|2,0,0]=4 5633 B12R0.233 CCCCOC(=O)CSCC(=O)N 62a_100000211628_100000747473 [0,2,0,0,0,0|2,0,0]=4 5634 B12R0.233 CCCCOC(=O)CSCC(=O)N 62a_100000747473_100000211628 [0,2,0,0,0,0|2,0,0]=4 5635 B12R0.233 CCCCOC(=O)CSCC(=O)[O-] 62a_100000211628_100020667443 [0,2,0,0,0,0|1,0,1]=4 5636 B12R0.233 CCCCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000211628 [0,2,0,0,0,0|1,0,1]=4 5637 B12R0.233 CCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210303 [0,2,0,0,0,0|2,0,0]=4 5638 B12R0.233 CCCNNC(=O)CCCC(C)O 22a_100000740057_100000761597 [0,2,0,0,0,0|1,0,1]=4 5639 B12R0.233 CCCNNC(=O)CCC[N+](=O)[O-] 22a_100000740057_100016109205 [0,2,0,0,0,0|1,0,1]=4 5640 B12R0.233 CCCNNC(=O)CCNC(=O)C 22a_100000740057_100000183196 [0,2,0,0,0,0|2,0,0]=4 5641 B12R0.233 CCCNNC(=O)CCNC(=O)N 22a_100000740057_100000181464 [0,2,0,0,0,0|2,0,0]=4 5642 B12R0.233 CCCNNC(=O)COCC(=O)N 22a_100000740057_100011219004 [0,2,0,0,0,0|2,0,0]=4 5643 B12R0.233 CCCNNC(=O)CSCC(=O)N 22a_100000740057_100000150265 [0,2,0,0,0,0|2,0,0]=4 5644 B12R0.233 CCCNNC(=O)NCCC(=O)N 273464a_100000740010_100000740057 [0,2,0,0,0,0|2,0,0]=4 5645 B12R0.233 CCCNNC(=O)NCCC(=O)N 512a_100000740057_100000740010 [0,2,0,0,0,0|2,0,0]=4 5646 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,2,0,0,0,0|1,0,0]=3 5647 B12R0.233 CCCOCC(=O)CCCC(=O)N 1458a_100000745993_100102525003 [0,2,0,0,0,0|1,0,0]=3 5648 B12R0.233 CCCOCC(=O)CCCC(C)O 1458a_100000745993_200000718107 [0,2,0,0,0,0|1,0,1]=4 5649 B12R0.233 CCCOCC(=O)CCNC(=O)C 1458a_100000745993_100000189650 [0,2,0,0,0,0|2,0,0]=4 5650 B12R0.233 CCCOCC(=O)CCNC(=O)N 1458a_100000745993_200000034859 [0,2,0,0,0,0|2,0,0]=4 5651 B12R0.233 CCCOCC(=O)CCOC(=O)C 1458a_100000745993_100009814007 [0,2,0,0,0,0|2,0,0]=4 5652 B12R0.233 CCCOCC(=O)CCOC(=O)N 1458a_100000745993_200011214921 [0,2,0,0,0,0|2,0,0]=4 5653 B12R0.233 CCCOCC(=O)NCCC(=O)N 11a_100000740010_100000745993 [0,2,0,0,0,0|2,0,0]=4 5654 B12R0.233 CCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000745993 [0,2,0,0,0,0|2,0,0]=4 5655 B12R0.233 CCCOCC(=O)NCCC(=O)N 527a_100000740010_100000745993 [0,2,0,0,0,0|2,0,0]=4 5656 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,2,0,0,0,0|1,0,0]=3 5657 B12R0.233 CCCSCC(=O)CCCC(=O)N 1458a_100000217233_100102525003 [0,2,0,0,0,0|1,0,0]=3 5658 B12R0.233 CCCSCC(=O)CCCC(C)O 1458a_100000217233_200000718107 [0,2,0,0,0,0|1,0,1]=4 5659 B12R0.233 CCCSCC(=O)CCNC(=O)C 1458a_100000217233_100000189650 [0,2,0,0,0,0|2,0,0]=4 5660 B12R0.233 CCCSCC(=O)CCNC(=O)N 1458a_100000217233_200000034859 [0,2,0,0,0,0|2,0,0]=4 5661 B12R0.233 CCCSCC(=O)CCOC(=O)C 1458a_100000217233_100009814007 [0,2,0,0,0,0|2,0,0]=4 5662 B12R0.233 CCCSCC(=O)CCOC(=O)N 1458a_100000217233_200011214921 [0,2,0,0,0,0|2,0,0]=4 5663 B12R0.233 CCCSCC(=O)NCCC(=O)N 11a_100000740010_100000217233 [0,2,0,0,0,0|2,0,0]=4 5664 B12R0.233 CCCSCC(=O)NCCC(=O)N 240690a_100000740010_100000217233 [0,2,0,0,0,0|2,0,0]=4 5665 B12R0.233 CCCSCC(=O)NCCC(=O)N 527a_100000740010_100000217233 [0,2,0,0,0,0|2,0,0]=4 5666 B12R0.233 CCOC=CC(=O)CCCC(=O)C 1458a_100016266692_100011215641 [0,2,0,0,0,0|1,0,1]=4 5667 B12R0.233 CCOC=CC(=O)CCCC(=O)N 1458a_100016266692_100102525003 [0,2,0,0,0,0|1,0,1]=4 5668 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,2,0,0,0,0|1,0,0]=3 5669 B12R0.233 CCOCCC(=O)CCCC(=O)N 1458a_100000749530_100102525003 [0,2,0,0,0,0|1,0,0]=3 5670 B12R0.233 CCOCCC(=O)CCCC(C)O 1458a_100000749530_200000718107 [0,2,0,0,0,0|1,0,1]=4 5671 B12R0.233 CCOCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215890 [0,2,0,0,0,0|1,0,1]=4 5672 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000183196_100011215890 [0,2,0,0,0,0|2,0,0]=4 5673 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000749530_100000189650 [0,2,0,0,0,0|2,0,0]=4 5674 B12R0.233 CCOCCC(=O)CCNC(=O)N 1458a_100000181464_100011215890 [0,2,0,0,0,0|2,0,0]=4 5675 B12R0.233 CCOCCC(=O)CCNC(=O)N 1458a_100000749530_200000034859 [0,2,0,0,0,0|2,0,0]=4 5676 B12R0.233 CCOCCC(=O)CCOC(=O)C 1458a_100000749530_100009814007 [0,2,0,0,0,0|2,0,0]=4 5677 B12R0.233 CCOCCC(=O)CCOC(=O)N 1458a_100000749530_200011214921 [0,2,0,0,0,0|2,0,0]=4 5678 B12R0.233 CCOCCC(=O)CCSC(=O)C 1458a_100000048949_100011215890 [0,2,0,0,0,0|2,0,0]=4 5679 B12R0.233 CCOCCC(=O)COCC(=O)N 1458a_100011219004_100011215890 [0,2,0,0,0,0|2,0,0]=4 5680 B12R0.233 CCOCCC(=O)NCCC(=O)N 11a_100000740010_100000749530 [0,2,0,0,0,0|2,0,0]=4 5681 B12R0.233 CCOCCC(=O)NCCC(=O)N 240690a_100000740010_100000749530 [0,2,0,0,0,0|2,0,0]=4 5682 B12R0.233 CCOCCC(=O)NCCC(=O)N 527a_100000740010_100000749530 [0,2,0,0,0,0|2,0,0]=4 5683 B12R0.233 CCOCCN(C)CCCC(=O)O 269956a_100000719178_100000210147 [0,2,0,0,0,0|2,0,0]=4 5684 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,2,0,0,0,0|1,0,0]=3 5685 B12R0.233 CCSCCC(=O)CCCC(=O)N 1458a_100000230768_100102525003 [0,2,0,0,0,0|1,0,0]=3 5686 B12R0.233 CCSCCC(=O)CCCC(C)O 1458a_100000230768_200000718107 [0,2,0,0,0,0|1,0,1]=4 5687 B12R0.233 CCSCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000757381 [0,2,0,0,0,0|1,0,1]=4 5688 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000183196_100000757381 [0,2,0,0,0,0|2,0,0]=4 5689 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000230768_100000189650 [0,2,0,0,0,0|2,0,0]=4 5690 B12R0.233 CCSCCC(=O)CCNC(=O)N 1458a_100000181464_100000757381 [0,2,0,0,0,0|2,0,0]=4 5691 B12R0.233 CCSCCC(=O)CCNC(=O)N 1458a_100000230768_200000034859 [0,2,0,0,0,0|2,0,0]=4 5692 B12R0.233 CCSCCC(=O)CCOC(=O)C 1458a_100000230768_100009814007 [0,2,0,0,0,0|2,0,0]=4 5693 B12R0.233 CCSCCC(=O)CCOC(=O)N 1458a_100000230768_200011214921 [0,2,0,0,0,0|2,0,0]=4 5694 B12R0.233 CCSCCC(=O)CCSC(=O)C 1458a_100000048949_100000757381 [0,2,0,0,0,0|2,0,0]=4 5695 B12R0.233 CCSCCC(=O)COCC(=O)N 1458a_100011219004_100000757381 [0,2,0,0,0,0|2,0,0]=4 5696 B12R0.233 CCSCCC(=O)NCCC(=O)N 11a_100000740010_100000230768 [0,2,0,0,0,0|2,0,0]=4 5697 B12R0.233 CCSCCC(=O)NCCC(=O)N 240690a_100000740010_100000230768 [0,2,0,0,0,0|2,0,0]=4 5698 B12R0.233 CCSCCC(=O)NCCC(=O)N 527a_100000740010_100000230768 [0,2,0,0,0,0|2,0,0]=4 5699 B12R0.233 CCSCCN(C)CCCC(=O)O 269956a_100000719178_100000757381 [0,2,0,0,0,0|2,0,0]=4 5700 B12R0.233 CN(CCCC#N)CCCC(=O)O 269956a_100000719178_100000687738 [0,2,0,0,0,0|2,0,0]=4 5701 B12R0.233 CN(CCCC=O)CCCC(=O)O 269956a_100000719178_200011292268 [0,2,0,0,0,0|2,0,0]=4 5702 B12R0.233 CN(CCCCF)CCCC(=O)O 269956a_100000719178_100000729493 [0,2,0,0,0,0|2,0,0]=4 5703 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [0,2,0,0,0,0|2,0,0]=4 5704 B12R0.233 COCC=CC(=O)CCCC(=O)C 1458a_100016285016_100011215641 [0,2,0,0,0,0|1,0,1]=4 5705 B12R0.233 COCC=CC(=O)CCCC(=O)N 1458a_100016285016_100102525003 [0,2,0,0,0,0|1,0,1]=4 5706 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,2,0,0,0,0|1,0,0]=3 5707 B12R0.233 COCCCC(=O)CCCC(=O)N 1458a_100000741012_100102525003 [0,2,0,0,0,0|1,0,0]=3 5708 B12R0.233 COCCCC(=O)CCCC(C)O 1458a_100000741012_200000718107 [0,2,0,0,0,0|1,0,1]=4 5709 B12R0.233 COCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000740836 [0,2,0,0,0,0|1,0,1]=4 5710 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000183196_100000740836 [0,2,0,0,0,0|2,0,0]=4 5711 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000741012_100000189650 [0,2,0,0,0,0|2,0,0]=4 5712 B12R0.233 COCCCC(=O)CCNC(=O)N 1458a_100000181464_100000740836 [0,2,0,0,0,0|2,0,0]=4 5713 B12R0.233 COCCCC(=O)CCNC(=O)N 1458a_100000741012_200000034859 [0,2,0,0,0,0|2,0,0]=4 5714 B12R0.233 COCCCC(=O)CCOC(=O)C 1458a_100000741012_100009814007 [0,2,0,0,0,0|2,0,0]=4 5715 B12R0.233 COCCCC(=O)CCOC(=O)N 1458a_100000741012_200011214921 [0,2,0,0,0,0|2,0,0]=4 5716 B12R0.233 COCCCC(=O)CCSC(=O)C 1458a_100000048949_100000740836 [0,2,0,0,0,0|2,0,0]=4 5717 B12R0.233 COCCCC(=O)COCC(=O)N 1458a_100011219004_100000740836 [0,2,0,0,0,0|2,0,0]=4 5718 B12R0.233 COCCCC(=O)NCCC(=O)N 11a_100000740010_100000741012 [0,2,0,0,0,0|2,0,0]=4 5719 B12R0.233 COCCCC(=O)NCCC(=O)N 240690a_100000740010_100000741012 [0,2,0,0,0,0|2,0,0]=4 5720 B12R0.233 COCCCC(=O)NCCC(=O)N 527a_100000740010_100000741012 [0,2,0,0,0,0|2,0,0]=4 5721 B12R0.233 COCCCN(C)CCCC(=O)O 269956a_100000719178_100000740836 [0,2,0,0,0,0|2,0,0]=4 5722 B12R0.233 COCCNC(=O)CCCC(C)O 1626a_100000209980_100000761597 [0,2,0,0,0,0|1,0,1]=4 5723 B12R0.233 COCCNC(=O)CCCC(C)O 527a_100000209980_100000761597 [0,2,0,0,0,0|1,0,1]=4 5724 B12R0.233 COCCNC(=O)CCC[N+](=O)[O-] 1626a_100000209980_100016109205 [0,2,0,0,0,0|1,0,1]=4 5725 B12R0.233 COCCNC(=O)CCC[N+](=O)[O-] 240690a_100000209980_100016109205 [0,2,0,0,0,0|1,0,1]=4 5726 B12R0.233 COCCNC(=O)CCC[N+](=O)[O-] 527a_100000209980_100016109205 [0,2,0,0,0,0|1,0,1]=4 5727 B12R0.233 COCCNC(=O)CCNC(=O)C 1626a_100000209980_100000183196 [0,2,0,0,0,0|2,0,0]=4 5728 B12R0.233 COCCNC(=O)CCNC(=O)C 240690a_100000209980_100000183196 [0,2,0,0,0,0|2,0,0]=4 5729 B12R0.233 COCCNC(=O)CCNC(=O)C 527a_100000209980_100000183196 [0,2,0,0,0,0|2,0,0]=4 5730 B12R0.233 COCCNC(=O)CCNC(=O)N 240690a_100000209980_100000181464 [0,2,0,0,0,0|2,0,0]=4 5731 B12R0.233 COCCNC(=O)CCNC(=O)N 527a_100000209980_100000181464 [0,2,0,0,0,0|2,0,0]=4 5732 B12R0.233 COCCNC(=O)CCSC(=O)C 1626a_100000209980_100000048949 [0,2,0,0,0,0|2,0,0]=4 5733 B12R0.233 COCCNC(=O)CCSC(=O)C 240690a_100000209980_100000048949 [0,2,0,0,0,0|2,0,0]=4 5734 B12R0.233 COCCNC(=O)CNCC(=O)N 2230a_100000711301_100000183275 [0,2,0,0,0,0|2,0,0]=4 5735 B12R0.233 COCCNC(=O)CNCC(=O)N 2230a_100000754632_100000747473 [0,2,0,0,0,0|2,0,0]=4 5736 B12R0.233 COCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183275 [0,2,0,0,0,0|1,0,0]=3 5737 B12R0.233 COCCNC(=O)COCC(=O)C 34a_100000211253_100000183275 [0,2,0,0,0,0|2,0,0]=4 5738 B12R0.233 COCCNC(=O)COCC(=O)N 1626a_100000209980_100011219004 [0,2,0,0,0,0|2,0,0]=4 5739 B12R0.233 COCCNC(=O)COCC(=O)N 240690a_100000209980_100011219004 [0,2,0,0,0,0|2,0,0]=4 5740 B12R0.233 COCCNC(=O)COCC(=O)N 527a_100000209980_100011219004 [0,2,0,0,0,0|2,0,0]=4 5741 B12R0.233 COCCNC(=O)CSCC(=O)N 240690a_100000209980_100000150265 [0,2,0,0,0,0|2,0,0]=4 5742 B12R0.233 COCCNC(=O)CSCC(=O)N 527a_100000209980_100000150265 [0,2,0,0,0,0|2,0,0]=4 5743 B12R0.233 COCCNC(=O)CSCC(=O)N 62a_100000183275_100000747473 [0,2,0,0,0,0|2,0,0]=4 5744 B12R0.233 COCCNC(=O)CSCC(=O)N 62a_100000747473_100000183275 [0,2,0,0,0,0|2,0,0]=4 5745 B12R0.233 COCCNC(=O)CSCC(=O)[O-] 62a_100000183275_100020667443 [0,2,0,0,0,0|1,0,1]=4 5746 B12R0.233 COCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183275 [0,2,0,0,0,0|1,0,1]=4 5747 B12R0.233 COCCNC(=O)NCCC(=O)N 273464a_100000209980_100000740010 [0,2,0,0,0,0|2,0,0]=4 5748 B12R0.233 COCCNC(=O)NCCC(=O)N 273464a_100000740010_100000209980 [0,2,0,0,0,0|2,0,0]=4 5749 B12R0.233 COCCOC(=O)CNCC(=O)N 2230a_100000711301_200000040189 [0,2,0,0,0,0|2,0,0]=4 5750 B12R0.233 COCCOC(=O)CNCC(=O)O 269956a_100016091260_200000040189 [0,2,0,0,0,0|1,0,0]=3 5751 B12R0.233 COCCOC(=O)COCC(=O)C 34a_100000211253_200000040189 [0,2,0,0,0,0|2,0,0]=4 5752 B12R0.233 COCCOC(=O)CSCC(=O)N 62a_100000747473_200000040189 [0,2,0,0,0,0|2,0,0]=4 5753 B12R0.233 COCCOC(=O)CSCC(=O)N 62a_200000040189_100000747473 [0,2,0,0,0,0|2,0,0]=4 5754 B12R0.233 COCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200000040189 [0,2,0,0,0,0|1,0,1]=4 5755 B12R0.233 COCCOC(=O)CSCC(=O)[O-] 62a_200000040189_100020667443 [0,2,0,0,0,0|1,0,1]=4 5756 B12R0.233 COCNCC(=O)NCCC(=O)N 2230a_200138414118_100000766300 [0,2,0,0,0,0|2,0,0]=4 5757 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,2,0,0,0,0|1,0,0]=3 5758 B12R0.233 CSCCCC(=O)CCCC(=O)N 1458a_100000173376_100102525003 [0,2,0,0,0,0|1,0,0]=3 5759 B12R0.233 CSCCCC(=O)CCCC(C)O 1458a_100000173376_200000718107 [0,2,0,0,0,0|1,0,1]=4 5760 B12R0.233 CSCCCC(=O)CCNC(=O)C 1458a_100000173376_100000189650 [0,2,0,0,0,0|2,0,0]=4 5761 B12R0.233 CSCCCC(=O)CCNC(=O)N 1458a_100000173376_200000034859 [0,2,0,0,0,0|2,0,0]=4 5762 B12R0.233 CSCCCC(=O)CCOC(=O)C 1458a_100000173376_100009814007 [0,2,0,0,0,0|2,0,0]=4 5763 B12R0.233 CSCCCC(=O)CCOC(=O)N 1458a_100000173376_200011214921 [0,2,0,0,0,0|2,0,0]=4 5764 B12R0.233 CSCCCC(=O)NCCC(=O)N 11a_100000740010_100000173376 [0,2,0,0,0,0|2,0,0]=4 5765 B12R0.233 CSCCCC(=O)NCCC(=O)N 240690a_100000740010_100000173376 [0,2,0,0,0,0|2,0,0]=4 5766 B12R0.233 CSCCCC(=O)NCCC(=O)N 527a_100000740010_100000173376 [0,2,0,0,0,0|2,0,0]=4 5767 B12R0.233 CSCCNC(=O)CCCC(C)O 1626a_100020590264_100000761597 [0,2,0,0,0,0|1,0,1]=4 5768 B12R0.233 CSCCNC(=O)CCCC(C)O 527a_100020590264_100000761597 [0,2,0,0,0,0|1,0,1]=4 5769 B12R0.233 CSCCNC(=O)CCC[N+](=O)[O-] 11a_100020590264_100016109205 [0,2,0,0,0,0|1,0,1]=4 5770 B12R0.233 CSCCNC(=O)CCC[N+](=O)[O-] 1626a_100020590264_100016109205 [0,2,0,0,0,0|1,0,1]=4 5771 B12R0.233 CSCCNC(=O)CCC[N+](=O)[O-] 240690a_100020590264_100016109205 [0,2,0,0,0,0|1,0,1]=4 5772 B12R0.233 CSCCNC(=O)CCC[N+](=O)[O-] 527a_100020590264_100016109205 [0,2,0,0,0,0|1,0,1]=4 5773 B12R0.233 CSCCNC(=O)CCNC(=O)C 11a_100020590264_100000183196 [0,2,0,0,0,0|2,0,0]=4 5774 B12R0.233 CSCCNC(=O)CCNC(=O)C 1626a_100020590264_100000183196 [0,2,0,0,0,0|2,0,0]=4 5775 B12R0.233 CSCCNC(=O)CCNC(=O)C 240690a_100020590264_100000183196 [0,2,0,0,0,0|2,0,0]=4 5776 B12R0.233 CSCCNC(=O)CCNC(=O)C 527a_100020590264_100000183196 [0,2,0,0,0,0|2,0,0]=4 5777 B12R0.233 CSCCNC(=O)CCNC(=O)N 240690a_100020590264_100000181464 [0,2,0,0,0,0|2,0,0]=4 5778 B12R0.233 CSCCNC(=O)CCNC(=O)N 527a_100020590264_100000181464 [0,2,0,0,0,0|2,0,0]=4 5779 B12R0.233 CSCCNC(=O)CCSC(=O)C 1626a_100020590264_100000048949 [0,2,0,0,0,0|2,0,0]=4 5780 B12R0.233 CSCCNC(=O)CCSC(=O)C 240690a_100020590264_100000048949 [0,2,0,0,0,0|2,0,0]=4 5781 B12R0.233 CSCCNC(=O)COCC(=O)N 1626a_100020590264_100011219004 [0,2,0,0,0,0|2,0,0]=4 5782 B12R0.233 CSCCNC(=O)COCC(=O)N 240690a_100020590264_100011219004 [0,2,0,0,0,0|2,0,0]=4 5783 B12R0.233 CSCCNC(=O)COCC(=O)N 527a_100020590264_100011219004 [0,2,0,0,0,0|2,0,0]=4 5784 B12R0.233 CSCCNC(=O)CSCC(=O)N 11a_100020590264_100000150265 [0,2,0,0,0,0|2,0,0]=4 5785 B12R0.233 CSCCNC(=O)CSCC(=O)N 240690a_100020590264_100000150265 [0,2,0,0,0,0|2,0,0]=4 5786 B12R0.233 CSCCNC(=O)CSCC(=O)N 527a_100020590264_100000150265 [0,2,0,0,0,0|2,0,0]=4 5787 B12R0.233 CSCCNC(=O)NCCC(=O)N 2708a_100020590264_100000740010 [0,2,0,0,0,0|2,0,0]=4 5788 B12R0.233 CSCCNC(=O)NCCC(=O)N 273464a_100000740010_100020590264 [0,2,0,0,0,0|2,0,0]=4 5789 B12R0.233 CSCCNC(=O)NCCC(=O)N 273464a_100020590264_100000740010 [0,2,0,0,0,0|2,0,0]=4 5790 B12R0.233 CSCCNC(=O)NCCC(=O)N 512a_100020590264_100000740010 [0,2,0,0,0,0|2,0,0]=4 5791 B12R0.233 CSCNCC(=O)NCCC(=O)N 2230a_200138414118_100011218213 [0,2,0,0,0,0|2,0,0]=4 5792 B12R0.233 N#CCCCC(=O)CCCC(=O)N 1458a_100000075515_100102525003 [0,2,0,0,0,0|1,0,0]=3 5793 B12R0.233 N#CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000211468 [0,2,0,0,0,0|1,0,1]=4 5794 B12R0.233 N#CCCCC(=O)CCNC(=O)N 1458a_100000075515_200000034859 [0,2,0,0,0,0|2,0,0]=4 5795 B12R0.233 N#CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000211468 [0,2,0,0,0,0|2,0,0]=4 5796 B12R0.233 N#CCCCC(=O)CCOC(=O)N 1458a_100000075515_200011214921 [0,2,0,0,0,0|2,0,0]=4 5797 B12R0.233 N#CCCCC(=O)COCC(=O)N 1458a_100011219004_100000211468 [0,2,0,0,0,0|2,0,0]=4 5798 B12R0.233 N#CCCCC(=O)NCCC(=O)N 11a_100000740010_100000075515 [0,2,0,0,0,0|2,0,0]=4 5799 B12R0.233 N#CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000075515 [0,2,0,0,0,0|2,0,0]=4 5800 B12R0.233 N#CCCCC(=O)NCCC(=O)N 527a_100000740010_100000075515 [0,2,0,0,0,0|2,0,0]=4 5801 B12R0.233 N#CCSCC(=O)CCCC(=O)N 1458a_100000150266_100102525003 [0,2,0,0,0,0|1,0,1]=4 5802 B12R0.233 NC(=O)CCCC(=O)CCCCO 1458a_100000695505_100102525003 [0,2,0,0,0,0|1,0,0]=3 5803 B12R0.233 NC(=O)CCCC(=O)COCCO 1458a_100000708028_100102525003 [0,2,0,0,0,0|1,0,0]=3 5804 B12R0.233 NC(=O)CCNC(=O)CNCCF 2230a_200138414118_100011217306 [0,2,0,0,0,0|2,0,0]=4 5805 B12R0.233 NC(=O)CCNC(=O)CNCCO 2230a_200138414118_100000211926 [0,2,0,0,0,0|2,0,0]=4 5806 B12R0.233 NC(=O)CCNC(=O)COCCO 240690a_100000740010_100000708028 [0,2,0,0,0,0|2,0,0]=4 5807 B12R0.233 NC(=O)CCNC(=O)NCCCF 2708a_100015189416_100000740010 [0,2,0,0,0,0|2,0,0]=4 5808 B12R0.233 NC(=O)CCNC(=O)NCCCF 273464a_100000740010_100015189416 [0,2,0,0,0,0|2,0,0]=4 5809 B12R0.233 NC(=O)CCNC(=O)NCCCF 273464a_100015189416_100000740010 [0,2,0,0,0,0|2,0,0]=4 5810 B12R0.233 NC(=O)CCNC(=O)NCCCF 512a_100015189416_100000740010 [0,2,0,0,0,0|2,0,0]=4 5811 B12R0.233 NC(=O)CCNC(=O)NCCCO 273464a_100000182051_100000740010 [0,2,0,0,0,0|2,0,0]=4 5812 B12R0.233 NC(=O)CCNC(=O)NCCCO 273464a_100000740010_100000182051 [0,2,0,0,0,0|2,0,0]=4 5813 B12R0.233 NC(=O)COCC(=O)CCCCF 1458a_100011219004_100000729493 [0,2,0,0,0,0|2,0,0]=4 5814 B12R0.233 NC(=O)COCC(=O)CCCCO 1458a_100011219004_100000210776 [0,2,0,0,0,0|2,0,0]=4 5815 B12R0.233 NC(=O)COCC(=O)NCCCF 1626a_100015189416_100011219004 [0,2,0,0,0,0|2,0,0]=4 5816 B12R0.233 NC(=O)COCC(=O)NCCCF 240690a_100015189416_100011219004 [0,2,0,0,0,0|2,0,0]=4 5817 B12R0.233 NC(=O)COCC(=O)NCCCF 527a_100015189416_100011219004 [0,2,0,0,0,0|2,0,0]=4 5818 B12R0.233 NC(=O)COCC(=O)NCCCO 240690a_100000182051_100011219004 [0,2,0,0,0,0|2,0,0]=4 5819 B12R0.233 NC(=O)COCC(=O)NCCCO 527a_100000182051_100011219004 [0,2,0,0,0,0|2,0,0]=4 5820 B12R0.233 NC(=O)CSCC(=O)NCCCF 11a_100015189416_100000150265 [0,2,0,0,0,0|2,0,0]=4 5821 B12R0.233 NC(=O)CSCC(=O)NCCCF 240690a_100015189416_100000150265 [0,2,0,0,0,0|2,0,0]=4 5822 B12R0.233 NC(=O)CSCC(=O)NCCCF 527a_100015189416_100000150265 [0,2,0,0,0,0|2,0,0]=4 5823 B12R0.233 NC(=O)CSCC(=O)NCCCO 240690a_100000182051_100000150265 [0,2,0,0,0,0|2,0,0]=4 5824 B12R0.233 NC(=O)CSCC(=O)NCCCO 527a_100000182051_100000150265 [0,2,0,0,0,0|2,0,0]=4 5825 B12R0.233 NC(=O)NCCC(=O)CCCCF 1458a_100000181464_100000729493 [0,2,0,0,0,0|2,0,0]=4 5826 B12R0.233 NC(=O)NCCC(=O)CCCCO 1458a_100000181464_100000210776 [0,2,0,0,0,0|2,0,0]=4 5827 B12R0.233 NC(=O)NCCC(=O)CCCCO 1458a_100000695505_200000034859 [0,2,0,0,0,0|2,0,0]=4 5828 B12R0.233 NC(=O)NCCC(=O)COCCO 1458a_100000708028_200000034859 [0,2,0,0,0,0|2,0,0]=4 5829 B12R0.233 NC(=O)NCCC(=O)NCCCF 240690a_100015189416_100000181464 [0,2,0,0,0,0|2,0,0]=4 5830 B12R0.233 NC(=O)NCCC(=O)NCCCF 527a_100015189416_100000181464 [0,2,0,0,0,0|2,0,0]=4 5831 B12R0.233 NC(=O)NCCC(=O)NCCCO 240690a_100000182051_100000181464 [0,2,0,0,0,0|2,0,0]=4 5832 B12R0.233 NC(=O)NCCC(=O)NCCCO 527a_100000182051_100000181464 [0,2,0,0,0,0|2,0,0]=4 5833 B12R0.233 NC(=O)OCCC(=O)CCCCO 1458a_100000695505_200011214921 [0,2,0,0,0,0|2,0,0]=4 5834 B12R0.233 NC(=O)OCCC(=O)COCCO 1458a_100000708028_200011214921 [0,2,0,0,0,0|2,0,0]=4 5835 B12R0.233 O=C(CCCCF)CCC[N+](=O)[O-] 1458a_100016109205_100000729493 [0,2,0,0,0,0|1,0,1]=4 5836 B12R0.233 O=C(CCCCO)CCC[N+](=O)[O-] 1458a_100016109205_100000210776 [0,2,0,0,0,0|1,0,1]=4 5837 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCF 11a_100015189416_100016109205 [0,2,0,0,0,0|1,0,1]=4 5838 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCF 1626a_100015189416_100016109205 [0,2,0,0,0,0|1,0,1]=4 5839 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCF 240690a_100015189416_100016109205 [0,2,0,0,0,0|1,0,1]=4 5840 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCF 527a_100015189416_100016109205 [0,2,0,0,0,0|1,0,1]=4 5841 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCO 240690a_100000182051_100016109205 [0,2,0,0,0,0|1,0,1]=4 5842 B12R0.233 O=C(CCC[N+](=O)[O-])NCCCO 527a_100000182051_100016109205 [0,2,0,0,0,0|1,0,1]=4 5843 B12R0.233 [N-]=[N+]=NCCC(=O)CCCC(=O)N 1458a_100000688302_100102525003 [0,2,0,0,0,0|2,0,0]=4 5844 B12R0.265 CCCC(=O)CCCC(OC)OC 1458a_100000211992_100000069011 [0,2,0,0,0,0|0,0,2]=4 5845 B12R0.285 C#CCC(=O)CCCC(=O)NCC 1458a_100000199580_100000184674 [0,2,0,0,0,0|2,0,0]=4 5846 B12R0.285 C#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000184674 [0,2,0,0,0,0|0,0,2]=4 5847 B12R0.285 C#CCC(=O)CCCC(=O)OCC 1458a_100011220946_100011215271 [0,2,0,0,0,0|0,0,2]=4 5848 B12R0.285 C=CCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210623 [0,2,0,0,0,0|2,0,0]=4 5849 B12R0.285 C=CCC(=O)CCCC(=O)OCC 1458a_100000210193_100011215271 [0,2,0,0,0,0|0,0,2]=4 5850 B12R0.285 C=CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210623 [0,2,0,0,0,0|0,0,2]=4 5851 B12R0.285 C=COC(=O)CNCC(=O)NCC 2230a_100016988866_100000036128 [0,2,0,0,0,0|2,0,0]=4 5852 B12R0.285 C=COC(=O)CSCC(=O)CCC 62a_100000036128_100000747444 [0,2,0,0,0,0|1,0,0]=3 5853 B12R0.285 C=COC(=O)CSCC(=O)CCC 62a_100000747444_100000036128 [0,2,0,0,0,0|1,0,0]=3 5854 B12R0.285 C=COC(=O)CSCC(=O)NCC 62a_100000036128_100000183381 [0,2,0,0,0,0|2,0,0]=4 5855 B12R0.285 C=COC(=O)CSCC(=O)NCC 62a_100000183381_100000036128 [0,2,0,0,0,0|2,0,0]=4 5856 B12R0.285 C=COC(=O)CSCC(=O)OCC 62a_100000036128_100000188475 [0,2,0,0,0,0|2,0,0]=4 5857 B12R0.285 C=COC(=O)CSCC(=O)OCC 62a_100000188475_100000036128 [0,2,0,0,0,0|2,0,0]=4 5858 B12R0.285 CC#CC(=O)CCCC(=O)OCC 1458a_100000763181_100011215271 [0,2,0,0,0,0|0,0,2]=4 5859 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [0,2,0,0,0,0|0,0,2]=4 5860 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,2,0,0,0,0|1,0,0]=3 5861 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,2,0,0,0,0|0,0,0]=2 5862 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,2,0,0,0,0|0,0,0]=2 5863 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,2,0,0,0,0|1,0,0]=3 5864 B12R0.285 CCCC(=O)CNCC(=O)NCC 2230a_100016988866_100000747444 [0,2,0,0,0,0|2,0,0]=4 5865 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [0,2,0,0,0,0|2,0,0]=4 5866 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000183381_100000747444 [0,2,0,0,0,0|2,0,0]=4 5867 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000747444_100000183381 [0,2,0,0,0,0|2,0,0]=4 5868 B12R0.285 CCCC(=O)CSCC(=O)NCO 62a_100000185155_100000747444 [0,2,0,0,0,0|1,0,0]=3 5869 B12R0.285 CCCC(=O)CSCC(=O)NCO 62a_100000747444_100000185155 [0,2,0,0,0,0|1,0,0]=3 5870 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,2,0,0,0,0|1,0,0]=3 5871 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,2,0,0,0,0|1,0,0]=3 5872 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,2,0,0,0,0|2,0,0]=4 5873 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,2,0,0,0,0|2,0,0]=4 5874 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,2,0,0,0,0|2,0,0]=4 5875 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,2,0,0,0,0|2,0,0]=4 5876 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,2,0,0,0,0|1,0,0]=3 5877 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [0,2,0,0,0,0|2,0,0]=4 5878 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [0,2,0,0,0,0|2,0,0]=4 5879 B12R0.285 CCNC(=O)CCCC(=O)CC#N 1458a_100000199580_100011214920 [0,2,0,0,0,0|2,0,0]=4 5880 B12R0.285 CCNC(=O)CCCC(=O)CCF 1458a_100000199580_100011217306 [0,2,0,0,0,0|2,0,0]=4 5881 B12R0.285 CCNC(=O)CCCC(=O)CCO 1458a_100000199580_100000211926 [0,2,0,0,0,0|1,0,0]=3 5882 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [0,2,0,0,0,0|2,0,0]=4 5883 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [0,2,0,0,0,0|2,0,0]=4 5884 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [0,2,0,0,0,0|2,0,0]=4 5885 B12R0.285 CCNC(=O)CCCC(=O)NNC 22a_100016993582_100000199580 [0,2,0,0,0,0|2,0,0]=4 5886 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,2,0,0,0,0|1,0,0]=3 5887 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,2,0,0,0,0|1,0,0]=3 5888 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,2,0,0,0,0|1,0,0]=3 5889 B12R0.285 CCNC(=O)CCNC(=O)CCO 240690a_100025743525_100011216618 [0,2,0,0,0,0|2,0,0]=4 5890 B12R0.285 CCNC(=O)CCNC(=O)COC 11a_100025743525_100000210968 [0,2,0,0,0,0|2,0,0]=4 5891 B12R0.285 CCNC(=O)CCNC(=O)COC 1626a_100025743525_100000210968 [0,2,0,0,0,0|2,0,0]=4 5892 B12R0.285 CCNC(=O)CCNC(=O)COC 240690a_100025743525_100000210968 [0,2,0,0,0,0|2,0,0]=4 5893 B12R0.285 CCNC(=O)CCNC(=O)COC 527a_100025743525_100000210968 [0,2,0,0,0,0|2,0,0]=4 5894 B12R0.285 CCNC(=O)CNCC(=O)NCO 2230a_100016988866_100000185155 [0,2,0,0,0,0|2,0,0]=4 5895 B12R0.285 CCNC(=O)CNCC(=O)OCC 2230a_100016988866_100000188475 [0,2,0,0,0,0|2,0,0]=4 5896 B12R0.285 CCNC(=O)CSCC(=O)NCO 62a_100000183381_100000185155 [0,2,0,0,0,0|2,0,0]=4 5897 B12R0.285 CCNC(=O)CSCC(=O)NCO 62a_100000185155_100000183381 [0,2,0,0,0,0|2,0,0]=4 5898 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000183381_100000188475 [0,2,0,0,0,0|2,0,0]=4 5899 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183381 [0,2,0,0,0,0|2,0,0]=4 5900 B12R0.285 CCOC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215271 [0,2,0,0,0,0|2,0,0]=4 5901 B12R0.285 CCOC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215271 [0,2,0,0,0,0|2,0,0]=4 5902 B12R0.285 CCOC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215271 [0,2,0,0,0,0|2,0,0]=4 5903 B12R0.285 CCOC(=O)CCCC(=O)CC#N 1458a_100000210991_100011214920 [0,2,0,0,0,0|1,0,1]=4 5904 B12R0.285 CCOC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215271 [0,2,0,0,0,0|1,0,1]=4 5905 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,2,0,0,0,0|1,0,0]=3 5906 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,2,0,0,0,0|1,0,0]=3 5907 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,2,0,0,0,0|1,0,0]=3 5908 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,2,0,0,0,0|1,0,0]=3 5909 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,2,0,0,0,0|1,0,0]=3 5910 B12R0.285 CCOC(=O)CCCC(=O)NNC 22a_100016993582_100000210991 [0,2,0,0,0,0|2,0,0]=4 5911 B12R0.285 CCOC(=O)CCNC(=O)COC 188690a_100000746078_100000210968 [0,2,0,0,0,0|2,0,0]=4 5912 B12R0.285 CCOC(=O)CCNC(=O)CSC 188690a_100000746078_100000184570 [0,2,0,0,0,0|2,0,0]=4 5913 B12R0.285 CCOC(=O)CSCC(=O)NCO 62a_100000185155_100000188475 [0,2,0,0,0,0|2,0,0]=4 5914 B12R0.285 CCOC(=O)CSCC(=O)NCO 62a_100000188475_100000185155 [0,2,0,0,0,0|2,0,0]=4 5915 B12R0.285 CCOC(=O)CSCC(=O)OCC 62a_100000188475_100000188475 [0,2,0,0,0,0|2,0,0]=4 5916 B12R0.285 CCOC(=O)NCCC(=O)CCO 1458a_100011216618_200011445536 [0,2,0,0,0,0|2,0,0]=4 5917 B12R0.285 CCOC(=O)NCCC(=O)COC 1458a_100000210968_200011445536 [0,2,0,0,0,0|2,0,0]=4 5918 B12R0.285 CCOC(=O)NCCC(=O)CSC 1458a_100000184570_200011445536 [0,2,0,0,0,0|2,0,0]=4 5919 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [1,0,0,1,0,0|2,0,0]=4 5920 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [1,0,0,1,0,0|2,0,0]=4 5921 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [1,0,0,1,0,0|2,0,0]=4 5922 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [1,0,0,1,0,0|2,0,0]=4 5923 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [1,0,0,1,0,0|2,0,0]=4 5924 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [1,0,0,1,0,0|2,0,0]=4 5925 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [1,0,0,1,0,0|1,0,0]=3 5926 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [1,0,0,1,0,0|1,0,1]=4 5927 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [1,0,0,1,0,0|2,0,0]=4 5928 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [1,0,0,1,0,0|2,0,0]=4 5929 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [1,0,0,1,0,0|0,0,0]=2 5930 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [1,0,0,1,0,0|2,0,0]=4 5931 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [1,0,0,1,0,0|2,0,0]=4 5932 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [1,0,0,1,0,0|1,0,0]=3 5933 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [1,0,0,1,0,0|1,0,0]=3 5934 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [1,0,0,1,0,0|1,0,0]=3 5935 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [1,0,0,1,0,0|1,0,0]=3 5936 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [1,0,0,1,0,0|2,0,0]=4 5937 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [1,0,0,1,0,0|1,0,0]=3 5938 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [1,0,0,1,0,0|2,0,0]=4 5939 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [1,0,0,1,0,0|2,0,0]=4 5940 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [1,0,0,1,0,0|2,0,0]=4 5941 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [1,0,0,1,0,0|2,0,0]=4 5942 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [1,0,0,1,0,0|2,0,0]=4 5943 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [1,0,0,1,0,0|1,0,0]=3 5944 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [1,0,0,1,0,0|2,0,0]=4 5945 B10R1.117 NC(=O)CSC1CCC1=O 62a_100000747473_100009892977 [1,0,0,1,0,0|2,0,0]=4 5946 B10R1.117 NC(=O)CSC1CCC1=O 62a_100009892977_100000747473 [1,0,0,1,0,0|2,0,0]=4 5947 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [1,0,0,1,0,0|1,0,0]=3 5948 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100009892977_100020667443 [1,0,0,1,0,0|1,0,1]=4 5949 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100020667443_100009892977 [1,0,0,1,0,0|1,0,1]=4 5950 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [1,0,0,1,0,0|1,0,0]=3 5951 B10R1.150 O=C(CO)CC1CC(=O)C1 1458a_100000210174_100009874392 [1,0,0,1,0,0|2,0,0]=4 5952 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [1,0,0,1,0,0|1,0,1]=4 5953 B10R1.168 CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210202 [1,0,0,1,0,0|2,0,0]=4 5954 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [1,0,0,1,0,0|2,0,0]=4 5955 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [1,0,0,1,0,0|2,0,0]=4 5956 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [1,0,0,1,0,0|2,0,0]=4 5957 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [1,0,0,1,0,0|2,0,0]=4 5958 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|2,0,0]=4 5959 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [1,0,0,1,0,0|2,0,0]=4 5960 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [1,0,0,1,0,0|2,0,0]=4 5961 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|1,0,1]=4 5962 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|1,0,1]=4 5963 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|2,0,0]=4 5964 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|2,0,0]=4 5965 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|1,0,1]=4 5966 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|2,0,0]=4 5967 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [1,0,0,1,0,0|2,0,0]=4 5968 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [1,0,0,1,0,0|2,0,0]=4 5969 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [1,0,0,1,0,0|2,0,0]=4 5970 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|1,0,1]=4 5971 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|1,0,1]=4 5972 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|1,0,1]=4 5973 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|1,0,1]=4 5974 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [1,0,0,1,0,0|2,0,0]=4 5975 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|1,0,1]=4 5976 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [1,0,0,1,0,0|2,0,0]=4 5977 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|1,0,1]=4 5978 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|1,0,1]=4 5979 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|2,0,0]=4 5980 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [1,0,0,1,0,0|1,0,1]=4 5981 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|1,0,1]=4 5982 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|2,0,0]=4 5983 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [1,0,0,1,0,0|1,0,0]=3 5984 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [1,0,0,1,0,0|2,0,0]=4 5985 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [1,0,0,1,0,0|2,0,0]=4 5986 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [1,0,0,1,0,0|2,0,0]=4 5987 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [1,0,0,1,0,0|2,0,0]=4 5988 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [1,0,0,1,0,0|2,0,0]=4 5989 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [1,0,0,1,0,0|2,0,0]=4 5990 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [1,0,0,1,0,0|2,0,0]=4 5991 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [1,0,0,1,0,0|2,0,0]=4 5992 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [1,0,0,1,0,0|2,0,0]=4 5993 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [1,0,0,1,0,0|2,0,0]=4 5994 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [1,0,0,1,0,0|1,0,1]=4 5995 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [1,0,0,1,0,0|1,0,1]=4 5996 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|1,0,1]=4 5997 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|1,0,1]=4 5998 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [1,0,0,1,0,0|1,0,1]=4 5999 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|1,0,1]=4 6000 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [1,0,0,1,0,0|1,0,1]=4 6001 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,0,0,1,0,0|1,0,1]=4 6002 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,0,0,1,0,0|1,0,1]=4 6003 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [1,0,0,1,0,0|0,1,1]=4 6004 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [1,0,0,1,0,0|2,0,0]=4 6005 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [1,0,0,1,0,0|2,0,0]=4 6006 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,0,0,1,0,0|0,0,1]=3 6007 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [1,0,0,1,0,0|1,0,1]=4 6008 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [1,0,0,1,0,0|1,0,1]=4 6009 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [1,0,0,1,0,0|1,0,1]=4 6010 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [1,0,0,1,0,0|1,0,1]=4 6011 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [1,0,0,1,0,0|1,0,1]=4 6012 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [1,0,0,1,0,0|2,0,0]=4 6013 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [1,0,0,1,0,0|2,0,0]=4 6014 B10R1.29 C=CCNC1CCCC1=O 2230a_100020586998_100000211823 [1,0,0,1,0,0|2,0,0]=4 6015 B10R1.29 C=CCOC1CCCC1=O 34a_200000210373_100000709159 [1,0,0,1,0,0|2,0,0]=4 6016 B10R1.29 C=CCOC1CCCC1=O 34a_200000719330_100015514636 [1,0,0,1,0,0|2,0,0]=4 6017 B10R1.29 C=CCSC1CCCC1=O 62a_100000210623_100000211823 [1,0,0,1,0,0|2,0,0]=4 6018 B10R1.29 C=CCSC1CCCC1=O 62a_100000211823_100000210623 [1,0,0,1,0,0|2,0,0]=4 6019 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [1,0,0,1,0,0|1,0,1]=4 6020 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [1,0,0,1,0,0|1,0,1]=4 6021 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [1,0,0,1,0,0|1,0,1]=4 6022 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [1,0,0,1,0,0|1,0,1]=4 6023 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [1,0,0,1,0,0|1,0,1]=4 6024 B10R1.29 O=CCNC1CCNC1=O 2230a_100016995588_200015260668 [1,0,0,1,0,0|2,0,0]=4 6025 B10R1.29 O=CCNC1CCNC1=O 34a_100016995588_200009817547 [1,0,0,1,0,0|2,0,0]=4 6026 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [1,0,0,1,0,0|1,0,0]=3 6027 B10R1.29 O=CCO[C@H]1CCNC1=O 34a_100000688343_200009817547 [1,0,0,1,0,0|2,0,0]=4 6028 B10R1.29 O=CCSC1CCCC1=O 62a_100000211823_200015260668 [1,0,0,1,0,0|1,0,0]=3 6029 B10R1.29 O=CCSC1CCCC1=O 62a_200015260668_100000211823 [1,0,0,1,0,0|1,0,0]=3 6030 B10R1.29 O=CCSC1CCOC1=O 62a_100000211211_200015260668 [1,0,0,1,0,0|2,0,0]=4 6031 B10R1.29 O=CCSC1CCOC1=O 62a_200015260668_100000211211 [1,0,0,1,0,0|2,0,0]=4 6032 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [1,0,0,1,0,0|1,0,1]=4 6033 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [1,0,0,1,0,0|1,0,1]=4 6034 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,0,0,1,0,0|1,0,1]=4 6035 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,0,0,1,0,0|1,0,1]=4 6036 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [1,0,0,1,0,0|0,0,1]=3 6037 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [1,0,0,1,0,0|2,0,0]=4 6038 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [1,0,0,1,0,0|2,0,0]=4 6039 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [1,0,0,1,0,0|1,0,1]=4 6040 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [1,0,0,1,0,0|1,0,1]=4 6041 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [1,0,0,1,0,0|1,0,1]=4 6042 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,0,0,1,0,0|1,0,1]=4 6043 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,0,0,1,0,0|1,0,1]=4 6044 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [1,0,0,1,0,0|0,0,1]=3 6045 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [1,0,0,1,0,0|1,0,1]=4 6046 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [1,0,0,1,0,0|1,0,1]=4 6047 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [1,0,0,1,0,0|1,0,1]=4 6048 B10R1.139 C#CCC(=O)C1CCC1=O 1458a_100011220946_100009892977 [1,0,0,1,0,0|0,0,2]=4 6049 B10R1.139 C=CCC(=O)C1CCC1=O 1458a_100000210193_100009892977 [1,0,0,1,0,0|0,0,2]=4 6050 B10R1.139 CC#CC(=O)C1CCC1=O 1458a_100000763181_100009892977 [1,0,0,1,0,0|0,0,2]=4 6051 B10R1.139 CC=CC(=O)C1CCC1=O 1458a_100000210699_100009892977 [1,0,0,1,0,0|0,0,2]=4 6052 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [1,0,0,1,0,0|0,0,0]=2 6053 B10R1.139 CCCN(C)C1CCC1=O 269982a_100000747261_100009892977 [1,0,0,1,0,0|2,0,0]=4 6054 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [1,0,0,1,0,0|1,0,0]=3 6055 B10R1.139 CSCC(=O)C1CCC1=O 1458a_100000184570_100009892977 [1,0,0,1,0,0|1,0,0]=3 6056 B10R1.139 N#CCC(=O)C1CCC1=O 1458a_100051588842_100009892977 [1,0,0,1,0,0|1,0,1]=4 6057 B10R1.139 O=C(CCO)C1CCC1=O 1458a_100011216618_100009892977 [1,0,0,1,0,0|1,0,0]=3 6058 B10R1.186 C#CCCCC(=O)C1CC1 1458a_100000210395_100000731252 [1,0,0,1,0,0|1,0,1]=4 6059 B10R1.186 C=CCCCC(=O)C1CC1 1458a_100000210395_100000757094 [1,0,0,1,0,0|1,0,0]=3 6060 B10R1.186 C=CCCCC(=O)C1CO1 1458a_100000701028_100000757094 [1,0,0,1,0,0|2,0,0]=4 6061 B10R1.186 C=CCCNC(=O)C1CC1 11a_100015191253_100000210395 [1,0,0,1,0,0|2,0,0]=4 6062 B10R1.186 C=CCCNC(=O)C1CC1 1626a_100015191253_100000210395 [1,0,0,1,0,0|2,0,0]=4 6063 B10R1.186 C=CCCNC(=O)C1CC1 240690a_100015191253_100000210395 [1,0,0,1,0,0|2,0,0]=4 6064 B10R1.186 C=CCCNC(=O)C1CC1 527a_100015191253_100000210395 [1,0,0,1,0,0|2,0,0]=4 6065 B10R1.186 C=CCNCC(=O)C1CC1 2230a_100020586998_100000746382 [1,0,0,1,0,0|2,0,0]=4 6066 B10R1.186 C=CCOCC(=O)C1CC1 34a_100000686663_100015514636 [1,0,0,1,0,0|2,0,0]=4 6067 B10R1.186 C=CCOCC(=O)C1CC1 34a_200000210373_100000746382 [1,0,0,1,0,0|2,0,0]=4 6068 B10R1.186 C=CCSCC(=O)C1CC1 62a_100000210623_100000746382 [1,0,0,1,0,0|2,0,0]=4 6069 B10R1.186 C=CCSCC(=O)C1CC1 62a_100000746382_100000210623 [1,0,0,1,0,0|2,0,0]=4 6070 B10R1.186 C=COCCC(=O)C1CC1 1458a_100000210395_100000039644 [1,0,0,1,0,0|2,0,0]=4 6071 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [1,0,0,1,0,0|1,0,1]=4 6072 B10R1.186 CN(CCCC=O)C1CC1 2230a_100000226674_200011292268 [1,0,0,1,0,0|2,0,0]=4 6073 B10R1.186 CN(CCCC=O)C1CC1 269982a_100000226674_200011292268 [1,0,0,1,0,0|2,0,0]=4 6074 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [1,0,0,1,0,0|2,0,0]=4 6075 B10R1.186 N#CCCCC(=O)C1CC1 1458a_100000210395_100000211468 [1,0,0,1,0,0|1,0,1]=4 6076 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [1,0,0,1,0,0|1,0,1]=4 6077 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [1,0,0,1,0,0|0,0,1]=3 6078 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [1,0,0,1,0,0|1,0,1]=4 6079 B10R1.186 O=C(CNCCO)C1CC1 2230a_100016997473_100000746382 [1,0,0,1,0,0|1,0,1]=4 6080 B10R1.186 O=C(CNCCO)C1CC1 34a_100016990907_100000746382 [1,0,0,1,0,0|1,0,1]=4 6081 B10R1.186 O=C(COCCO)C1CC1 34a_100000686663_100000211926 [1,0,0,1,0,0|1,0,1]=4 6082 B10R1.186 O=C(CSCCO)C1CC1 62a_100000211926_100000746382 [1,0,0,1,0,0|1,0,1]=4 6083 B10R1.186 O=C(CSCCO)C1CC1 62a_100000746382_100000211926 [1,0,0,1,0,0|1,0,1]=4 6084 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [1,0,0,1,0,0|1,0,1]=4 6085 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [1,0,0,1,0,0|1,0,1]=4 6086 B10R1.186 O=CCOCC(=O)C1CC1 34a_100000686663_200009817547 [1,0,0,1,0,0|1,0,0]=3 6087 B10R1.186 O=CCSCC(=O)C1CC1 62a_100000746382_200015260668 [1,0,0,1,0,0|1,0,0]=3 6088 B10R1.186 O=CCSCC(=O)C1CC1 62a_200015260668_100000746382 [1,0,0,1,0,0|1,0,0]=3 6089 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [1,0,0,1,0,0|1,0,0]=3 6090 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [1,0,0,1,0,0|1,0,0]=3 6091 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [1,0,0,1,0,0|1,0,0]=3 6092 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [1,0,0,1,0,0|1,0,0]=3 6093 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [1,0,0,1,0,0|1,0,0]=3 6094 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [1,0,0,1,0,0|1,0,0]=3 6095 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,0,0,1,1,0|2,0,0]=4 6096 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,1,0|2,0,0]=4 6097 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,0,0,1,1,0|2,0,0]=4 6098 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,1,0|2,0,0]=4 6099 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,0,0,1,1,0|2,0,0]=4 6100 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,0,0,1,1,0|1,0,0]=3 6101 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,0,0,1,1,0|1,0,1]=4 6102 B10R1.140 CCNC(=O)[C@@H]1CC(=O)N1 527a_100015525214_100016090685 [0,0,0,1,1,0|2,0,0]=4 6103 B10R1.140 O=C1C[C@H](N1)C(=O)CCF 1458a_100016090685_100011217306 [0,0,0,1,1,0|2,0,0]=4 6104 B10R1.140 O=C1C[C@H](N1)C(=O)CCO 1458a_100016090685_100000211926 [0,0,0,1,1,0|2,0,0]=4 6105 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,0,0,1,1,0|2,0,0]=4 6106 B10R1.211 CC(=O)COC(=O)C1CC1 1458a_100000070787_100000140896 [0,0,0,1,1,0|2,0,0]=4 6107 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,0,0,1,1,0|1,0,1]=4 6108 B10R1.211 NC(=O)CNC(=O)C1CC1 11a_100000711301_100000210395 [0,0,0,1,1,0|2,0,0]=4 6109 B10R1.211 NC(=O)CNC(=O)C1CC1 240690a_100000711301_100000210395 [0,0,0,1,1,0|2,0,0]=4 6110 B10R1.211 NC(=O)CNC(=O)C1CC1 527a_100000711301_100000210395 [0,0,0,1,1,0|2,0,0]=4 6111 B12R1.17 CCCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210303 [0,0,0,1,0,1|1,0,1]=4 6112 B12R1.17 CCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210303 [0,0,0,1,0,1|1,0,0]=3 6113 B12R1.17 CCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210303 [0,0,0,1,0,1|1,0,0]=3 6114 B12R1.17 CCCC(=O)N1CCCC(C1)O 240690a_100000211013_100000211992 [0,0,0,1,0,1|1,0,1]=4 6115 B12R1.17 CCCC(=O)N1CCCC(C1)O 527a_100000211013_100000211992 [0,0,0,1,0,1|1,0,1]=4 6116 B12R1.17 CCCC(=O)N1CCNC(=O)C1 11a_100000184651_100000211992 [0,0,0,1,0,1|2,0,0]=4 6117 B12R1.17 CCCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000211992 [0,0,0,1,0,1|2,0,0]=4 6118 B12R1.17 CCCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000211992 [0,0,0,1,0,1|2,0,0]=4 6119 B12R1.17 CCCC(=O)N1CCNC(=O)C1 527a_100000184651_100000211992 [0,0,0,1,0,1|2,0,0]=4 6120 B12R1.17 CCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000211992 [0,0,0,1,0,1|2,0,0]=4 6121 B12R1.17 CCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000211992 [0,0,0,1,0,1|2,0,0]=4 6122 B12R1.17 CCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000211992 [0,0,0,1,0,1|2,0,0]=4 6123 B12R1.17 CCCC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_100000210303 [0,0,0,1,0,1|2,0,0]=4 6124 B12R1.17 CCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210303 [0,0,0,1,0,1|1,0,0]=3 6125 B12R1.17 CCNC(=O)C1CCNC(=O)C1 11a_100015525214_100000132800 [0,0,0,1,0,1|2,0,0]=4 6126 B12R1.17 CCNC(=O)C1CCNC(=O)C1 240690a_100015525214_100000132800 [0,0,0,1,0,1|2,0,0]=4 6127 B12R1.17 CCNC(=O)C1CCNC(=O)C1 527a_100015525214_100000132800 [0,0,0,1,0,1|2,0,0]=4 6128 B12R1.17 CCNC(=O)C1CSCC(=O)N1 240690a_100015525214_100000045068 [0,0,0,1,0,1|2,0,0]=4 6129 B12R1.17 CCNC(=O)C1CSCC(=O)N1 527a_100015525214_100000045068 [0,0,0,1,0,1|2,0,0]=4 6130 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 240690a_100015525214_100000705292 [0,0,0,1,0,1|2,0,0]=4 6131 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 527a_100015525214_100000705292 [0,0,0,1,0,1|2,0,0]=4 6132 B12R1.17 O=C1CC(CCN1)C(=O)CCF 1458a_100000132800_100011217306 [0,0,0,1,0,1|2,0,0]=4 6133 B12R1.17 O=C1CC(CCN1)C(=O)CCO 1458a_100000132800_100000211926 [0,0,0,1,0,1|2,0,0]=4 6134 B12R1.17 O=C1CCC[C@@H](N1)C(=O)CCF 1458a_100000705292_100011217306 [0,0,0,1,0,1|2,0,0]=4 6135 B12R1.17 O=C1CCC[C@@H](N1)C(=O)CCO 1458a_100000705292_100000211926 [0,0,0,1,0,1|2,0,0]=4 6136 B12R1.17 O=C1CSCC(N1)C(=O)CCF 1458a_100000045068_100011217306 [0,0,0,1,0,1|2,0,0]=4 6137 B12R1.17 O=C1CSCC(N1)C(=O)CCO 1458a_100000045068_100000211926 [0,0,0,1,0,1|2,0,0]=4 6138 B12R1.31 C#CCC(=O)CC1CNC(=O)O1 1458a_100011220946_100000181169 [0,0,0,1,0,1|0,0,2]=4 6139 B12R1.31 C#CCC(=O)CC1COC(=O)O1 1458a_100011220946_100000073702 [0,0,0,1,0,1|0,0,2]=4 6140 B12R1.31 C=CCC(=O)CC1CNC(=O)O1 1458a_100000210193_100000181169 [0,0,0,1,0,1|0,0,2]=4 6141 B12R1.31 C=CCC(=O)CC1COC(=O)O1 1458a_100000210193_100000073702 [0,0,0,1,0,1|0,0,2]=4 6142 B12R1.31 CC#CC(=O)CC1CNC(=O)O1 1458a_100000763181_100000181169 [0,0,0,1,0,1|0,0,2]=4 6143 B12R1.31 CC#CC(=O)CC1COC(=O)O1 1458a_100000763181_100000073702 [0,0,0,1,0,1|0,0,2]=4 6144 B12R1.31 CC=CC(=O)CC1CNC(=O)O1 1458a_100000210699_100000181169 [0,0,0,1,0,1|0,0,2]=4 6145 B12R1.31 CC=CC(=O)CC1COC(=O)O1 1458a_100000210699_100000073702 [0,0,0,1,0,1|0,0,2]=4 6146 B12R1.31 CCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210303 [0,0,0,1,0,1|1,0,0]=3 6147 B12R1.31 CCCC(=O)CC1CNC(=O)O1 1458a_100000211992_100000181169 [0,0,0,1,0,1|0,0,0]=2 6148 B12R1.31 CCCC(=O)CC1COC(=O)O1 1458a_100000211992_100000073702 [0,0,0,1,0,1|0,0,0]=2 6149 B12R1.31 CCCC(=O)CN1CCC(=N1)C 1458a_100015183194_100000210303 [0,0,0,1,0,1|2,0,0]=4 6150 B12R1.31 CCCC(=O)CN1CCC(C1)O 2230a_100011215560_100000747444 [0,0,0,1,0,1|1,0,1]=4 6151 B12R1.31 CCCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747444 [0,0,0,1,0,1|1,0,1]=4 6152 B12R1.31 CCCC(=O)CN1CNC(=O)C1 2230a_200000708111_100000747444 [0,0,0,1,0,1|2,0,0]=4 6153 B12R1.31 CCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000211992_100015189358 [0,0,0,1,0,1|1,0,0]=3 6154 B12R1.31 CCCC(=O)C[C@H]1COC(=O)N1 1458a_100000211992_100015307671 [0,0,0,1,0,1|1,0,0]=3 6155 B12R1.31 CCCC(=O)NC1CNC(=O)C1 11a_100000697751_100000211992 [0,0,0,1,0,1|2,0,0]=4 6156 B12R1.31 CCCC(=O)NC1CNC(=O)C1 1626a_100000697751_100000211992 [0,0,0,1,0,1|2,0,0]=4 6157 B12R1.31 CCCC(=O)NC1CNC(=O)C1 240690a_100000697751_100000211992 [0,0,0,1,0,1|2,0,0]=4 6158 B12R1.31 CCCC(=O)NC1CNC(=O)C1 527a_100000697751_100000211992 [0,0,0,1,0,1|2,0,0]=4 6159 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000211992 [0,0,0,1,0,1|1,0,1]=4 6160 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000211992 [0,0,0,1,0,1|1,0,1]=4 6161 B12R1.31 CCCN(C)CC1CNC(=O)O1 2230a_100000747261_100000181169 [0,0,0,1,0,1|2,0,0]=4 6162 B12R1.31 CCCN(C)CC1CNC(=O)O1 269982a_100000747261_100000181169 [0,0,0,1,0,1|2,0,0]=4 6163 B12R1.31 CCCN(C)CC1COC(=O)O1 269982a_100000747261_100000073702 [0,0,0,1,0,1|2,0,0]=4 6164 B12R1.31 CCNC(=O)CC1CCC(=O)N1 240690a_100015525214_100000026770 [0,0,0,1,0,1|2,0,0]=4 6165 B12R1.31 COCC(=O)CC1CNC(=O)O1 1458a_100000210968_100000181169 [0,0,0,1,0,1|1,0,0]=3 6166 B12R1.31 COCC(=O)CC1COC(=O)O1 1458a_100000210968_100000073702 [0,0,0,1,0,1|1,0,0]=3 6167 B12R1.31 COCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210968_100015189358 [0,0,0,1,0,1|2,0,0]=4 6168 B12R1.31 COCC(=O)C[C@H]1COC(=O)N1 1458a_100000210968_100015307671 [0,0,0,1,0,1|2,0,0]=4 6169 B12R1.31 CSCC(=O)CC1CNC(=O)O1 1458a_100000184570_100000181169 [0,0,0,1,0,1|1,0,0]=3 6170 B12R1.31 CSCC(=O)CC1COC(=O)O1 1458a_100000184570_100000073702 [0,0,0,1,0,1|1,0,0]=3 6171 B12R1.31 CSCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000184570_100015189358 [0,0,0,1,0,1|2,0,0]=4 6172 B12R1.31 CSCC(=O)C[C@H]1COC(=O)N1 1458a_100000184570_100015307671 [0,0,0,1,0,1|2,0,0]=4 6173 B12R1.31 N#CCC(=O)CC1CNC(=O)O1 1458a_100051588842_100000181169 [0,0,0,1,0,1|1,0,1]=4 6174 B12R1.31 N#CCC(=O)CC1COC(=O)O1 1458a_100051588842_100000073702 [0,0,0,1,0,1|1,0,1]=4 6175 B12R1.31 O=C(CCF)CC1CCC(=O)N1 1458a_100000026770_100011217306 [0,0,0,1,0,1|2,0,0]=4 6176 B12R1.31 O=C(CCO)CC1CCC(=O)N1 1458a_100000026770_100000211926 [0,0,0,1,0,1|2,0,0]=4 6177 B12R1.31 O=C(CCO)CC1CNC(=O)O1 1458a_100011216618_100000181169 [0,0,0,1,0,1|1,0,0]=3 6178 B12R1.31 O=C(CCO)CC1COC(=O)O1 1458a_100011216618_100000073702 [0,0,0,1,0,1|1,0,0]=3 6179 B12R1.31 O=C(CCO)C[C@@H]1CCC(=O)N1 1458a_100011216618_100015189358 [0,0,0,1,0,1|2,0,0]=4 6180 B12R1.31 O=C(CCO)C[C@H]1COC(=O)N1 1458a_100011216618_100015307671 [0,0,0,1,0,1|2,0,0]=4 6181 B12R1.87 CCC1C(=O)NCCN1C(=O)C 11a_100000187962_100015343762 [0,0,0,1,0,1|2,0,0]=4 6182 B12R1.87 CCC1C(=O)NCCN1C(=O)C 1626a_100000187962_100015343762 [0,0,0,1,0,1|2,0,0]=4 6183 B12R1.87 CCC1C(=O)NCCN1C(=O)C 240690a_100000187962_100015343762 [0,0,0,1,0,1|2,0,0]=4 6184 B12R1.87 CCC1C(=O)NCCN1C(=O)C 527a_100000187962_100103153847 [0,0,0,1,0,1|2,0,0]=4 6185 B12R1.130 C=C(Br)CCOC1CCCC1=O 34a_100009813270_100000709159 [0,0,0,1,0,1|2,0,0]=4 6186 B12R1.130 C=C(C)CCOC1CCCC1=O 34a_100000764851_100000709159 [0,0,0,1,0,1|2,0,0]=4 6187 B12R1.130 C=C(C)CCOC1CCCC1=O 34a_200000719330_100000730704 [0,0,0,1,0,1|2,0,0]=4 6188 B12R1.130 C=C(C)CCSC1CCCC1=O 62a_100000211823_100000730704 [0,0,0,1,0,1|2,0,0]=4 6189 B12R1.130 C=C(C)CCSC1CCCC1=O 62a_100000730704_100000211823 [0,0,0,1,0,1|2,0,0]=4 6190 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [0,0,0,1,0,1|1,0,0]=3 6191 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [0,0,0,1,0,1|1,0,0]=3 6192 B12R1.130 CC(=O)CCOC1CCOC1=O 34a_100000759926_100000211211 [0,0,0,1,0,1|2,0,0]=4 6193 B12R1.130 CC(=O)CCOC1CCOC1=O 7a_100000759926_100000211211 [0,0,0,1,0,1|2,0,0]=4 6194 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000053229_100000211823 [0,0,0,1,0,1|1,0,0]=3 6195 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000211823_100000053229 [0,0,0,1,0,1|1,0,0]=3 6196 B12R1.130 CC(=O)CCSC1CCOC1=O 62a_100000053229_100000211211 [0,0,0,1,0,1|2,0,0]=4 6197 B12R1.130 CC(=O)CCSC1CCOC1=O 62a_100000211211_100000053229 [0,0,0,1,0,1|2,0,0]=4 6198 B12R1.130 CC(=O)NCCN1CCCC1=O 11a_100011200922_100015343762 [0,0,0,1,0,1|2,0,0]=4 6199 B12R1.130 CC(=O)NCCN1CCCC1=O 1626a_100011200922_100015343762 [0,0,0,1,0,1|2,0,0]=4 6200 B12R1.130 CC(=O)NCCN1CCCC1=O 240690a_100011200922_100015343762 [0,0,0,1,0,1|2,0,0]=4 6201 B12R1.130 CC(=O)NCCN1CCCC1=O 527a_100011200922_100103153847 [0,0,0,1,0,1|2,0,0]=4 6202 B12R1.130 CC(=O)OCOC1CCCC1=O 34a_200000719330_100009813279 [0,0,0,1,0,1|2,0,0]=4 6203 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000076356_100000211823 [0,0,0,1,0,1|2,0,0]=4 6204 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000211823_100000076356 [0,0,0,1,0,1|2,0,0]=4 6205 B12R1.130 CC(O)CCNC1CCCC1=O 2230a_200000755665_100000211823 [0,0,0,1,0,1|1,0,1]=4 6206 B12R1.130 CC(O)CCOC1CCCC1=O 34a_200000719330_100012276601 [0,0,0,1,0,1|1,0,1]=4 6207 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100000211823_100012276601 [0,0,0,1,0,1|1,0,1]=4 6208 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100012276601_100000211823 [0,0,0,1,0,1|1,0,1]=4 6209 B12R1.130 NC(=O)CCNC1CCNC1=O 2230a_100016995588_100000744528 [0,0,0,1,0,1|2,0,0]=4 6210 B12R1.130 NC(=O)CCNC1CCNC1=O 34a_100016995588_100000731001 [0,0,0,1,0,1|2,0,0]=4 6211 B12R1.130 NC(=O)CCOC1CCCC1=O 34a_100000757172_100000709159 [0,0,0,1,0,1|1,0,0]=3 6212 B12R1.130 NC(=O)CCOC1CCCC1=O 34a_200000719330_100000731001 [0,0,0,1,0,1|1,0,0]=3 6213 B12R1.130 NC(=O)CCOC1CCCC1=O 7a_100000757172_100000211823 [0,0,0,1,0,1|1,0,0]=3 6214 B12R1.130 NC(=O)CCOC1CCOC1=O 34a_100000757172_100000211211 [0,0,0,1,0,1|2,0,0]=4 6215 B12R1.130 NC(=O)CCOC1CCOC1=O 7a_100000757172_100000211211 [0,0,0,1,0,1|2,0,0]=4 6216 B12R1.130 NC(=O)CCO[C@H]1CCNC1=O 34a_100000688343_100000731001 [0,0,0,1,0,1|2,0,0]=4 6217 B12R1.130 NC(=O)CCSC1CCCC1=O 62a_100000211823_100000744528 [0,0,0,1,0,1|1,0,0]=3 6218 B12R1.130 NC(=O)CCSC1CCCC1=O 62a_100000744528_100000211823 [0,0,0,1,0,1|1,0,0]=3 6219 B12R1.130 NC(=O)CCSC1CCOC1=O 62a_100000211211_100000744528 [0,0,0,1,0,1|2,0,0]=4 6220 B12R1.130 NC(=O)CCSC1CCOC1=O 62a_100000744528_100000211211 [0,0,0,1,0,1|2,0,0]=4 6221 B12R1.130 NC(=O)COCC1CCNC1=O 34a_100000133458_100000187820 [0,0,0,1,0,1|2,0,0]=4 6222 B12R1.130 NC(=O)CSCN1CCCC1=O 62a_100000026320_100000747473 [0,0,0,1,0,1|2,0,0]=4 6223 B12R1.130 NC(=O)CSCN1CCCC1=O 62a_100000747473_100000026320 [0,0,0,1,0,1|2,0,0]=4 6224 B12R1.130 O=C(O)CNCN1CCCC1=O 269956a_100016091260_100000026320 [0,0,0,1,0,1|1,0,0]=3 6225 B12R1.130 O=C(O)CONC1CCCC1=O 269956a_100000106656_100000211823 [0,0,0,1,0,1|1,0,0]=3 6226 B12R1.130 O=C([O-])COCC1CCNC1=O 34a_100000133458_100020667443 [0,0,0,1,0,1|1,0,1]=4 6227 B12R1.130 O=C([O-])CSCN1CCCC1=O 62a_100000026320_100020667443 [0,0,0,1,0,1|1,0,1]=4 6228 B12R1.130 O=C([O-])CSCN1CCCC1=O 62a_100020667443_100000026320 [0,0,0,1,0,1|1,0,1]=4 6229 B12R1.182 CCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210207 [0,0,0,1,0,1|2,0,0]=4 6230 B12R1.226 C=C(C)COC1CCCC(=O)C1 34a_100012613340_100000748629 [0,0,0,1,0,1|2,0,0]=4 6231 B12R1.226 C=C(F)COC1CCCC(=O)C1 34a_100012613340_100009893438 [0,0,0,1,0,1|2,0,0]=4 6232 B12R1.226 CC(O)COC1CCCC(=O)C1 34a_100012613340_100011218427 [0,0,0,1,0,1|1,0,1]=4 6233 B12R1.226 C[C@@H](O)COC1CCCC(=O)C1 34a_100012613340_100009817552 [0,0,0,1,0,1|1,0,1]=4 6234 B12R1.226 NC(=O)CCN1CCNC(=O)C1 2230a_100000184651_100000744528 [0,0,0,1,0,1|2,0,0]=4 6235 B12R1.226 NC(=O)CCN1CCOC(=O)C1 2230a_100000131268_100000744528 [0,0,0,1,0,1|2,0,0]=4 6236 B12R1.226 NC(=O)CNC1CCNC(=O)C1 2230a_100016994916_100000747473 [0,0,0,1,0,1|2,0,0]=4 6237 B12R1.226 NC(=O)CNC1CCNC(=O)C1 34a_100016994916_100000187820 [0,0,0,1,0,1|2,0,0]=4 6238 B12R1.226 NC(=O)COC1CCCC(=O)C1 34a_100012613340_100000187820 [0,0,0,1,0,1|1,0,0]=3 6239 B12R1.226 NC(=O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000187820 [0,0,0,1,0,1|2,0,0]=4 6240 B12R1.226 O=C([O-])CNC1CCNC(=O)C1 34a_100016994916_100020667443 [0,0,0,1,0,1|1,0,1]=4 6241 B12R1.226 O=C([O-])COC1CCCC(=O)C1 34a_100012613340_100020667443 [0,0,0,1,0,1|0,0,1]=3 6242 B12R1.226 O=C([O-])CO[C@@H]1CCNC(=O)C1 34a_100015189427_100020667443 [0,0,0,1,0,1|1,0,1]=4 6243 B12R1.226 O=C1CCCC(C1)OC[N+](=O)[O-] 34a_100012613340_100000761209 [0,0,0,1,0,1|1,0,1]=4 6244 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,0,0,1,0,1|1,0,1]=4 6245 B12R1.255 O=C(O)CNCCN1CCCC1 269956a_100016091260_100000004467 [0,0,0,1,0,1|2,0,0]=4 6246 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000732470_100000747444 [0,0,0,1,0,1|1,0,1]=4 6247 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000747444_100000732470 [0,0,0,1,0,1|1,0,1]=4 6248 B12R1.467 C=C1CC(C1)CNC(=O)CCC 11a_100102567296_100000211992 [0,0,0,1,0,1|2,0,0]=4 6249 B12R1.467 C=C1CC(C1)CNC(=O)CCC 1626a_100102567296_100000211992 [0,0,0,1,0,1|2,0,0]=4 6250 B12R1.467 C=C1CC(C1)CNC(=O)CCC 240690a_100102567296_100000211992 [0,0,0,1,0,1|2,0,0]=4 6251 B12R1.467 C=C1CC(C1)CNC(=O)CCC 527a_100102567296_100000211992 [0,0,0,1,0,1|2,0,0]=4 6252 B12R1.467 C=C1CC(C1)NCC(=O)CCC 2230a_100132301982_100000747444 [0,0,0,1,0,1|2,0,0]=4 6253 B12R1.467 CCCC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000747444 [0,0,0,1,0,1|1,0,1]=4 6254 B12R1.467 CCCC(=O)CSC1CC(=O)C1 62a_100009894365_100000747444 [0,0,0,1,0,1|1,0,0]=3 6255 B12R1.467 CCCC(=O)NCC1CC(C1)O 11a_100016992100_100000211992 [0,0,0,1,0,1|1,0,1]=4 6256 B12R1.467 CCCC(=O)NCC1CC(C1)O 240690a_100016992100_100000211992 [0,0,0,1,0,1|1,0,1]=4 6257 B12R1.467 CCNC(=O)CSC1CC(=O)C1 62a_100009894365_100000183381 [0,0,0,1,0,1|2,0,0]=4 6258 B12R1.467 CCOC(=O)CSC1CC(=O)C1 62a_100009894365_100000188475 [0,0,0,1,0,1|2,0,0]=4 6259 B12R1.1020 NC(=O)CN1CCNC(=O)CC1 2230a_100000698595_100000747473 [0,0,0,1,0,1|2,0,0]=4 6260 B12R1.1020 NC(=O)CN1CCNC(=O)CC1 269982a_100000698595_100000187820 [0,0,0,1,0,1|2,0,0]=4 6261 B12R1.1020 O=C([O-])CN1CCNC(=O)CC1 269982a_100000698595_100020667443 [0,0,0,1,0,1|1,0,1]=4 6262 B12R1.1356 C=C(Br)CCOCC(=O)C1CC1 34a_100009813270_100000746382 [0,0,0,1,0,1|2,0,0]=4 6263 B12R1.1356 C=C(C)CCOCC(=O)C1CC1 34a_100000686663_100000730704 [0,0,0,1,0,1|2,0,0]=4 6264 B12R1.1356 C=C(C)CCOCC(=O)C1CC1 34a_100000764851_100000746382 [0,0,0,1,0,1|2,0,0]=4 6265 B12R1.1356 C=C(C)CCSCC(=O)C1CC1 62a_100000730704_100000746382 [0,0,0,1,0,1|2,0,0]=4 6266 B12R1.1356 C=C(C)CCSCC(=O)C1CC1 62a_100000746382_100000730704 [0,0,0,1,0,1|2,0,0]=4 6267 B12R1.1356 CC(=O)CCCCC(=O)C1CC1 1458a_100000210395_100000735457 [0,0,0,1,0,1|1,0,0]=3 6268 B12R1.1356 CC(=O)CCCCC(=O)C1CO1 1458a_100000701028_100000735457 [0,0,0,1,0,1|2,0,0]=4 6269 B12R1.1356 CC(=O)CCCNC(=O)C1CC1 1458a_100000194788_200000210301 [0,0,0,1,0,1|1,0,0]=3 6270 B12R1.1356 CC(=O)CCOCC(=O)C1CC1 34a_100000759926_100000746382 [0,0,0,1,0,1|1,0,0]=3 6271 B12R1.1356 CC(=O)CCOCC(=O)C1CC1 7a_100000759926_100000746382 [0,0,0,1,0,1|1,0,0]=3 6272 B12R1.1356 CC(=O)CCSCC(=O)C1CC1 62a_100000053229_100000746382 [0,0,0,1,0,1|1,0,0]=3 6273 B12R1.1356 CC(=O)CCSCC(=O)C1CC1 62a_100000746382_100000053229 [0,0,0,1,0,1|1,0,0]=3 6274 B12R1.1356 CC(=O)COCOC(=O)C1CC1 34a_100000211253_100000140896 [0,0,0,1,0,1|2,0,0]=4 6275 B12R1.1356 CC(=O)NCCNC(=O)C1CC1 240690a_100000209853_100000210395 [0,0,0,1,0,1|2,0,0]=4 6276 B12R1.1356 CC(=O)NCCNC(=O)C1CC1 527a_100000209853_100000210395 [0,0,0,1,0,1|2,0,0]=4 6277 B12R1.1356 CC(=O)OCCCC(=O)C1CC1 1458a_100000210395_100000042594 [0,0,0,1,0,1|1,0,0]=3 6278 B12R1.1356 CC(=O)OCCCC(=O)C1CO1 1458a_100000701028_100000042594 [0,0,0,1,0,1|2,0,0]=4 6279 B12R1.1356 CC(=O)OCCNC(=O)C1CC1 11a_100000724843_100000210395 [0,0,0,1,0,1|2,0,0]=4 6280 B12R1.1356 CC(=O)OCCNC(=O)C1CC1 240690a_100000724843_100000210395 [0,0,0,1,0,1|2,0,0]=4 6281 B12R1.1356 CC(=O)OCCNC(=O)C1CC1 527a_100000724843_100000210395 [0,0,0,1,0,1|2,0,0]=4 6282 B12R1.1356 CC(=O)OCOCC(=O)C1CC1 34a_100000686663_100009813279 [0,0,0,1,0,1|2,0,0]=4 6283 B12R1.1356 CC(=O)OCSCC(=O)C1CC1 62a_100000076356_100000746382 [0,0,0,1,0,1|2,0,0]=4 6284 B12R1.1356 CC(=O)OCSCC(=O)C1CC1 62a_100000746382_100000076356 [0,0,0,1,0,1|2,0,0]=4 6285 B12R1.1356 CC(=O)SCCCC(=O)C1CC1 1458a_100000210395_100000038929 [0,0,0,1,0,1|1,0,0]=3 6286 B12R1.1356 CC(=O)SCCCC(=O)C1CO1 1458a_100000701028_100000038929 [0,0,0,1,0,1|2,0,0]=4 6287 B12R1.1356 CC(=O)SCCNC(=O)C1CC1 11a_100020647217_100000210395 [0,0,0,1,0,1|2,0,0]=4 6288 B12R1.1356 CC(=O)SCCNC(=O)C1CC1 240690a_100020647217_100000210395 [0,0,0,1,0,1|2,0,0]=4 6289 B12R1.1356 CC(=O)SCCNC(=O)C1CC1 527a_100020647217_100000210395 [0,0,0,1,0,1|2,0,0]=4 6290 B12R1.1356 CC(=S)OCCCC(=O)C1CC1 1458a_100000210395_200135323944 [0,0,0,1,0,1|1,1,0]=4 6291 B12R1.1356 CC(O)CCNCC(=O)C1CC1 2230a_200000755665_100000746382 [0,0,0,1,0,1|1,0,1]=4 6292 B12R1.1356 CC(O)CCOCC(=O)C1CC1 34a_100000686663_100012276601 [0,0,0,1,0,1|1,0,1]=4 6293 B12R1.1356 CC(O)CCSCC(=O)C1CC1 62a_100000746382_100012276601 [0,0,0,1,0,1|1,0,1]=4 6294 B12R1.1356 CC(O)CCSCC(=O)C1CC1 62a_100012276601_100000746382 [0,0,0,1,0,1|1,0,1]=4 6295 B12R1.1356 CS(=O)CCCNC(=O)C1CC1 11a_200000753449_100000210395 [0,0,0,1,0,1|2,0,0]=4 6296 B12R1.1356 CS(=O)CCCNC(=O)C1CC1 240690a_200000753449_100000210395 [0,0,0,1,0,1|2,0,0]=4 6297 B12R1.1356 CS(=O)CCCNC(=O)C1CC1 527a_200000753449_100000210395 [0,0,0,1,0,1|2,0,0]=4 6298 B12R1.1356 NC(=O)CCCNC(=O)C1CC1 240690a_100000739312_100000210395 [0,0,0,1,0,1|1,0,0]=3 6299 B12R1.1356 NC(=O)CCCNC(=O)C1CC1 527a_100000739312_100000210395 [0,0,0,1,0,1|1,0,0]=3 6300 B12R1.1356 NC(=O)CCCNC(=O)C1CO1 240690a_100000739312_100000701028 [0,0,0,1,0,1|2,0,0]=4 6301 B12R1.1356 NC(=O)CCCNC(=O)C1CO1 527a_100000739312_100000701028 [0,0,0,1,0,1|2,0,0]=4 6302 B12R1.1356 NC(=O)CCOCC(=O)C1CC1 34a_100000686663_100000731001 [0,0,0,1,0,1|1,0,0]=3 6303 B12R1.1356 NC(=O)CCOCC(=O)C1CC1 34a_100000757172_100000746382 [0,0,0,1,0,1|1,0,0]=3 6304 B12R1.1356 NC(=O)CCOCC(=O)C1CC1 7a_100000757172_100000746382 [0,0,0,1,0,1|1,0,0]=3 6305 B12R1.1356 NC(=O)CCSCC(=O)C1CC1 62a_100000744528_100000746382 [0,0,0,1,0,1|1,0,0]=3 6306 B12R1.1356 NC(=O)CCSCC(=O)C1CC1 62a_100000746382_100000744528 [0,0,0,1,0,1|1,0,0]=3 6307 B12R1.1356 NC(=O)CNCOC(=O)C1CC1 2230a_100000711301_100000140896 [0,0,0,1,0,1|2,0,0]=4 6308 B12R1.1356 NC(=O)COCCC(=O)C1CC1 1458a_100000210395_100000076697 [0,0,0,1,0,1|1,0,0]=3 6309 B12R1.1356 NC(=O)COCCC(=O)C1CO1 1458a_100000701028_100000076697 [0,0,0,1,0,1|2,0,0]=4 6310 B12R1.1356 NC(=O)CSCOC(=O)C1CC1 62a_100000140896_100000747473 [0,0,0,1,0,1|2,0,0]=4 6311 B12R1.1356 NC(=O)CSCOC(=O)C1CC1 62a_100000747473_100000140896 [0,0,0,1,0,1|2,0,0]=4 6312 B12R1.1356 NC(=O)NCCNC(=O)C1CC1 240690a_100020590234_100000210395 [0,0,0,1,0,1|2,0,0]=4 6313 B12R1.1356 NC(=O)NCCNC(=O)C1CC1 527a_100020590234_100000210395 [0,0,0,1,0,1|2,0,0]=4 6314 B12R1.1356 O=C(CCCCB(O)O)C1CC1 1458a_100000210395_200009817182 [0,0,0,1,0,1|1,0,1]=4 6315 B12R1.1356 O=C(O)CNCOC(=O)C1CC1 269956a_100016091260_100000140896 [0,0,0,1,0,1|1,0,0]=3 6316 B12R1.1356 O=C(O)CONCC(=O)C1CC1 269956a_100000106656_100000746382 [0,0,0,1,0,1|1,0,0]=3 6317 B12R1.1356 O=C([O-])CSCOC(=O)C1CC1 62a_100000140896_100020667443 [0,0,0,1,0,1|1,0,1]=4 6318 B12R1.1356 O=C([O-])CSCOC(=O)C1CC1 62a_100020667443_100000140896 [0,0,0,1,0,1|1,0,1]=4 6319 B12R1.1356 [13CH3]C(=O)CCCNC(=O)C1CC1 1458a_100000194788_200025704644 [0,0,0,1,0,1|1,0,0]=3 6320 B12R1.1584 CC(=O)N1CC[C@H]1C(=O)CCF 1458a_200015362969_100011217306 [0,0,0,1,0,1|2,0,0]=4 6321 B12R1.1584 CC(=O)N1CC[C@H]1C(=O)CCO 1458a_200015362969_100000211926 [0,0,0,1,0,1|2,0,0]=4 6322 B12R1.1584 CCCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210303 [0,0,0,1,0,1|1,0,0]=3 6323 B12R1.1584 CCCC(C)N1CCC1C(=O)O 269956a_100000021838_100000766640 [0,0,0,1,0,1|1,0,1]=4 6324 B12R1.1584 CCNC(=O)[C@@H]1CCN1C(=O)C 11a_100015525214_200015362969 [0,0,0,1,0,1|2,0,0]=4 6325 B12R1.1584 CCNC(=O)[C@@H]1CCN1C(=O)C 240690a_100015525214_200015362969 [0,0,0,1,0,1|2,0,0]=4 6326 B12R1.1584 CCNC(=O)[C@@H]1CCN1C(=O)C 527a_100015525214_200015362969 [0,0,0,1,0,1|2,0,0]=4 6327 B12R1.144 CN(CC(=O)N)C1CCCC1=O 2230a_100000739694_100000211823 [0,1,0,1,0,0|2,0,0]=4 6328 B12R1.144 CN(CC(=O)O)C1CCCC1=O 269956a_100000746989_100000211823 [0,1,0,1,0,0|1,0,0]=3 6329 B12R1.144 NC(=O)CC(=O)C1CCCC1=O 1458a_100134613110_100000211823 [0,1,0,1,0,0|1,0,1]=4 6330 B12R1.874 NC(=O)CN1CCCNC(=O)C1 2230a_100015190381_100000747473 [0,1,0,1,0,0|2,0,0]=4 6331 B12R1.1061 CC(C)CC(=O)CC1CC(=O)C1 1458a_100000210554_100009874392 [0,1,0,1,0,0|1,0,0]=3 6332 B12R1.1061 CN(C)CC(=O)CC1CC(=O)C1 1458a_100000750896_100009874392 [0,1,0,1,0,0|2,0,0]=4 6333 B12R1.1061 C[C@@H](O)CC(=O)CC1CC(=O)C1 1458a_100011933948_100009874392 [0,1,0,1,0,0|1,0,0]=3 6334 B12R1.1061 C[S+](C)CC(=O)CC1CC(=O)C1 1458a_200159257847_100009874392 [0,1,0,1,0,0|2,0,0]=4 6335 B12R1.1811 CN(CC(=O)N)CC(=O)C1CC1 2230a_100000739694_100000746382 [0,1,0,1,0,0|2,0,0]=4 6336 B12R1.1811 CN(CC(=O)O)CC(=O)C1CC1 269956a_100000746989_100000746382 [0,1,0,1,0,0|1,0,0]=3 6337 B12R1.1811 NC(=O)CC(=O)CC(=O)C1CC1 1458a_100134613110_100000746382 [0,1,0,1,0,0|1,0,1]=4 6338 B12R1.103 C=C(C)CC(=O)C1CCC(=O)N1 1458a_100000210400_100000748629 [0,1,0,1,0,0|1,0,1]=4 6339 B12R1.103 C=C(C)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000748629 [0,1,0,1,0,0|0,0,1]=3 6340 B12R1.103 C=C(F)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100009893438 [0,1,0,1,0,0|0,0,2]=4 6341 B12R1.103 CC(C)CC(=O)C1CCC(=O)N1 1458a_100000210400_100000210624 [0,1,0,1,0,0|1,0,0]=3 6342 B12R1.103 CC(C)CC(=O)C1CCC(C1)O 1458a_100000688591_100000210624 [0,1,0,1,0,0|1,0,1]=4 6343 B12R1.103 CC(C)CC(=O)C1CNC(=O)C1 1458a_100000747279_100000210624 [0,1,0,1,0,0|2,0,0]=4 6344 B12R1.103 CC(C)CC(=O)C1CNC(=O)N1 1458a_100000033324_100000210624 [0,1,0,1,0,0|2,0,0]=4 6345 B12R1.103 CC(C)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210624 [0,1,0,1,0,0|0,0,0]=2 6346 B12R1.103 CC(C)CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210624 [0,1,0,1,0,0|2,0,0]=4 6347 B12R1.103 CC(C)NC(=O)C1CCC(=O)N1 240690a_100138425928_100000210400 [0,1,0,1,0,0|2,0,0]=4 6348 B12R1.103 CC(C)NC(=O)[C@@H]1CCC(=O)O1 11a_100138425928_100009814974 [0,1,0,1,0,0|1,0,0]=3 6349 B12R1.103 CC(C)NC(=O)[C@@H]1CCC(=O)O1 1626a_100138425928_100009814974 [0,1,0,1,0,0|1,0,0]=3 6350 B12R1.103 CC(C)NC(=O)[C@@H]1CCC(=O)O1 240690a_100138425928_100009814974 [0,1,0,1,0,0|1,0,0]=3 6351 B12R1.103 CC(C)NC(=O)[C@@H]1CCC(=O)O1 527a_100138425928_100009814974 [0,1,0,1,0,0|1,0,0]=3 6352 B12R1.103 CC(O)CC(=O)C1CCC(=O)N1 1458a_100000210400_100011218427 [0,1,0,1,0,0|1,0,0]=3 6353 B12R1.103 CC(O)CC(=O)C1CCC(C1)O 1458a_100000688591_100011218427 [0,1,0,1,0,0|1,0,1]=4 6354 B12R1.103 CC(O)CC(=O)C1CNC(=O)C1 1458a_100000747279_100011218427 [0,1,0,1,0,0|2,0,0]=4 6355 B12R1.103 CC(O)CC(=O)C1CNC(=O)N1 1458a_100000033324_100011218427 [0,1,0,1,0,0|2,0,0]=4 6356 B12R1.103 CC(O)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011218427 [0,1,0,1,0,0|0,0,0]=2 6357 B12R1.103 CC(O)CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100011218427 [0,1,0,1,0,0|2,0,0]=4 6358 B12R1.103 NC(=O)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000187820 [0,1,0,1,0,0|1,0,1]=4 6359 B12R1.103 O=C([O-])CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100020667443 [0,1,0,1,0,0|1,0,1]=4 6360 B12R1.103 O=C1CCC(N1)C(=O)CC(F)F 1458a_100000210400_100011934356 [0,1,0,1,0,0|2,0,0]=4 6361 B12R1.103 O=C1CC[C@H](O1)C(=O)CC(F)F 1458a_100009814974_100011934356 [0,1,0,1,0,0|1,0,0]=3 6362 B12R1.103 O=C1CC[C@H](O1)C(=O)C[N+](=O)[O-] 1458a_100009814974_100000761209 [0,1,0,1,0,0|2,0,0]=4 6363 B12R1.1238 CC(=O)CCCC(=O)C1CC1C 1458a_100000211227_100011215641 [0,1,0,1,0,0|1,0,0]=3 6364 B12R1.1238 CC(=O)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215641 [0,1,0,1,0,0|1,0,0]=3 6365 B12R1.1238 CC(=O)CCNC(=O)C1CC1C 1458a_100000195327_200000210301 [0,1,0,1,0,0|2,0,0]=4 6366 B12R1.1238 CC(=O)NCCC(=O)C1CC1C 1458a_100000211227_100000189650 [0,1,0,1,0,0|2,0,0]=4 6367 B12R1.1238 CC(=O)NCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000189650 [0,1,0,1,0,0|2,0,0]=4 6368 B12R1.1238 CC(=O)OCCC(=O)C1CC1C 1458a_100000211227_100009814007 [0,1,0,1,0,0|2,0,0]=4 6369 B12R1.1238 CC(=O)OCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100009814007 [0,1,0,1,0,0|2,0,0]=4 6370 B12R1.1238 CC(O)CCCC(=O)C1CC1C 1458a_100000211227_200000718107 [0,1,0,1,0,0|1,0,1]=4 6371 B12R1.1238 CC(O)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000718107 [0,1,0,1,0,0|1,0,1]=4 6372 B12R1.1238 CC1CC1C(=O)CCCC(=O)N 1458a_100000211227_100102525003 [0,1,0,1,0,0|1,0,0]=3 6373 B12R1.1238 CC1CC1C(=O)CCNC(=O)N 1458a_100000211227_200000034859 [0,1,0,1,0,0|2,0,0]=4 6374 B12R1.1238 CC1CC1C(=O)CCOC(=O)N 1458a_100000211227_200011214921 [0,1,0,1,0,0|2,0,0]=4 6375 B12R1.1238 CC1CC1C(=O)NCCC(=O)N 11a_100000740010_100000211227 [0,1,0,1,0,0|2,0,0]=4 6376 B12R1.1238 CC1CC1C(=O)NCCC(=O)N 527a_100000740010_100000211227 [0,1,0,1,0,0|2,0,0]=4 6377 B12R1.1238 CC1CC1C(=O)NCCC(=O)[13CH3] 1458a_100000195327_200025704644 [0,1,0,1,0,0|2,0,0]=4 6378 B12R1.1238 NC(=O)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100102525003 [0,1,0,1,0,0|1,0,0]=3 6379 B12R1.1238 NC(=O)CCNC(=O)[C@@H]1C[C@@H]1F 11a_100000740010_100015396687 [0,1,0,1,0,0|2,0,0]=4 6380 B12R1.1238 NC(=O)CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000740010_100015396687 [0,1,0,1,0,0|2,0,0]=4 6381 B12R1.1238 NC(=O)CCNC(=O)[C@@H]1C[C@@H]1F 527a_100000740010_100015396687 [0,1,0,1,0,0|2,0,0]=4 6382 B12R1.1238 NC(=O)NCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000034859 [0,1,0,1,0,0|2,0,0]=4 6383 B12R1.1238 NC(=O)OCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200011214921 [0,1,0,1,0,0|2,0,0]=4 6384 B12R1.1359 CC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100011215641 [0,1,0,1,0,0|1,0,0]=3 6385 B12R1.1359 CC(=O)COCC(=O)NC1CC1 34a_100000211253_100000182950 [0,1,0,1,0,0|2,0,0]=4 6386 B12R1.1359 CC(=O)NCCC(=O)CC1CC1 1458a_100000183196_100000742324 [0,1,0,1,0,0|2,0,0]=4 6387 B12R1.1359 CC(=O)NCCC(=O)CC1CC1 1458a_100000738066_100000189650 [0,1,0,1,0,0|2,0,0]=4 6388 B12R1.1359 CC(=O)NCCC(=O)CC1CO1 1458a_100000183196_100011216344 [0,1,0,1,0,0|2,0,0]=4 6389 B12R1.1359 CC(=O)NCCC(=O)CC1CS1 1458a_100000183196_100000031435 [0,1,0,1,0,0|2,0,0]=4 6390 B12R1.1359 CC(=O)NCCC(=O)C[C@@H]1CO1 1458a_100000183196_100000745022 [0,1,0,1,0,0|2,0,0]=4 6391 B12R1.1359 CC(=O)NCCC(=O)NC1CC1 1626a_100000212008_100000183196 [0,1,0,1,0,0|2,0,0]=4 6392 B12R1.1359 CC(=O)NCCC(=O)NC1CC1 240690a_100000212008_100000183196 [0,1,0,1,0,0|2,0,0]=4 6393 B12R1.1359 CC(=O)NCCC(=O)NC1CC1 527a_100000212008_100000183196 [0,1,0,1,0,0|2,0,0]=4 6394 B12R1.1359 CC(=O)OCCC(=O)CC1CC1 1458a_100000738066_100009814007 [0,1,0,1,0,0|2,0,0]=4 6395 B12R1.1359 CC(=O)SCCC(=O)CC1CC1 1458a_100000048949_100000742324 [0,1,0,1,0,0|2,0,0]=4 6396 B12R1.1359 CC(=O)SCCC(=O)CC1CO1 1458a_100000048949_100011216344 [0,1,0,1,0,0|2,0,0]=4 6397 B12R1.1359 CC(=O)SCCC(=O)CC1CS1 1458a_100000048949_100000031435 [0,1,0,1,0,0|2,0,0]=4 6398 B12R1.1359 CC(=O)SCCC(=O)C[C@@H]1CO1 1458a_100000048949_100000745022 [0,1,0,1,0,0|2,0,0]=4 6399 B12R1.1359 CC(=O)SCCC(=O)NC1CC1 1626a_100000212008_100000048949 [0,1,0,1,0,0|2,0,0]=4 6400 B12R1.1359 CC(=O)SCCC(=O)NC1CC1 240690a_100000212008_100000048949 [0,1,0,1,0,0|2,0,0]=4 6401 B12R1.1359 CC(O)CCCC(=O)CC1CC1 1458a_100000738066_200000718107 [0,1,0,1,0,0|1,0,1]=4 6402 B12R1.1359 CC(O)CCCC(=O)NC1CC1 1626a_100000212008_100000761597 [0,1,0,1,0,0|1,0,1]=4 6403 B12R1.1359 CC(O)CCCC(=O)NC1CC1 527a_100000212008_100000761597 [0,1,0,1,0,0|1,0,1]=4 6404 B12R1.1359 CN(CCCC(=O)O)CC1CC1 269956a_100000719178_100000742324 [0,1,0,1,0,0|2,0,0]=4 6405 B12R1.1359 CN(CCCC(=O)O)CC1CO1 269956a_100000719178_102125554688 [0,1,0,1,0,0|2,0,0]=4 6406 B12R1.1359 CN(CCCC(=O)O)CC1CS1 269956a_100000719178_100000031435 [0,1,0,1,0,0|2,0,0]=4 6407 B12R1.1359 CN(CCCC(=O)O)C[C@@H]1CO1 269956a_100000719178_100000745022 [0,1,0,1,0,0|2,0,0]=4 6408 B12R1.1359 NC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100102525003 [0,1,0,1,0,0|1,0,0]=3 6409 B12R1.1359 NC(=O)CCNC(=O)CC1CC1 11a_100000740010_100000738066 [0,1,0,1,0,0|2,0,0]=4 6410 B12R1.1359 NC(=O)CCNC(=O)CC1CC1 240690a_100000740010_100000738066 [0,1,0,1,0,0|2,0,0]=4 6411 B12R1.1359 NC(=O)CCNC(=O)CC1CC1 527a_100000740010_100000738066 [0,1,0,1,0,0|2,0,0]=4 6412 B12R1.1359 NC(=O)CCNC(=O)NC1CC1 2708a_100000212008_100000740010 [0,1,0,1,0,0|2,0,0]=4 6413 B12R1.1359 NC(=O)CCNC(=O)NC1CC1 273464a_100000212008_100000740010 [0,1,0,1,0,0|2,0,0]=4 6414 B12R1.1359 NC(=O)CCNC(=O)NC1CC1 273464a_100000740010_100000212008 [0,1,0,1,0,0|2,0,0]=4 6415 B12R1.1359 NC(=O)CCNC(=O)NC1CC1 512a_100000212008_100000740010 [0,1,0,1,0,0|2,0,0]=4 6416 B12R1.1359 NC(=O)CNCC(=O)NC1CC1 2230a_100000702991_100000747473 [0,1,0,1,0,0|2,0,0]=4 6417 B12R1.1359 NC(=O)CNCC(=O)NC1CC1 2230a_100000711301_100000182950 [0,1,0,1,0,0|2,0,0]=4 6418 B12R1.1359 NC(=O)COCC(=O)CC1CC1 1458a_100011219004_100000742324 [0,1,0,1,0,0|2,0,0]=4 6419 B12R1.1359 NC(=O)COCC(=O)CC1CO1 1458a_100011219004_100011216344 [0,1,0,1,0,0|2,0,0]=4 6420 B12R1.1359 NC(=O)COCC(=O)CC1CS1 1458a_100011219004_100000031435 [0,1,0,1,0,0|2,0,0]=4 6421 B12R1.1359 NC(=O)COCC(=O)C[C@@H]1CO1 1458a_100011219004_100000745022 [0,1,0,1,0,0|2,0,0]=4 6422 B12R1.1359 NC(=O)COCC(=O)NC1CC1 1626a_100000212008_100011219004 [0,1,0,1,0,0|2,0,0]=4 6423 B12R1.1359 NC(=O)COCC(=O)NC1CC1 240690a_100000212008_100011219004 [0,1,0,1,0,0|2,0,0]=4 6424 B12R1.1359 NC(=O)COCC(=O)NC1CC1 527a_100000212008_100011219004 [0,1,0,1,0,0|2,0,0]=4 6425 B12R1.1359 NC(=O)CSCC(=O)NC1CC1 240690a_100000212008_100000150265 [0,1,0,1,0,0|2,0,0]=4 6426 B12R1.1359 NC(=O)CSCC(=O)NC1CC1 527a_100000212008_100000150265 [0,1,0,1,0,0|2,0,0]=4 6427 B12R1.1359 NC(=O)CSCC(=O)NC1CC1 62a_100000182950_100000747473 [0,1,0,1,0,0|2,0,0]=4 6428 B12R1.1359 NC(=O)CSCC(=O)NC1CC1 62a_100000747473_100000182950 [0,1,0,1,0,0|2,0,0]=4 6429 B12R1.1359 NC(=O)NCCC(=O)CC1CC1 1458a_100000181464_100000742324 [0,1,0,1,0,0|2,0,0]=4 6430 B12R1.1359 NC(=O)NCCC(=O)CC1CC1 1458a_100000738066_200000034859 [0,1,0,1,0,0|2,0,0]=4 6431 B12R1.1359 NC(=O)NCCC(=O)CC1CO1 1458a_100000181464_100011216344 [0,1,0,1,0,0|2,0,0]=4 6432 B12R1.1359 NC(=O)NCCC(=O)CC1CS1 1458a_100000181464_100000031435 [0,1,0,1,0,0|2,0,0]=4 6433 B12R1.1359 NC(=O)NCCC(=O)C[C@@H]1CO1 1458a_100000181464_100000745022 [0,1,0,1,0,0|2,0,0]=4 6434 B12R1.1359 NC(=O)NCCC(=O)NC1CC1 240690a_100000212008_100000181464 [0,1,0,1,0,0|2,0,0]=4 6435 B12R1.1359 NC(=O)NCCC(=O)NC1CC1 527a_100000212008_100000181464 [0,1,0,1,0,0|2,0,0]=4 6436 B12R1.1359 NC(=O)OCCC(=O)CC1CC1 1458a_100000738066_200011214921 [0,1,0,1,0,0|2,0,0]=4 6437 B12R1.1359 O=C(CCC[N+](=O)[O-])CC1CC1 1458a_100016109205_100000742324 [0,1,0,1,0,0|1,0,1]=4 6438 B12R1.1359 O=C(CCC[N+](=O)[O-])CC1CO1 1458a_100016109205_100011216344 [0,1,0,1,0,0|1,0,1]=4 6439 B12R1.1359 O=C(CCC[N+](=O)[O-])CC1CS1 1458a_100016109205_100000031435 [0,1,0,1,0,0|1,0,1]=4 6440 B12R1.1359 O=C(CCC[N+](=O)[O-])C[C@@H]1CO1 1458a_100016109205_100000745022 [0,1,0,1,0,0|1,0,1]=4 6441 B12R1.1359 O=C(CCC[N+](=O)[O-])NC1CC1 1626a_100000212008_100016109205 [0,1,0,1,0,0|1,0,1]=4 6442 B12R1.1359 O=C(CCC[N+](=O)[O-])NC1CC1 240690a_100000212008_100016109205 [0,1,0,1,0,0|1,0,1]=4 6443 B12R1.1359 O=C(CCC[N+](=O)[O-])NC1CC1 527a_100000212008_100016109205 [0,1,0,1,0,0|1,0,1]=4 6444 B12R1.1359 O=C(O)CNCC(=O)NC1CC1 269956a_100016091260_100000182950 [0,1,0,1,0,0|1,0,0]=3 6445 B12R1.1359 O=C([O-])CSCC(=O)NC1CC1 62a_100000182950_100020667443 [0,1,0,1,0,0|1,0,1]=4 6446 B12R1.1359 O=C([O-])CSCC(=O)NC1CC1 62a_100020667443_100000182950 [0,1,0,1,0,0|1,0,1]=4 6447 B12R1.1377 CC(C)CC(=O)CCCC1CO1 1458a_100000210554_100000733510 [0,1,0,1,0,0|1,0,1]=4 6448 B12R1.1377 C[C@@H](O)CC(=O)CCCC1CO1 1458a_100011933948_100000733510 [0,1,0,1,0,0|1,0,1]=4 6449 B12R1.1394 CC(C)CN1CC(C1)CC(=O)O 269956a_100016993960_100000210760 [0,1,0,1,0,0|2,0,0]=4 6450 B12R1.1394 CC(O)CN1CC(C1)CC(=O)O 269956a_100016993960_100011218427 [0,1,0,1,0,0|2,0,0]=4 6451 B12R1.1394 C[C@@H](O)CN1CC(C1)CC(=O)O 269956a_100016993960_100009817552 [0,1,0,1,0,0|2,0,0]=4 6452 B12R1.113 CCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210207 [0,1,0,1,0,0|2,0,0]=4 6453 B12R1.438 CCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210202 [0,1,0,1,0,0|2,0,0]=4 6454 B12R1.438 O=C(O)CC1CCCN(C1)CF 269956a_100015207179_100015361967 [0,1,0,1,0,0|2,0,0]=4 6455 B12R1.1891 CCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000210202 [0,1,0,1,0,0|2,0,0]=4 6456 B12R1.1891 O=C(O)C1CCCN(CC1)CF 269956a_100000134118_100015361967 [0,1,0,1,0,0|2,0,0]=4 6457 B12R1.16 C=C1CCC(CC1)C(=O)CCC 1458a_200000138047_100000210303 [0,1,0,1,0,0|2,0,0]=4 6458 B12R1.16 CCCC(=O)C1=NNC(=O)CC1 1458a_100000183032_100000210303 [0,1,0,1,0,0|1,0,1]=4 6459 B12R1.16 CCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210303 [0,1,0,1,0,0|2,0,0]=4 6460 B12R1.16 CCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210303 [0,1,0,1,0,0|1,0,0]=3 6461 B12R1.16 CCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210303 [0,1,0,1,0,0|1,0,1]=4 6462 B12R1.16 CCNC(=O)C1CCC(=O)NC1 11a_100015525214_100000740907 [0,1,0,1,0,0|2,0,0]=4 6463 B12R1.16 CCNC(=O)C1CCC(=O)NC1 240690a_100015525214_100000740907 [0,1,0,1,0,0|2,0,0]=4 6464 B12R1.16 CCNC(=O)C1CCC(=O)NC1 527a_100015525214_100000740907 [0,1,0,1,0,0|2,0,0]=4 6465 B12R1.16 O=C1CCC(CN1)C(=O)CCF 1458a_100000740907_100011217306 [0,1,0,1,0,0|2,0,0]=4 6466 B12R1.16 O=C1CCC(CN1)C(=O)CCO 1458a_100000740907_100000211926 [0,1,0,1,0,0|2,0,0]=4 6467 B12R1.125 CC(=O)CCN1CCCCC1=O 1458a_100011236303_200000210301 [0,1,0,1,0,0|2,0,0]=4 6468 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [0,1,0,1,0,0|2,0,0]=4 6469 B12R1.125 CC(=O)COC1CCCNC1=O 34a_100000211253_100000687798 [0,1,0,1,0,0|2,0,0]=4 6470 B12R1.125 CC(=O)COC1COCCC1=O 34a_100000211253_100012180262 [0,1,0,1,0,0|2,0,0]=4 6471 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,1,0,1,0,0|2,0,0]=4 6472 B12R1.125 NC(=O)CNC1CCCNC1=O 2230a_100000711301_100000687798 [0,1,0,1,0,0|2,0,0]=4 6473 B12R1.125 NC(=O)CNC1CCCNC1=O 2230a_100000747585_100000747473 [0,1,0,1,0,0|2,0,0]=4 6474 B12R1.125 NC(=O)CNC1CCCNC1=O 34a_100000747585_100000187820 [0,1,0,1,0,0|2,0,0]=4 6475 B12R1.125 NC(=O)COC1CCCCC1=O 34a_100011214950_100000187820 [0,1,0,1,0,0|2,0,0]=4 6476 B12R1.125 NC(=O)COC1CCCNC1=O 34a_100000073722_100000187820 [0,1,0,1,0,0|2,0,0]=4 6477 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000204591_100000747473 [0,1,0,1,0,0|2,0,0]=4 6478 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000747473_100000204591 [0,1,0,1,0,0|2,0,0]=4 6479 B12R1.125 NC(=O)CSC1CCCNC1=O 62a_100000687798_100000747473 [0,1,0,1,0,0|2,0,0]=4 6480 B12R1.125 NC(=O)CSC1CCCNC1=O 62a_100000747473_100000687798 [0,1,0,1,0,0|2,0,0]=4 6481 B12R1.125 NC(=O)CSC1COCCC1=O 62a_100000747473_100012180262 [0,1,0,1,0,0|2,0,0]=4 6482 B12R1.125 NC(=O)CSC1COCCC1=O 62a_100012180262_100000747473 [0,1,0,1,0,0|2,0,0]=4 6483 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [0,1,0,1,0,0|1,0,0]=3 6484 B12R1.125 O=C(O)CNC1CCCNC1=O 269956a_100016091260_100000687798 [0,1,0,1,0,0|1,0,0]=3 6485 B12R1.125 O=C(O)CNC1COCCC1=O 269956a_100016091260_100012180262 [0,1,0,1,0,0|1,0,0]=3 6486 B12R1.125 O=C([O-])CNC1CCCNC1=O 34a_100000747585_100020667443 [0,1,0,1,0,0|1,0,1]=4 6487 B12R1.125 O=C([O-])COC1CCCCC1=O 34a_100011214950_100020667443 [0,1,0,1,0,0|1,0,1]=4 6488 B12R1.125 O=C([O-])COC1CCCNC1=O 34a_100000073722_100020667443 [0,1,0,1,0,0|1,0,1]=4 6489 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100000204591_100020667443 [0,1,0,1,0,0|1,0,1]=4 6490 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100020667443_100000204591 [0,1,0,1,0,0|1,0,1]=4 6491 B12R1.125 O=C([O-])CSC1CCCNC1=O 62a_100000687798_100020667443 [0,1,0,1,0,0|1,0,1]=4 6492 B12R1.125 O=C([O-])CSC1CCCNC1=O 62a_100020667443_100000687798 [0,1,0,1,0,0|1,0,1]=4 6493 B12R1.125 O=C([O-])CSC1COCCC1=O 62a_100012180262_100020667443 [0,1,0,1,0,0|1,0,1]=4 6494 B12R1.125 O=C([O-])CSC1COCCC1=O 62a_100020667443_100012180262 [0,1,0,1,0,0|1,0,1]=4 6495 B12R1.125 [13CH3]C(=O)CCN1CCCCC1=O 1458a_100011236303_200025704644 [0,1,0,1,0,0|2,0,0]=4 6496 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,1,0,1,0,0|2,0,0]=4 6497 B12R1.1566 CCCC(=O)C1CN(C1)C(=O)C 1458a_100000754717_100000210303 [0,1,0,1,0,0|2,0,0]=4 6498 B12R1.1566 CCCC(=O)N1CC(C1)C(=O)N 240690a_100025753142_100000211992 [0,1,0,1,0,0|2,0,0]=4 6499 B12R1.1566 CCCC(=O)N1CC(C1)C(=O)N 527a_100025753142_100000211992 [0,1,0,1,0,0|2,0,0]=4 6500 B12R1.1580 CCCC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_100000210303 [0,1,0,1,0,0|1,0,1]=4 6501 B12R1.1812 CN(CCC(=O)N)C(=O)C1CC1 11a_100000730477_100000210395 [0,1,0,1,0,0|2,0,0]=4 6502 B12R1.1812 CN(CCC(=O)N)C(=O)C1CC1 240690a_100000730477_100000210395 [0,1,0,1,0,0|2,0,0]=4 6503 B12R1.1812 CN(CCC(=O)N)C(=O)C1CC1 527a_100000730477_100000210395 [0,1,0,1,0,0|2,0,0]=4 6504 B12R1.56 CCN1CC(CCC1=O)C(=O)C 1458a_100011624518_200000210301 [0,1,0,1,0,0|2,0,0]=4 6505 B12R1.56 CCN1CC(CCC1=O)C(=O)[13CH3] 1458a_100011624518_200025704644 [0,1,0,1,0,0|2,0,0]=4 6506 B12R1.145 CC(=O)C(C)OC1CCCC1=O 34a_100000212229_100000709159 [0,1,0,1,0,0|2,0,0]=4 6507 B12R1.145 CC(=O)C(C)SC1CCCC1=O 62a_100000211823_100009814033 [0,1,0,1,0,0|2,0,0]=4 6508 B12R1.145 CC(=O)C(C)SC1CCCC1=O 62a_100009814033_100000211823 [0,1,0,1,0,0|2,0,0]=4 6509 B12R1.145 CC(OC1CCCC1=O)C(=O)N 34a_200000719330_100000702099 [0,1,0,1,0,0|2,0,0]=4 6510 B12R1.145 CC(SC1CCCC1=O)C(=O)N 62a_100000211823_100000702099 [0,1,0,1,0,0|2,0,0]=4 6511 B12R1.145 CC(SC1CCCC1=O)C(=O)N 62a_100000702099_100000211823 [0,1,0,1,0,0|2,0,0]=4 6512 B12R1.145 C[C@@H](NC1CCCC1=O)C(=O)N 2230a_100000119354_100000211823 [0,1,0,1,0,0|2,0,0]=4 6513 B12R1.145 C[C@@H](NC1CCCC1=O)C(=O)N 34a_100000119354_100000709159 [0,1,0,1,0,0|2,0,0]=4 6514 B12R1.145 C[C@@H](OC1CCCC1=O)C(=O)N 34a_100000731257_100000709159 [0,1,0,1,0,0|2,0,0]=4 6515 B12R1.145 C[C@@H](OC1CCCC1=O)C(=O)N 7a_100000731257_100000211823 [0,1,0,1,0,0|2,0,0]=4 6516 B12R1.145 C[C@H](NC1CCCC1=O)C(=O)O 269956a_100000743915_100000211823 [0,1,0,1,0,0|1,0,0]=3 6517 B12R1.145 C[C@H](OC1CCCC1=O)C(=O)[O-] 7a_217856618621_100000211823 [0,1,0,1,0,0|1,0,1]=4 6518 B12R1.145 NC(=O)C(F)OC1CCCC1=O 34a_200000719330_100009813875 [0,1,0,1,0,0|2,0,0]=4 6519 B12R1.145 NC(=O)C(F)SC1CCCC1=O 62a_100000211823_100009813875 [0,1,0,1,0,0|2,0,0]=4 6520 B12R1.145 NC(=O)C(F)SC1CCCC1=O 62a_100009813875_100000211823 [0,1,0,1,0,0|2,0,0]=4 6521 B12R1.145 O=C([O-])C(F)OC1CCCC1=O 34a_200000719330_100020610796 [0,1,0,1,0,0|1,0,1]=4 6522 B12R1.145 O=C([O-])C(F)SC1CCCC1=O 62a_100000211823_100020610796 [0,1,0,1,0,0|1,0,1]=4 6523 B12R1.145 O=C([O-])C(F)SC1CCCC1=O 62a_100020610796_100000211823 [0,1,0,1,0,0|1,0,1]=4 6524 B12R1.311 CCCC(=O)CCC1CCC1=O 1458a_100000211992_200016118888 [0,1,0,1,0,0|1,0,0]=3 6525 B12R1.311 CCCC(=O)CSC1CCC1=O 62a_100000747444_100009892977 [0,1,0,1,0,0|2,0,0]=4 6526 B12R1.311 CCCC(=O)CSC1CCC1=O 62a_100009892977_100000747444 [0,1,0,1,0,0|2,0,0]=4 6527 B12R1.311 COCC(=O)CCC1CCC1=O 1458a_100000210968_200016118888 [0,1,0,1,0,0|2,0,0]=4 6528 B12R1.311 CSCC(=O)CCC1CCC1=O 1458a_100000184570_200016118888 [0,1,0,1,0,0|2,0,0]=4 6529 B12R1.311 O=C(CCO)CCC1CCC1=O 1458a_100011216618_200016118888 [0,1,0,1,0,0|2,0,0]=4 6530 B12R1.314 CCCC(=O)C1CC(=O)N(C1)C 1458a_100000187535_100000210303 [0,1,0,1,0,0|2,0,0]=4 6531 B12R1.1360 CC(=O)C(C)OCC(=O)C1CC1 34a_100000212229_100000746382 [0,1,0,1,0,0|2,0,0]=4 6532 B12R1.1360 CC(=O)C(C)SCC(=O)C1CC1 62a_100000746382_100009814033 [0,1,0,1,0,0|2,0,0]=4 6533 B12R1.1360 CC(=O)C(C)SCC(=O)C1CC1 62a_100009814033_100000746382 [0,1,0,1,0,0|2,0,0]=4 6534 B12R1.1360 CC(OCC(=O)C1CC1)C(=O)N 34a_100000686663_100000702099 [0,1,0,1,0,0|2,0,0]=4 6535 B12R1.1360 CC(SCC(=O)C1CC1)C(=O)N 62a_100000702099_100000746382 [0,1,0,1,0,0|2,0,0]=4 6536 B12R1.1360 CC(SCC(=O)C1CC1)C(=O)N 62a_100000746382_100000702099 [0,1,0,1,0,0|2,0,0]=4 6537 B12R1.1360 C[C@@H](NCC(=O)C1CC1)C(=O)N 2230a_100000119354_100000746382 [0,1,0,1,0,0|2,0,0]=4 6538 B12R1.1360 C[C@@H](NCC(=O)C1CC1)C(=O)N 34a_100000119354_100000746382 [0,1,0,1,0,0|2,0,0]=4 6539 B12R1.1360 C[C@@H](OCC(=O)C1CC1)C(=O)N 34a_100000731257_100000746382 [0,1,0,1,0,0|2,0,0]=4 6540 B12R1.1360 C[C@@H](OCC(=O)C1CC1)C(=O)N 7a_100000731257_100000746382 [0,1,0,1,0,0|2,0,0]=4 6541 B12R1.1360 C[C@H](NCC(=O)C1CC1)C(=O)O 269956a_100000743915_100000746382 [0,1,0,1,0,0|1,0,0]=3 6542 B12R1.1360 C[C@H](OCC(=O)C1CC1)C(=O)[O-] 7a_217856618621_100000746382 [0,1,0,1,0,0|1,0,1]=4 6543 B12R1.1360 NC(=O)C(F)OCC(=O)C1CC1 34a_100000686663_100009813875 [0,1,0,1,0,0|2,0,0]=4 6544 B12R1.1360 NC(=O)C(F)SCC(=O)C1CC1 62a_100000746382_100009813875 [0,1,0,1,0,0|2,0,0]=4 6545 B12R1.1360 NC(=O)C(F)SCC(=O)C1CC1 62a_100009813875_100000746382 [0,1,0,1,0,0|2,0,0]=4 6546 B12R1.1360 O=C(COC(F)C(=O)[O-])C1CC1 34a_100000686663_100020610796 [0,1,0,1,0,0|1,0,1]=4 6547 B12R1.1360 O=C(CSC(F)C(=O)[O-])C1CC1 62a_100000746382_100020610796 [0,1,0,1,0,0|1,0,1]=4 6548 B12R1.1360 O=C(CSC(F)C(=O)[O-])C1CC1 62a_100020610796_100000746382 [0,1,0,1,0,0|1,0,1]=4 6549 B12R1.33 C#CC(C)C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000035995 [0,1,0,1,0,0|0,0,2]=4 6550 B12R1.33 CC(C#N)C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000703298 [0,1,0,1,0,0|1,0,1]=4 6551 B12R1.33 CCC(C)C(=O)C1CCC(=O)N1 1458a_100000210400_100000758301 [0,1,0,1,0,0|1,0,0]=3 6552 B12R1.33 CCC(C)C(=O)C1CCC(C1)O 1458a_100000688591_100000758301 [0,1,0,1,0,0|1,0,1]=4 6553 B12R1.33 CCC(C)C(=O)C1CNC(=O)C1 1458a_100000747279_100000758301 [0,1,0,1,0,0|2,0,0]=4 6554 B12R1.33 CCC(C)C(=O)C1CNC(=O)N1 1458a_100000033324_100000758301 [0,1,0,1,0,0|2,0,0]=4 6555 B12R1.33 CCC(C)C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000758301 [0,1,0,1,0,0|0,0,0]=2 6556 B12R1.33 CCC(C)C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000758301 [0,1,0,1,0,0|2,0,0]=4 6557 B12R1.33 CCN(C)C(=O)C1CCC(=O)N1 240690a_100000225621_100000210400 [0,1,0,1,0,0|2,0,0]=4 6558 B12R1.33 CCN(C)C(=O)[C@@H]1CCC(=O)O1 11a_100000225621_100009814974 [0,1,0,1,0,0|1,0,0]=3 6559 B12R1.33 CCN(C)C(=O)[C@@H]1CCC(=O)O1 1626a_100000225621_100009814974 [0,1,0,1,0,0|1,0,0]=3 6560 B12R1.33 CCN(C)C(=O)[C@@H]1CCC(=O)O1 240690a_100000225621_100009814974 [0,1,0,1,0,0|1,0,0]=3 6561 B12R1.33 CCN(C)C(=O)[C@@H]1CCC(=O)O1 527a_100000225621_100009814974 [0,1,0,1,0,0|1,0,0]=3 6562 B12R1.469 CCC(C)C(=O)CC1CC(=O)C1 1458a_100011192722_100009874392 [0,1,0,1,0,0|1,0,0]=3 6563 B12R1.469 CCC(O)C(=O)CC1CC(=O)C1 1458a_100011196387_100009874392 [0,1,0,1,0,0|1,0,0]=3 6564 B12R1.469 COC(C)C(=O)CC1CC(=O)C1 1458a_100000743197_100009874392 [0,1,0,1,0,0|2,0,0]=4 6565 B12R1.469 CSC(C)C(=O)CC1CC(=O)C1 1458a_100000149566_100009874392 [0,1,0,1,0,0|2,0,0]=4 6566 B12R1.469 O=C1CC(C1)CC(=O)C(O)CO 1458a_100011215603_100009874392 [0,1,0,1,0,0|2,0,0]=4 6567 B12R1.471 CCC(C)C(=O)CCCC1CO1 1458a_100011192722_100000733510 [0,1,0,1,0,0|1,0,1]=4 6568 B12R1.471 CCC(O)C(=O)CCCC1CO1 1458a_100011196387_100000733510 [0,1,0,1,0,0|1,0,1]=4 6569 B12R1.870 CN1CCC(C1=O)NCC(=O)O 269956a_100016091260_100000755940 [0,1,0,1,0,0|2,0,0]=4 6570 B12R1.1357 CC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100011215641 [0,1,0,1,0,0|1,0,0]=3 6571 B12R1.1357 CC(=O)CCCC(=O)C1CCO1 1458a_100000089072_100011215641 [0,1,0,1,0,0|1,0,0]=3 6572 B12R1.1357 CC(=O)CCCC(=O)C1COC1 1458a_100000758290_100011215641 [0,1,0,1,0,0|1,0,0]=3 6573 B12R1.1357 CC(=O)COCC(=O)C1CCC1 34a_100000211253_100000686122 [0,1,0,1,0,0|2,0,0]=4 6574 B12R1.1357 CC(=O)COCC(=O)N1CCC1 34a_100000211253_100000185095 [0,1,0,1,0,0|2,0,0]=4 6575 B12R1.1357 CC(=O)NCCC(=O)C1CCC1 1458a_100000183196_100000749161 [0,1,0,1,0,0|2,0,0]=4 6576 B12R1.1357 CC(=O)NCCC(=O)C1CCC1 1458a_100000209988_100000189650 [0,1,0,1,0,0|2,0,0]=4 6577 B12R1.1357 CC(=O)NCCC(=O)C1CCO1 1458a_100000089072_100000189650 [0,1,0,1,0,0|2,0,0]=4 6578 B12R1.1357 CC(=O)NCCC(=O)C1COC1 1458a_100000183196_100000687716 [0,1,0,1,0,0|2,0,0]=4 6579 B12R1.1357 CC(=O)NCCC(=O)C1COC1 1458a_100000758290_100000189650 [0,1,0,1,0,0|2,0,0]=4 6580 B12R1.1357 CC(=O)NCCC(=O)N1CCC1 11a_100000754969_100000183196 [0,1,0,1,0,0|2,0,0]=4 6581 B12R1.1357 CC(=O)NCCC(=O)N1CCC1 240690a_100000754969_100000183196 [0,1,0,1,0,0|2,0,0]=4 6582 B12R1.1357 CC(=O)NCCC(=O)N1CCC1 527a_100000754969_100000183196 [0,1,0,1,0,0|2,0,0]=4 6583 B12R1.1357 CC(=O)OCCC(=O)C1CCC1 1458a_100000209988_100009814007 [0,1,0,1,0,0|2,0,0]=4 6584 B12R1.1357 CC(=O)OCCC(=O)C1CCO1 1458a_100000089072_100009814007 [0,1,0,1,0,0|2,0,0]=4 6585 B12R1.1357 CC(=O)OCCC(=O)C1COC1 1458a_100000758290_100009814007 [0,1,0,1,0,0|2,0,0]=4 6586 B12R1.1357 CC(=O)SCCC(=O)C1CCC1 1458a_100000048949_100000749161 [0,1,0,1,0,0|2,0,0]=4 6587 B12R1.1357 CC(=O)SCCC(=O)C1COC1 1458a_100000048949_100000687716 [0,1,0,1,0,0|2,0,0]=4 6588 B12R1.1357 CC(=O)SCCC(=O)N1CCC1 240690a_100000754969_100000048949 [0,1,0,1,0,0|2,0,0]=4 6589 B12R1.1357 CC(O)CCCC(=O)C1CCC1 1458a_100000209988_200000718107 [0,1,0,1,0,0|1,0,1]=4 6590 B12R1.1357 CC(O)CCCC(=O)C1CCO1 1458a_100000089072_200000718107 [0,1,0,1,0,0|1,0,1]=4 6591 B12R1.1357 CC(O)CCCC(=O)C1COC1 1458a_100000758290_200000718107 [0,1,0,1,0,0|1,0,1]=4 6592 B12R1.1357 CC(O)CCCC(=O)N1CCC1 527a_100000754969_100000761597 [0,1,0,1,0,0|1,0,1]=4 6593 B12R1.1357 CN(CCCC(=O)O)C1CCC1 269956a_100000719178_100000749161 [0,1,0,1,0,0|2,0,0]=4 6594 B12R1.1357 CN(CCCC(=O)O)C1COC1 269956a_100000719178_100009818527 [0,1,0,1,0,0|2,0,0]=4 6595 B12R1.1357 NC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100102525003 [0,1,0,1,0,0|1,0,0]=3 6596 B12R1.1357 NC(=O)CCCC(=O)C1CCO1 1458a_100000089072_100102525003 [0,1,0,1,0,0|1,0,0]=3 6597 B12R1.1357 NC(=O)CCCC(=O)C1COC1 1458a_100000758290_100102525003 [0,1,0,1,0,0|1,0,0]=3 6598 B12R1.1357 NC(=O)CCNC(=O)C1CCC1 11a_100000740010_100000209988 [0,1,0,1,0,0|2,0,0]=4 6599 B12R1.1357 NC(=O)CCNC(=O)C1CCC1 240690a_100000740010_100000209988 [0,1,0,1,0,0|2,0,0]=4 6600 B12R1.1357 NC(=O)CCNC(=O)C1CCC1 527a_100000740010_100000209988 [0,1,0,1,0,0|2,0,0]=4 6601 B12R1.1357 NC(=O)CCNC(=O)C1CCO1 11a_100000740010_100000089072 [0,1,0,1,0,0|2,0,0]=4 6602 B12R1.1357 NC(=O)CCNC(=O)C1CCO1 240690a_100000740010_100000089072 [0,1,0,1,0,0|2,0,0]=4 6603 B12R1.1357 NC(=O)CCNC(=O)C1CCO1 527a_100000740010_100000089072 [0,1,0,1,0,0|2,0,0]=4 6604 B12R1.1357 NC(=O)CCNC(=O)C1COC1 11a_100000740010_100000758290 [0,1,0,1,0,0|2,0,0]=4 6605 B12R1.1357 NC(=O)CCNC(=O)C1COC1 240690a_100000740010_100000758290 [0,1,0,1,0,0|2,0,0]=4 6606 B12R1.1357 NC(=O)CCNC(=O)C1COC1 527a_100000740010_100000758290 [0,1,0,1,0,0|2,0,0]=4 6607 B12R1.1357 NC(=O)CCNC(=O)N1CCC1 273464a_100000740010_100000754969 [0,1,0,1,0,0|2,0,0]=4 6608 B12R1.1357 NC(=O)CNCC(=O)C1CCC1 2230a_100000711301_100000686122 [0,1,0,1,0,0|2,0,0]=4 6609 B12R1.1357 NC(=O)CNCC(=O)N1CCC1 2230a_100000711301_100000185095 [0,1,0,1,0,0|2,0,0]=4 6610 B12R1.1357 NC(=O)COCC(=O)C1CCC1 1458a_100011219004_100000749161 [0,1,0,1,0,0|2,0,0]=4 6611 B12R1.1357 NC(=O)COCC(=O)C1COC1 1458a_100011219004_100000687716 [0,1,0,1,0,0|2,0,0]=4 6612 B12R1.1357 NC(=O)COCC(=O)N1CCC1 240690a_100000754969_100011219004 [0,1,0,1,0,0|2,0,0]=4 6613 B12R1.1357 NC(=O)COCC(=O)N1CCC1 527a_100000754969_100011219004 [0,1,0,1,0,0|2,0,0]=4 6614 B12R1.1357 NC(=O)CSCC(=O)C1CCC1 62a_100000686122_100000747473 [0,1,0,1,0,0|2,0,0]=4 6615 B12R1.1357 NC(=O)CSCC(=O)C1CCC1 62a_100000747473_100000686122 [0,1,0,1,0,0|2,0,0]=4 6616 B12R1.1357 NC(=O)CSCC(=O)N1CCC1 11a_100000754969_100000150265 [0,1,0,1,0,0|2,0,0]=4 6617 B12R1.1357 NC(=O)CSCC(=O)N1CCC1 240690a_100000754969_100000150265 [0,1,0,1,0,0|2,0,0]=4 6618 B12R1.1357 NC(=O)CSCC(=O)N1CCC1 527a_100000754969_100000150265 [0,1,0,1,0,0|2,0,0]=4 6619 B12R1.1357 NC(=O)CSCC(=O)N1CCC1 62a_100000185095_100000747473 [0,1,0,1,0,0|2,0,0]=4 6620 B12R1.1357 NC(=O)CSCC(=O)N1CCC1 62a_100000747473_100000185095 [0,1,0,1,0,0|2,0,0]=4 6621 B12R1.1357 NC(=O)NCCC(=O)C1CCC1 1458a_100000181464_100000749161 [0,1,0,1,0,0|2,0,0]=4 6622 B12R1.1357 NC(=O)NCCC(=O)C1CCC1 1458a_100000209988_200000034859 [0,1,0,1,0,0|2,0,0]=4 6623 B12R1.1357 NC(=O)NCCC(=O)C1CCO1 1458a_100000089072_200000034859 [0,1,0,1,0,0|2,0,0]=4 6624 B12R1.1357 NC(=O)NCCC(=O)C1COC1 1458a_100000181464_100000687716 [0,1,0,1,0,0|2,0,0]=4 6625 B12R1.1357 NC(=O)NCCC(=O)C1COC1 1458a_100000758290_200000034859 [0,1,0,1,0,0|2,0,0]=4 6626 B12R1.1357 NC(=O)NCCC(=O)N1CCC1 240690a_100000754969_100000181464 [0,1,0,1,0,0|2,0,0]=4 6627 B12R1.1357 NC(=O)NCCC(=O)N1CCC1 527a_100000754969_100000181464 [0,1,0,1,0,0|2,0,0]=4 6628 B12R1.1357 NC(=O)OCCC(=O)C1CCC1 1458a_100000209988_200011214921 [0,1,0,1,0,0|2,0,0]=4 6629 B12R1.1357 NC(=O)OCCC(=O)C1CCO1 1458a_100000089072_200011214921 [0,1,0,1,0,0|2,0,0]=4 6630 B12R1.1357 NC(=O)OCCC(=O)C1COC1 1458a_100000758290_200011214921 [0,1,0,1,0,0|2,0,0]=4 6631 B12R1.1357 O=C(CCC[N+](=O)[O-])C1CCC1 1458a_100016109205_100000749161 [0,1,0,1,0,0|1,0,1]=4 6632 B12R1.1357 O=C(CCC[N+](=O)[O-])C1COC1 1458a_100016109205_100000687716 [0,1,0,1,0,0|1,0,1]=4 6633 B12R1.1357 O=C(CCC[N+](=O)[O-])N1CCC1 11a_100000754969_100016109205 [0,1,0,1,0,0|1,0,1]=4 6634 B12R1.1357 O=C(CCC[N+](=O)[O-])N1CCC1 240690a_100000754969_100016109205 [0,1,0,1,0,0|1,0,1]=4 6635 B12R1.1357 O=C(CCC[N+](=O)[O-])N1CCC1 527a_100000754969_100016109205 [0,1,0,1,0,0|1,0,1]=4 6636 B12R1.1357 O=C(O)CNCC(=O)C1CCC1 269956a_100016091260_100000686122 [0,1,0,1,0,0|1,0,0]=3 6637 B12R1.1357 O=C(O)CNCC(=O)N1CCC1 269956a_100016091260_100000185095 [0,1,0,1,0,0|1,0,0]=3 6638 B12R1.1357 O=C([O-])CSCC(=O)C1CCC1 62a_100000686122_100020667443 [0,1,0,1,0,0|1,0,1]=4 6639 B12R1.1357 O=C([O-])CSCC(=O)C1CCC1 62a_100020667443_100000686122 [0,1,0,1,0,0|1,0,1]=4 6640 B12R1.1357 O=C([O-])CSCC(=O)N1CCC1 62a_100000185095_100020667443 [0,1,0,1,0,0|1,0,1]=4 6641 B12R1.1357 O=C([O-])CSCC(=O)N1CCC1 62a_100020667443_100000185095 [0,1,0,1,0,0|1,0,1]=4 6642 B12R1.1358 CC(=O)CCCC(=O)C1(CC1)C 1458a_100000756474_100011215641 [0,1,0,1,0,0|1,0,0]=3 6643 B12R1.1358 CC(=O)CCCC(=O)C1(CC1)F 1458a_100000055089_100011215641 [0,1,0,1,0,0|1,0,0]=3 6644 B12R1.1358 CC(=O)CCCC(=O)C1(CC1)O 1458a_100000241761_100011215641 [0,1,0,1,0,0|1,0,0]=3 6645 B12R1.1358 CC(=O)NCCC(=O)C1(CC1)C 1458a_100000756474_100000189650 [0,1,0,1,0,0|2,0,0]=4 6646 B12R1.1358 CC(=O)NCCC(=O)C1(CC1)F 1458a_100000055089_100000189650 [0,1,0,1,0,0|2,0,0]=4 6647 B12R1.1358 CC(=O)NCCC(=O)C1(CC1)O 1458a_100000241761_100000189650 [0,1,0,1,0,0|2,0,0]=4 6648 B12R1.1358 CC(=O)OCCC(=O)C1(CC1)C 1458a_100000756474_100009814007 [0,1,0,1,0,0|2,0,0]=4 6649 B12R1.1358 CC(=O)OCCC(=O)C1(CC1)F 1458a_100000055089_100009814007 [0,1,0,1,0,0|2,0,0]=4 6650 B12R1.1358 CC(=O)OCCC(=O)C1(CC1)O 1458a_100000241761_100009814007 [0,1,0,1,0,0|2,0,0]=4 6651 B12R1.1358 CC(O)CCCC(=O)C1(CC1)C 1458a_100000756474_200000718107 [0,1,0,1,0,0|1,0,1]=4 6652 B12R1.1358 CC(O)CCCC(=O)C1(CC1)F 1458a_100000055089_200000718107 [0,1,0,1,0,0|1,0,1]=4 6653 B12R1.1358 CC(O)CCCC(=O)C1(CC1)O 1458a_100000241761_200000718107 [0,1,0,1,0,0|1,0,1]=4 6654 B12R1.1358 CC1(CC1)C(=O)CCCC(=O)N 1458a_100000756474_100102525003 [0,1,0,1,0,0|1,0,0]=3 6655 B12R1.1358 CC1(CC1)C(=O)CCNC(=O)N 1458a_100000756474_200000034859 [0,1,0,1,0,0|2,0,0]=4 6656 B12R1.1358 CC1(CC1)C(=O)CCOC(=O)N 1458a_100000756474_200011214921 [0,1,0,1,0,0|2,0,0]=4 6657 B12R1.1358 CC1(CC1)C(=O)NCCC(=O)N 11a_100000740010_100000756474 [0,1,0,1,0,0|2,0,0]=4 6658 B12R1.1358 CC1(CC1)C(=O)NCCC(=O)N 240690a_100000740010_100000756474 [0,1,0,1,0,0|2,0,0]=4 6659 B12R1.1358 CC1(CC1)C(=O)NCCC(=O)N 527a_100000740010_100000756474 [0,1,0,1,0,0|2,0,0]=4 6660 B12R1.1358 NC(=O)CCCC(=O)C1(CC1)F 1458a_100000055089_100102525003 [0,1,0,1,0,0|1,0,0]=3 6661 B12R1.1358 NC(=O)CCCC(=O)C1(CC1)O 1458a_100000241761_100102525003 [0,1,0,1,0,0|1,0,0]=3 6662 B12R1.1358 NC(=O)CCNC(=O)C1(CC1)F 11a_100000740010_100000055089 [0,1,0,1,0,0|2,0,0]=4 6663 B12R1.1358 NC(=O)CCNC(=O)C1(CC1)F 240690a_100000740010_100000055089 [0,1,0,1,0,0|2,0,0]=4 6664 B12R1.1358 NC(=O)CCNC(=O)C1(CC1)F 527a_100000740010_100000055089 [0,1,0,1,0,0|2,0,0]=4 6665 B12R1.1358 NC(=O)CCNC(=O)C1(CC1)O 240690a_100000740010_100000241761 [0,1,0,1,0,0|2,0,0]=4 6666 B12R1.1358 NC(=O)NCCC(=O)C1(CC1)F 1458a_100000055089_200000034859 [0,1,0,1,0,0|2,0,0]=4 6667 B12R1.1358 NC(=O)NCCC(=O)C1(CC1)O 1458a_100000241761_200000034859 [0,1,0,1,0,0|2,0,0]=4 6668 B12R1.1358 NC(=O)OCCC(=O)C1(CC1)F 1458a_100000055089_200011214921 [0,1,0,1,0,0|2,0,0]=4 6669 B12R1.1358 NC(=O)OCCC(=O)C1(CC1)O 1458a_100000241761_200011214921 [0,1,0,1,0,0|2,0,0]=4 6670 B12R1.1658 O=C1CCN(CCN1)C(=O)CO 240690a_100000698595_100000210174 [0,1,0,1,0,0|2,0,0]=4 6671 B12R1.1658 O=C1CCN(CCN1)C(=O)CO 527a_100000698595_100000210174 [0,1,0,1,0,0|2,0,0]=4 6672 B12R1.1663 CCC(C)N1CC(C1)CC(=O)O 269956a_100016993960_100000758301 [0,1,0,1,0,0|2,0,0]=4 6673 B12R1.29 C#CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000753159 [0,1,0,1,0,0|1,0,1]=4 6674 B12R1.29 C#CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000753159 [0,1,0,1,0,0|0,0,1]=3 6675 B12R1.29 C#CCNC(=O)[C@@H]1CCC(=O)O1 11a_100000212058_100009814974 [0,1,0,1,0,0|0,0,2]=4 6676 B12R1.29 C#CCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000212058_100009814974 [0,1,0,1,0,0|0,0,2]=4 6677 B12R1.29 C#CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000212058_100009814974 [0,1,0,1,0,0|0,0,2]=4 6678 B12R1.29 C#CCNC(=O)[C@@H]1CCC(=O)O1 527a_100000212058_100009814974 [0,1,0,1,0,0|0,0,2]=4 6679 B12R1.29 C/C=C/CC(=O)C1CCC(=O)N1 1458a_100000210400_100102629194 [0,1,0,1,0,0|1,0,1]=4 6680 B12R1.29 C/C=C/CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100102629194 [0,1,0,1,0,0|0,0,1]=3 6681 B12R1.29 C=CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000754431 [0,1,0,1,0,0|1,0,1]=4 6682 B12R1.29 C=CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000754431 [0,1,0,1,0,0|0,0,1]=3 6683 B12R1.29 C=CCNC(=O)[C@@H]1CCC(=O)O1 1626a_100020586998_100009814974 [0,1,0,1,0,0|0,0,2]=4 6684 B12R1.29 C=CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100020586998_100009814974 [0,1,0,1,0,0|0,0,2]=4 6685 B12R1.29 C=CCNC(=O)[C@@H]1CCC(=O)O1 527a_100020586998_100009814974 [0,1,0,1,0,0|0,0,2]=4 6686 B12R1.29 CC#CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000748600 [0,1,0,1,0,0|1,0,1]=4 6687 B12R1.29 CC#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000748600 [0,1,0,1,0,0|0,0,1]=3 6688 B12R1.29 CC=CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000070051 [0,1,0,1,0,0|1,0,1]=4 6689 B12R1.29 CC=CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000070051 [0,1,0,1,0,0|0,0,1]=3 6690 B12R1.29 CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210211 [0,1,0,1,0,0|1,0,0]=3 6691 B12R1.29 CCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210211 [0,1,0,1,0,0|1,0,1]=4 6692 B12R1.29 CCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210211 [0,1,0,1,0,0|2,0,0]=4 6693 B12R1.29 CCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210211 [0,1,0,1,0,0|2,0,0]=4 6694 B12R1.29 CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210211 [0,1,0,1,0,0|0,0,0]=2 6695 B12R1.29 CCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210211 [0,1,0,1,0,0|2,0,0]=4 6696 B12R1.29 CCCNC(=O)C1CCC(=O)N1 240690a_100020643023_100000210400 [0,1,0,1,0,0|1,0,0]=3 6697 B12R1.29 CCCNC(=O)C1CCC(C1)O 1626a_100020643023_100000688591 [0,1,0,1,0,0|1,0,1]=4 6698 B12R1.29 CCCNC(=O)C1CCC(C1)O 240690a_100020643023_100000688591 [0,1,0,1,0,0|1,0,1]=4 6699 B12R1.29 CCCNC(=O)C1CNC(=O)C1 11a_100020643023_100000747279 [0,1,0,1,0,0|2,0,0]=4 6700 B12R1.29 CCCNC(=O)C1CNC(=O)C1 1626a_100020643023_100000747279 [0,1,0,1,0,0|2,0,0]=4 6701 B12R1.29 CCCNC(=O)C1CNC(=O)C1 240690a_100020643023_100000747279 [0,1,0,1,0,0|2,0,0]=4 6702 B12R1.29 CCCNC(=O)C1CNC(=O)C1 527a_100020643023_100000747279 [0,1,0,1,0,0|2,0,0]=4 6703 B12R1.29 CCCNC(=O)C1CNC(=O)N1 11a_100020643023_100000033324 [0,1,0,1,0,0|2,0,0]=4 6704 B12R1.29 CCCNC(=O)C1CNC(=O)N1 240690a_100020643023_100000033324 [0,1,0,1,0,0|2,0,0]=4 6705 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 11a_100020643023_100009814974 [0,1,0,1,0,0|0,0,0]=2 6706 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100020643023_100009814974 [0,1,0,1,0,0|0,0,0]=2 6707 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100020643023_100009814974 [0,1,0,1,0,0|0,0,0]=2 6708 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 527a_100020643023_100009814974 [0,1,0,1,0,0|0,0,0]=2 6709 B12R1.29 CCCNC(=O)[C@@H]1CSC(=O)N1 240690a_100020643023_100000735014 [0,1,0,1,0,0|2,0,0]=4 6710 B12R1.29 CCNNC(=O)C1CCC(=O)N1 22a_100000756455_100000210400 [0,1,0,1,0,0|2,0,0]=4 6711 B12R1.29 CCNNC(=O)[C@@H]1CCC(=O)O1 22a_100000756455_100009814974 [0,1,0,1,0,0|1,0,0]=3 6712 B12R1.29 COCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000233755 [0,1,0,1,0,0|1,0,0]=3 6713 B12R1.29 COCCC(=O)C1CCC(C1)O 1458a_100000688591_100000233755 [0,1,0,1,0,0|1,0,1]=4 6714 B12R1.29 COCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000233755 [0,1,0,1,0,0|2,0,0]=4 6715 B12R1.29 COCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000233755 [0,1,0,1,0,0|2,0,0]=4 6716 B12R1.29 COCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000233755 [0,1,0,1,0,0|0,0,0]=2 6717 B12R1.29 COCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000233755 [0,1,0,1,0,0|2,0,0]=4 6718 B12R1.29 CSCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000751147 [0,1,0,1,0,0|1,0,0]=3 6719 B12R1.29 CSCCC(=O)C1CCC(C1)O 1458a_100000688591_100000751147 [0,1,0,1,0,0|1,0,1]=4 6720 B12R1.29 CSCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000751147 [0,1,0,1,0,0|2,0,0]=4 6721 B12R1.29 CSCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000751147 [0,1,0,1,0,0|2,0,0]=4 6722 B12R1.29 CSCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000751147 [0,1,0,1,0,0|0,0,0]=2 6723 B12R1.29 CSCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000751147 [0,1,0,1,0,0|2,0,0]=4 6724 B12R1.29 N#CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011215226 [0,1,0,1,0,0|1,0,1]=4 6725 B12R1.29 N#CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215226 [0,1,0,1,0,0|0,0,1]=3 6726 B12R1.29 N#CCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000734998_100009814974 [0,1,0,1,0,0|1,0,1]=4 6727 B12R1.29 N#CCNC(=O)[C@@H]1CCC(=O)O1 527a_100000734998_100009814974 [0,1,0,1,0,0|1,0,1]=4 6728 B12R1.29 O=C(CCCF)C1CCC(C1)O 1458a_100000688591_100011934791 [0,1,0,1,0,0|1,0,1]=4 6729 B12R1.29 O=C(CCCO)C1CCC(C1)O 1458a_100000688591_100011215043 [0,1,0,1,0,0|1,0,1]=4 6730 B12R1.29 O=C1CC(CN1)C(=O)CCCF 1458a_100000747279_100011934791 [0,1,0,1,0,0|2,0,0]=4 6731 B12R1.29 O=C1CC(CN1)C(=O)CCCO 1458a_100000747279_100011215043 [0,1,0,1,0,0|2,0,0]=4 6732 B12R1.29 O=C1CCC(N1)C(=O)CCCF 1458a_100000210400_100011934791 [0,1,0,1,0,0|1,0,0]=3 6733 B12R1.29 O=C1CCC(N1)C(=O)CCCO 1458a_100000210400_100011215043 [0,1,0,1,0,0|1,0,0]=3 6734 B12R1.29 O=C1CCC(N1)C(=O)NCCF 240690a_100000724931_100000210400 [0,1,0,1,0,0|2,0,0]=4 6735 B12R1.29 O=C1CCC(N1)C(=O)NCCO 240690a_100000210304_100000210400 [0,1,0,1,0,0|2,0,0]=4 6736 B12R1.29 O=C1CC[C@H](O1)C(=O)CCCF 1458a_100009814974_100011934791 [0,1,0,1,0,0|0,0,0]=2 6737 B12R1.29 O=C1CC[C@H](O1)C(=O)CCCO 1458a_100009814974_100011215043 [0,1,0,1,0,0|0,0,0]=2 6738 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 11a_100000724931_100009814974 [0,1,0,1,0,0|1,0,0]=3 6739 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 1626a_100000724931_100009814974 [0,1,0,1,0,0|1,0,0]=3 6740 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 240690a_100000724931_100009814974 [0,1,0,1,0,0|1,0,0]=3 6741 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 527a_100000724931_100009814974 [0,1,0,1,0,0|1,0,0]=3 6742 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCO 240690a_100000210304_100009814974 [0,1,0,1,0,0|1,0,0]=3 6743 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCO 527a_100000210304_100009814974 [0,1,0,1,0,0|1,0,0]=3 6744 B12R1.29 O=C1NCC(N1)C(=O)CCCF 1458a_100000033324_100011934791 [0,1,0,1,0,0|2,0,0]=4 6745 B12R1.29 O=C1NCC(N1)C(=O)CCCO 1458a_100000033324_100011215043 [0,1,0,1,0,0|2,0,0]=4 6746 B12R1.29 O=C1N[C@@H](CS1)C(=O)CCCF 1458a_100000735014_100011934791 [0,1,0,1,0,0|2,0,0]=4 6747 B12R1.29 O=C1N[C@@H](CS1)C(=O)CCCO 1458a_100000735014_100011215043 [0,1,0,1,0,0|2,0,0]=4 6748 B12R1.57 CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210202 [0,1,0,1,0,0|0,0,2]=4 6749 B12R1.332 CCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210211 [0,1,0,1,0,0|2,0,0]=4 6750 B12R1.332 CCOCN1CC(C1)CC(=O)O 269956a_100016993960_100000739092 [0,1,0,1,0,0|2,0,0]=4 6751 B12R1.332 COCCN1CC(C1)CC(=O)O 269956a_100016993960_100000233755 [0,1,0,1,0,0|2,0,0]=4 6752 B12R1.332 CSCCN1CC(C1)CC(=O)O 269956a_100016993960_100000212216 [0,1,0,1,0,0|2,0,0]=4 6753 B12R1.332 O=C(O)CC1CN(C1)CCCF 269956a_100016993960_100011934791 [0,1,0,1,0,0|2,0,0]=4 6754 B12R1.332 O=C(O)CC1CN(C1)CCCO 269956a_100016993960_100011215043 [0,1,0,1,0,0|2,0,0]=4 6755 B12R1.337 CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210207 [0,1,0,1,0,0|1,0,1]=4 6756 B12R1.462 C#CCCC(=O)CC1CC(=O)C1 1458a_100000692101_100009874392 [0,1,0,1,0,0|1,0,1]=4 6757 B12R1.462 C=CCCC(=O)CC1CC(=O)C1 1458a_100000749702_100009874392 [0,1,0,1,0,0|1,0,1]=4 6758 B12R1.462 CC=CCC(=O)CC1CC(=O)C1 1458a_100121576822_100009874392 [0,1,0,1,0,0|1,0,1]=4 6759 B12R1.462 CCC#CC(=O)CC1CC(=O)C1 1458a_100011827653_100009874392 [0,1,0,1,0,0|1,0,1]=4 6760 B12R1.462 CCC=CC(=O)CC1CC(=O)C1 1458a_100000212282_100009874392 [0,1,0,1,0,0|1,0,1]=4 6761 B12R1.462 CCCCC(=O)CC1CC(=O)C1 1458a_100000210183_100009874392 [0,1,0,1,0,0|1,0,0]=3 6762 B12R1.462 CCOCC(=O)CC1CC(=O)C1 1458a_100000211967_100009874392 [0,1,0,1,0,0|1,0,0]=3 6763 B12R1.462 CCSCC(=O)CC1CC(=O)C1 1458a_100000230394_100009874392 [0,1,0,1,0,0|1,0,0]=3 6764 B12R1.462 COCCC(=O)CC1CC(=O)C1 1458a_100000749529_100009874392 [0,1,0,1,0,0|1,0,0]=3 6765 B12R1.462 CSCCC(=O)CC1CC(=O)C1 1458a_100000174002_100009874392 [0,1,0,1,0,0|1,0,0]=3 6766 B12R1.462 N#CCCC(=O)CC1CC(=O)C1 1458a_100011934036_100009874392 [0,1,0,1,0,0|1,0,1]=4 6767 B12R1.464 CCCCC(=O)CCCC1CO1 1458a_100000210183_100000733510 [0,1,0,1,0,0|1,0,1]=4 6768 B12R1.464 CCOCC(=O)CCCC1CO1 1458a_100000211967_100000733510 [0,1,0,1,0,0|1,0,1]=4 6769 B12R1.464 CCSCC(=O)CCCC1CO1 1458a_100000230394_100000733510 [0,1,0,1,0,0|1,0,1]=4 6770 B12R1.464 COCCC(=O)CCCC1CO1 1458a_100000749529_100000733510 [0,1,0,1,0,0|1,0,1]=4 6771 B12R1.464 CSCCC(=O)CCCC1CO1 1458a_100000174002_100000733510 [0,1,0,1,0,0|1,0,1]=4 6772 B12R1.895 O=C(O)CNC1C(=O)CCC1=O 269956a_100016091260_100009820769 [0,1,0,1,0,0|1,0,1]=4 6773 B12R1.1236 CC(=O)N1CCC(=O)NC[C@@H]1C 11a_102125656889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6774 B12R1.1236 CC(=O)N1CCC(=O)NC[C@@H]1C 1626a_102125656889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6775 B12R1.1236 CC(=O)N1CCC(=O)NC[C@@H]1C 240690a_102125656889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6776 B12R1.1236 CC(=O)N1CCC(=O)NC[C@@H]1C 527a_102125656889_100103153847 [0,1,0,1,0,0|2,0,0]=4 6777 B12R1.50 CN1CCCC(C1)CC(=O)CO 1458a_100000210174_100015183302 [0,1,0,1,0,0|2,0,0]=4 6778 B12R1.50 COC(=O)CC1CCCN(C1)C 2230a_100016989293_200000210301 [0,1,0,1,0,0|2,0,0]=4 6779 B12R1.50 COC(=O)CC1CCCN(C1)C 269982a_100016989293_200000210301 [0,1,0,1,0,0|2,0,0]=4 6780 B12R1.50 COC(=O)CC1CCCN(C1)[13CH3] 2230a_100016989293_200025704644 [0,1,0,1,0,0|2,0,0]=4 6781 B12R1.50 COC(=O)CC1CCCN(C1)[13CH3] 269982a_100016989293_200025704644 [0,1,0,1,0,0|2,0,0]=4 6782 B12R1.50 COC(=O)CN1CCNC(=O)C1 2230a_100000184651_100000747449 [0,1,0,1,0,0|2,0,0]=4 6783 B12R1.50 COC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747449 [0,1,0,1,0,0|2,0,0]=4 6784 B12R1.50 O=C1CC(CCN1)NC(=O)CO 240690a_100016994916_100000210174 [0,1,0,1,0,0|2,0,0]=4 6785 B12R1.50 O=C1CC(CCN1)NC(=O)CO 527a_100016994916_100000210174 [0,1,0,1,0,0|2,0,0]=4 6786 B12R1.177 CCCN1CC(C1)CC(=O)OC 269982a_100016993681_100000210303 [0,1,0,1,0,0|2,0,0]=4 6787 B12R1.179 CCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210303 [0,1,0,1,0,0|2,0,0]=4 6788 B12R1.179 CCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000210303 [0,1,0,1,0,0|2,0,0]=4 6789 B12R1.353 C#CC(=O)CCN1CCCC1=O 1458a_100000211873_100000742232 [0,1,0,1,0,0|2,0,0]=4 6790 B12R1.353 C=CC(=O)CCN1CCCC1=O 1458a_100000185746_100000742232 [0,1,0,1,0,0|2,0,0]=4 6791 B12R1.353 CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210202 [0,1,0,1,0,0|2,0,0]=4 6792 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000210414_100000742232 [0,1,0,1,0,0|2,0,0]=4 6793 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210202 [0,1,0,1,0,0|2,0,0]=4 6794 B12R1.353 CCC(=O)COC1CCCC1=O 34a_100000725409_100000709159 [0,1,0,1,0,0|2,0,0]=4 6795 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000211823_100000747405 [0,1,0,1,0,0|2,0,0]=4 6796 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000747405_100000211823 [0,1,0,1,0,0|2,0,0]=4 6797 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [0,1,0,1,0,0|2,0,0]=4 6798 B12R1.353 CNC(=O)CCC1CCOC1=O 11a_106832991635_100000117037 [0,1,0,1,0,0|2,0,0]=4 6799 B12R1.353 CNC(=O)CCC1CCOC1=O 1626a_100102657272_100000117037 [0,1,0,1,0,0|2,0,0]=4 6800 B12R1.353 CNC(=O)CCC1CCOC1=O 240690a_100102657272_100000117037 [0,1,0,1,0,0|2,0,0]=4 6801 B12R1.353 CNC(=O)CCC1CCOC1=O 527a_100102657272_100000117037 [0,1,0,1,0,0|2,0,0]=4 6802 B12R1.353 CNC(=O)CCN1CCCC1=O 11a_106832991635_100000751031 [0,1,0,1,0,0|2,0,0]=4 6803 B12R1.353 CNC(=O)CCN1CCCC1=O 1626a_100102657272_100000751031 [0,1,0,1,0,0|2,0,0]=4 6804 B12R1.353 CNC(=O)CCN1CCCC1=O 240690a_100102657272_100000751031 [0,1,0,1,0,0|2,0,0]=4 6805 B12R1.353 CNC(=O)CCN1CCCC1=O 527a_100102657272_100000751031 [0,1,0,1,0,0|2,0,0]=4 6806 B12R1.353 CNC(=O)CNC1CCCC1=O 2230a_100000693194_100000211823 [0,1,0,1,0,0|2,0,0]=4 6807 B12R1.353 CNC(=O)COC1CCCC1=O 34a_100000750040_100000709159 [0,1,0,1,0,0|2,0,0]=4 6808 B12R1.353 CNC(=O)COC1CCCC1=O 34a_200000719330_100000183359 [0,1,0,1,0,0|2,0,0]=4 6809 B12R1.353 CNC(=O)CSC1CCCC1=O 62a_100000183359_100000211823 [0,1,0,1,0,0|2,0,0]=4 6810 B12R1.353 CNC(=O)CSC1CCCC1=O 62a_100000211823_100000183359 [0,1,0,1,0,0|2,0,0]=4 6811 B12R1.353 COC(=O)CNC1CCNC1=O 2230a_100016995588_100000747449 [0,1,0,1,0,0|2,0,0]=4 6812 B12R1.353 COC(=O)CNC1CCNC1=O 34a_100016995588_100000747449 [0,1,0,1,0,0|2,0,0]=4 6813 B12R1.353 COC(=O)COC1CCCC1=O 34a_200000719330_100000747449 [0,1,0,1,0,0|1,0,0]=3 6814 B12R1.353 COC(=O)CO[C@H]1CCNC1=O 34a_100000688343_100000747449 [0,1,0,1,0,0|2,0,0]=4 6815 B12R1.353 COC(=O)CSC1CCCC1=O 62a_100000211823_100000747449 [0,1,0,1,0,0|1,0,0]=3 6816 B12R1.353 COC(=O)CSC1CCCC1=O 62a_100000747449_100000211823 [0,1,0,1,0,0|1,0,0]=3 6817 B12R1.353 COC(=O)CSC1CCOC1=O 62a_100000211211_100000747449 [0,1,0,1,0,0|2,0,0]=4 6818 B12R1.353 COC(=O)CSC1CCOC1=O 62a_100000747449_100000211211 [0,1,0,1,0,0|2,0,0]=4 6819 B12R1.353 O=C(CF)CCC1CCOC1=O 1458a_100000117037_100015361967 [0,1,0,1,0,0|2,0,0]=4 6820 B12R1.353 O=C(CF)CCN1CCCC1=O 1458a_100000751031_100015361967 [0,1,0,1,0,0|2,0,0]=4 6821 B12R1.353 O=C(CO)CCN1CCCC1=O 1458a_100000210174_100000742232 [0,1,0,1,0,0|1,0,0]=3 6822 B12R1.353 O=C(CO)CCN1CCNC1=O 1458a_100000210174_100000090651 [0,1,0,1,0,0|2,0,0]=4 6823 B12R1.394 COC(=O)CCCN1CC(C1)C 2230a_100000702820_100011218270 [0,1,0,1,0,0|2,0,0]=4 6824 B12R1.394 COC(=O)CCCN1CC(C1)C 269982a_100000702820_100011218270 [0,1,0,1,0,0|2,0,0]=4 6825 B12R1.394 COC(=O)CCCN1CC(C1)C 34a_100000702820_100000742333 [0,1,0,1,0,0|2,0,0]=4 6826 B12R1.477 COC(=O)CCCN1CCCC1 2230a_100000188435_100011218270 [0,1,0,1,0,0|2,0,0]=4 6827 B12R1.477 COC(=O)CCCN1CCCC1 269982a_100000188435_100011218270 [0,1,0,1,0,0|2,0,0]=4 6828 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,1,0,1,0,0|1,0,1]=4 6829 B12R1.477 O=C(CO)CCCN1CCCC1 1458a_100000210174_100011445909 [0,1,0,1,0,0|2,0,0]=4 6830 B12R1.1562 C#CCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000184674 [0,1,0,1,0,0|0,0,2]=4 6831 B12R1.1562 C=CCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210623 [0,1,0,1,0,0|0,0,2]=4 6832 B12R1.1562 CCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210303 [0,1,0,1,0,0|0,0,0]=2 6833 B12R1.1562 CCCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000211992 [0,1,0,1,0,0|1,0,0]=3 6834 B12R1.1562 CCNC(=O)C1CC1C(=O)OC 11a_100015525214_100000750770 [0,1,0,1,0,0|1,0,0]=3 6835 B12R1.1562 CCNC(=O)C1CC1C(=O)OC 240690a_100015525214_100000750770 [0,1,0,1,0,0|1,0,0]=3 6836 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)CC 1458a_100009818562_100000210202 [0,1,0,1,0,0|2,0,0]=4 6837 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)CF 1458a_100009818562_100015361967 [0,1,0,1,0,0|2,0,0]=4 6838 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)NC 11a_106832991635_100009818562 [0,1,0,1,0,0|2,0,0]=4 6839 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)NC 240690a_100102657272_100009818562 [0,1,0,1,0,0|2,0,0]=4 6840 B12R1.1562 COC(=O)C1CC1C(=O)CC#N 1458a_100000750770_100011214920 [0,1,0,1,0,0|1,0,1]=4 6841 B12R1.1562 COC(=O)C1CC1C(=O)CCF 1458a_100000750770_100011217306 [0,1,0,1,0,0|1,0,0]=3 6842 B12R1.1562 COC(=O)C1CC1C(=O)CCO 1458a_100000750770_100000211926 [0,1,0,1,0,0|1,0,0]=3 6843 B12R1.1562 COC(=O)C1CN1C(=O)CCO 240690a_200009830135_100011216618 [0,1,0,1,0,0|2,0,0]=4 6844 B12R1.1562 COC(=O)C1CN1C(=O)CSC 240690a_200009830135_100000184570 [0,1,0,1,0,0|2,0,0]=4 6845 B12R1.1562 COCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000210968 [0,1,0,1,0,0|2,0,0]=4 6846 B12R1.1579 CCCC(=O)C1CCN(C1=O)C 1458a_100000137746_100000210303 [0,1,0,1,0,0|2,0,0]=4 6847 B12R1.1579 CCCC(=O)C1CCN(C1=O)C 1458a_100000211992_100000755940 [0,1,0,1,0,0|2,0,0]=4 6848 B12R1.1579 CCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210303 [0,1,0,1,0,0|1,0,0]=3 6849 B12R1.1579 CCNC(=O)[C@H]1CCC(=O)N1C 11a_100015525214_100010979499 [0,1,0,1,0,0|2,0,0]=4 6850 B12R1.1579 CCNC(=O)[C@H]1CCC(=O)N1C 240690a_100015525214_100010979499 [0,1,0,1,0,0|2,0,0]=4 6851 B12R1.1579 CCNC(=O)[C@H]1CCC(=O)N1C 527a_100015525214_100010979499 [0,1,0,1,0,0|2,0,0]=4 6852 B12R1.1579 CN1C(=O)CC[C@@H]1C(=O)CCF 1458a_100010979499_100011217306 [0,1,0,1,0,0|2,0,0]=4 6853 B12R1.1579 CN1C(=O)CC[C@@H]1C(=O)CCO 1458a_100010979499_100000211926 [0,1,0,1,0,0|2,0,0]=4 6854 B12R1.1689 C=CC(=O)OCCC(=O)C1CC1 1458a_100000210395_100009813456 [0,1,0,1,0,0|2,0,0]=4 6855 B12R1.1689 CCC(=O)COCC(=O)C1CC1 34a_100000725409_100000746382 [0,1,0,1,0,0|2,0,0]=4 6856 B12R1.1689 CCC(=O)CSCC(=O)C1CC1 62a_100000746382_100000747405 [0,1,0,1,0,0|2,0,0]=4 6857 B12R1.1689 CCC(=O)CSCC(=O)C1CC1 62a_100000747405_100000746382 [0,1,0,1,0,0|2,0,0]=4 6858 B12R1.1689 CNC(=O)CCCC(=O)C1CC1 1458a_100000210395_100000741757 [0,1,0,1,0,0|1,0,0]=3 6859 B12R1.1689 CNC(=O)CCCC(=O)C1CO1 1458a_100000701028_100000741757 [0,1,0,1,0,0|2,0,0]=4 6860 B12R1.1689 CNC(=O)CCNC(=O)C1CC1 11a_100000738227_100000210395 [0,1,0,1,0,0|2,0,0]=4 6861 B12R1.1689 CNC(=O)CCNC(=O)C1CC1 240690a_100000738227_100000210395 [0,1,0,1,0,0|2,0,0]=4 6862 B12R1.1689 CNC(=O)CCNC(=O)C1CC1 527a_100000738227_100000210395 [0,1,0,1,0,0|2,0,0]=4 6863 B12R1.1689 CNC(=O)CNCC(=O)C1CC1 2230a_100000693194_100000746382 [0,1,0,1,0,0|2,0,0]=4 6864 B12R1.1689 CNC(=O)COCC(=O)C1CC1 34a_100000686663_100000183359 [0,1,0,1,0,0|2,0,0]=4 6865 B12R1.1689 CNC(=O)COCC(=O)C1CC1 34a_100000750040_100000746382 [0,1,0,1,0,0|2,0,0]=4 6866 B12R1.1689 CNC(=O)CSCC(=O)C1CC1 62a_100000183359_100000746382 [0,1,0,1,0,0|2,0,0]=4 6867 B12R1.1689 CNC(=O)CSCC(=O)C1CC1 62a_100000746382_100000183359 [0,1,0,1,0,0|2,0,0]=4 6868 B12R1.1689 CNC(=O)OCCC(=O)C1CC1 1458a_100000210395_200011997002 [0,1,0,1,0,0|2,0,0]=4 6869 B12R1.1689 COC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011218270 [0,1,0,1,0,0|0,0,0]=2 6870 B12R1.1689 COC(=O)CCCC(=O)C1CO1 1458a_100000701028_100011218270 [0,1,0,1,0,0|1,0,0]=3 6871 B12R1.1689 COC(=O)CCCN(C)C1CC1 2230a_100000226674_100011218270 [0,1,0,1,0,0|2,0,0]=4 6872 B12R1.1689 COC(=O)CCCN(C)C1CC1 269982a_100000226674_100011218270 [0,1,0,1,0,0|2,0,0]=4 6873 B12R1.1689 COC(=O)CCCN(C)C1CC1 269982a_100000739225_100000211595 [0,1,0,1,0,0|2,0,0]=4 6874 B12R1.1689 COC(=O)CCNC(=O)C1CC1 188690a_100000683876_100000210395 [0,1,0,1,0,0|1,0,0]=3 6875 B12R1.1689 COC(=O)CCNC(=O)C1CO1 188690a_100000683876_100000701028 [0,1,0,1,0,0|2,0,0]=4 6876 B12R1.1689 COC(=O)COCC(=O)C1CC1 34a_100000686663_100000747449 [0,1,0,1,0,0|1,0,0]=3 6877 B12R1.1689 COC(=O)CSCC(=O)C1CC1 62a_100000746382_100000747449 [0,1,0,1,0,0|1,0,0]=3 6878 B12R1.1689 COC(=O)CSCC(=O)C1CC1 62a_100000747449_100000746382 [0,1,0,1,0,0|1,0,0]=3 6879 B12R1.1703 COC(=O)[C@@H]1CNC(=O)CN1C 2230a_200015373194_200000210301 [0,1,0,1,0,0|2,0,0]=4 6880 B12R1.1703 COC(=O)[C@@H]1CNC(=O)CN1[13CH3] 2230a_200015373194_200025704644 [0,1,0,1,0,0|2,0,0]=4 6881 B12R1.3183 CS(=O)(=O)CCCC(=O)C1CC1 1458a_100000210395_100000754308 [0,1,0,1,0,0|1,0,1]=4 6882 B12R1.3183 NS(=O)(=O)CCCC(=O)C1CC1 1458a_100000210395_100000750626 [0,1,0,1,0,0|1,0,1]=4 6883 B12R1.3183 O=C(CCCS(=O)(=O)[O-])C1CC1 1458a_100000210395_100009813499 [0,1,0,1,0,0|1,0,1]=4 6884 B12R2.1369 O=C(O)CC1CN(C1)C2CC2 269956a_100016993960_100000211595 [0,0,0,2,0,0|2,0,0]=4 6885 B12R2.665 O=C1CC(C1)CC(=O)C2CC2 1458a_100000210395_100009874392 [0,0,0,2,0,0|1,0,0]=3 6886 B12R2.665 O=C1CC(C1)CC(=O)C2CO2 1458a_100000701028_100009874392 [0,0,0,2,0,0|2,0,0]=4 6887 B12R2.4794 O=C(CCCC1CO1)C2CC2 1458a_100000210395_100000733510 [0,0,0,2,0,0|1,0,1]=4 6888 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,0,0,0,1,0|2,0,0]=4 6889 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,0,0,0,1,0|2,0,0]=4 6890 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,0,0,0,1,0|1,0,0]=3 6891 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,0,0,0,1,0|1,0,1]=4 6892 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [1,0,0,0,1,0|1,0,1]=4 6893 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,0,0,0,1,0|2,0,0]=4 6894 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [1,0,0,0,1,0|2,0,0]=4 6895 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,0,0,0,1,0|2,0,0]=4 6896 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,0,0,0,1,0|2,0,0]=4 6897 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,0,0,0,1,0|2,0,0]=4 6898 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [1,0,0,0,1,0|2,0,0]=4 6899 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [1,0,0,0,1,0|2,0,0]=4 6900 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [1,0,0,0,1,0|2,0,0]=4 6901 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,0,0,0,1,0|2,0,0]=4 6902 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,0,0,0,1,0|2,0,0]=4 6903 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,0,0,0,1,0|2,0,0]=4 6904 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,0,0,0,1,0|2,0,0]=4 6905 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [1,0,0,0,1,0|2,0,0]=4 6906 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [1,0,0,0,1,0|2,0,0]=4 6907 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,0,0,0,1,0|2,0,0]=4 6908 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,0,0,0,1,0|2,0,0]=4 6909 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,0,0,0,1,0|2,0,0]=4 6910 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [1,0,0,0,1,0|2,0,0]=4 6911 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,0,0,2,0|2,0,0]=4 6912 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,0,0,2,0|2,0,0]=4 6913 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,0,0,2,0|2,0,0]=4 6914 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,0,0,0,2,0|2,0,0]=4 6915 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,2,0|1,0,0]=3 6916 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,0,0,2,0|1,0,0]=3 6917 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,0,0,2,0|1,0,0]=3 6918 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,0,0,2,0|0,0,1]=3 6919 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,0,0,2,0|1,0,1]=4 6920 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,0,0,2,0|1,0,1]=4 6921 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,0,0,0,2,0|1,0,1]=4 6922 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,0,0,0,2,0|2,0,0]=4 6923 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,0,0,2,0|2,0,0]=4 6924 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,0,0,2,0|2,0,0]=4 6925 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,0,0,2,0|2,0,0]=4 6926 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,0,0,0,2,0|2,0,0]=4 6927 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,0,0,0,2,0|2,0,0]=4 6928 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,0,0,2,0|2,0,0]=4 6929 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,0,0,2,0|2,0,0]=4 6930 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,0,0,2,0|2,0,0]=4 6931 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,0,0,0,2,0|2,0,0]=4 6932 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,0,0,0,2,0|1,0,1]=4 6933 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,0,0,0,2,0|2,0,0]=4 6934 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,0,0,0,2,0|1,0,1]=4 6935 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,0,0,0,2,0|2,0,0]=4 6936 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,0,0,0,2,0|2,0,0]=4 6937 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,0,0,0,2,0|2,0,0]=4 6938 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,0,0,0,2,0|1,0,1]=4 6939 B12R0.277 C=C(Br)CCOCOC(=O)CCC 34a_100009813270_100000034017 [0,0,0,0,0,2|2,0,0]=4 6940 B12R0.277 C=C(C)CCOCOC(=O)CCC 34a_100000764851_100000034017 [0,0,0,0,0,2|2,0,0]=4 6941 B12R0.277 C=C(C)CCSCOC(=O)CCC 62a_100000730704_100000034017 [0,0,0,0,0,2|2,0,0]=4 6942 B12R0.277 CC(=O)NCCCNC(=O)CCO 240690a_100000736810_100011216618 [0,0,0,0,0,2|2,0,0]=4 6943 B12R0.277 CC(=O)OCCCCC(=O)CCO 1458a_100011216618_100000033659 [0,0,0,0,0,2|2,0,0]=4 6944 B12R0.277 CC(=O)SCCCCC(=O)CCO 1458a_100011216618_200010402107 [0,0,0,0,0,2|2,0,0]=4 6945 B12R0.277 CCCC(=O)CCCCCB(O)O 1458a_100000211992_200009817188 [0,0,0,0,0,2|1,0,1]=4 6946 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,0,0,0,0,2|1,0,0]=3 6947 B12R0.277 CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210303 [0,0,0,0,0,2|1,0,1]=4 6948 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,0,0,0,0,2|1,0,0]=3 6949 B12R0.277 CCCC(=O)CCCCO[N+](=O)[O-] 1458a_100000211992_100015694321 [0,0,0,0,0,2|1,0,1]=4 6950 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,0,0,0,0,2|1,0,0]=3 6951 B12R0.277 CCCC(=O)CNCCCS(=O)C 2230a_200000753449_100000747444 [0,0,0,0,0,2|2,0,0]=4 6952 B12R0.277 CCCC(=O)CNCCNC(=O)C 2230a_100000209853_100000747444 [0,0,0,0,0,2|1,0,0]=3 6953 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,0,0,0,0,2|1,0,0]=3 6954 B12R0.277 CCCC(=O)COCCOC(=O)N 7a_100000766696_100000747444 [0,0,0,0,0,2|1,0,0]=3 6955 B12R0.277 CCCC(=O)CSCCC=C(C)C 62a_100000747444_100011217483 [0,0,0,0,0,2|2,0,0]=4 6956 B12R0.277 CCCC(=O)CSCCC=C(C)C 62a_100011217483_100000747444 [0,0,0,0,0,2|2,0,0]=4 6957 B12R0.277 CCCC(=O)CSCCC=C(F)F 62a_100000747444_200009816681 [0,0,0,0,0,2|2,0,0]=4 6958 B12R0.277 CCCC(=O)CSCCC=C(F)F 62a_200009816681_100000747444 [0,0,0,0,0,2|2,0,0]=4 6959 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,0,0,0,0,2|1,0,0]=3 6960 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,0,0,0,0,2|1,0,0]=3 6961 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100000747444_100102525003 [0,0,0,0,0,2|1,0,0]=3 6962 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100102525003_100000747444 [0,0,0,0,0,2|1,0,0]=3 6963 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,0,0,0,0,2|1,0,1]=4 6964 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,0,0,0,0,2|1,0,1]=4 6965 B12R0.277 CCCC(=O)CSCCNC(=O)C 62a_100000189650_100000747444 [0,0,0,0,0,2|1,0,0]=3 6966 B12R0.277 CCCC(=O)CSCCNC(=O)C 62a_100000747444_100000189650 [0,0,0,0,0,2|1,0,0]=3 6967 B12R0.277 CCCC(=O)CSCCNC(=O)N 62a_100000747444_200000034859 [0,0,0,0,0,2|1,0,0]=3 6968 B12R0.277 CCCC(=O)CSCCNC(=O)N 62a_200000034859_100000747444 [0,0,0,0,0,2|1,0,0]=3 6969 B12R0.277 CCCC(=O)CSCCOC(=O)C 62a_100000747444_100009814007 [0,0,0,0,0,2|1,0,0]=3 6970 B12R0.277 CCCC(=O)CSCCOC(=O)C 62a_100009814007_100000747444 [0,0,0,0,0,2|1,0,0]=3 6971 B12R0.277 CCCC(=O)CSCCOC(=O)N 62a_100000747444_200011214921 [0,0,0,0,0,2|1,0,0]=3 6972 B12R0.277 CCCC(=O)CSCCOC(=O)N 62a_200011214921_100000747444 [0,0,0,0,0,2|1,0,0]=3 6973 B12R0.277 CCCC(=O)NCCCCC(=O)N 11a_100000696515_100000211992 [0,0,0,0,0,2|1,0,0]=3 6974 B12R0.277 CCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000211992 [0,0,0,0,0,2|1,0,0]=3 6975 B12R0.277 CCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000211992 [0,0,0,0,0,2|1,0,0]=3 6976 B12R0.277 CCCC(=O)NCCCCC(=O)N 527a_100000696515_100000211992 [0,0,0,0,0,2|1,0,0]=3 6977 B12R0.277 CCCC(=O)NCCCNC(=O)C 11a_100000736810_100000211992 [0,0,0,0,0,2|1,0,0]=3 6978 B12R0.277 CCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000211992 [0,0,0,0,0,2|1,0,0]=3 6979 B12R0.277 CCCC(=O)NCCCNC(=O)C 527a_100000736810_100000211992 [0,0,0,0,0,2|1,0,0]=3 6980 B12R0.277 CCCC(=O)OCNCCC(C)O 2230a_200000755665_100000034017 [0,0,0,0,0,2|1,0,1]=4 6981 B12R0.277 CCCC(=O)OCNOCC(=O)O 269956a_100000106656_100000034017 [0,0,0,0,0,2|1,0,0]=3 6982 B12R0.277 CCCC(=O)OCOCCC(=O)C 34a_100000759926_100000034017 [0,0,0,0,0,2|1,0,0]=3 6983 B12R0.277 CCCC(=O)OCOCCC(=O)N 34a_100000757172_100000034017 [0,0,0,0,0,2|1,0,0]=3 6984 B12R0.277 CCCC(=O)OCSCCC(=O)C 62a_100000053229_100000034017 [0,0,0,0,0,2|1,0,0]=3 6985 B12R0.277 CCCC(=O)OCSCCC(=O)N 62a_100000744528_100000034017 [0,0,0,0,0,2|1,0,0]=3 6986 B12R0.277 CCCC(=O)OCSCCC(C)O 62a_100012276601_100000034017 [0,0,0,0,0,2|1,0,1]=4 6987 B12R0.277 CCCC(=O)OCSCOC(=O)C 62a_100000076356_100000034017 [0,0,0,0,0,2|2,0,0]=4 6988 B12R0.277 CCCC(C)NCCOCC(=O)O 269956a_100000700818_100000766640 [0,0,0,0,0,2|1,0,1]=4 6989 B12R0.277 CCNC(=O)CCNCCC(=O)N 34a_100025743525_100000731001 [0,0,0,0,0,2|2,0,0]=4 6990 B12R0.277 CCNC(=O)CCNCOC(=O)C 34a_100025743525_100009813279 [0,0,0,0,0,2|2,0,0]=4 6991 B12R0.277 CCNC(=O)CCNOCC(=O)O 269956a_100000106656_100000737597 [0,0,0,0,0,2|1,0,0]=3 6992 B12R0.277 CCNC(=O)CCOCCC(=O)C 7a_100000759926_100000737597 [0,0,0,0,0,2|2,0,0]=4 6993 B12R0.277 CCNC(=O)CCOCCC(=O)N 7a_100000757172_100000737597 [0,0,0,0,0,2|2,0,0]=4 6994 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000053229_100000737597 [0,0,0,0,0,2|2,0,0]=4 6995 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000737597_100000053229 [0,0,0,0,0,2|2,0,0]=4 6996 B12R0.277 CCNC(=O)CCSCCC(=O)N 62a_100000737597_100000744528 [0,0,0,0,0,2|2,0,0]=4 6997 B12R0.277 CCNC(=O)CCSCCC(=O)N 62a_100000744528_100000737597 [0,0,0,0,0,2|2,0,0]=4 6998 B12R0.277 CCNC(=O)CCSCOC(=O)C 62a_100000076356_100000737597 [0,0,0,0,0,2|2,0,0]=4 6999 B12R0.277 CCNC(=O)CCSCOC(=O)C 62a_100000737597_100000076356 [0,0,0,0,0,2|2,0,0]=4 7000 B12R0.277 CCNC(=O)CNCCCC(=O)N 34a_100000739312_100000183381 [0,0,0,0,0,2|2,0,0]=4 7001 B12R0.277 CCNC(=O)CNCCNC(=O)C 2230a_100000209853_100000183381 [0,0,0,0,0,2|2,0,0]=4 7002 B12R0.277 CCNC(=O)CNCCNC(=O)C 2230a_100016988866_100000189650 [0,0,0,0,0,2|2,0,0]=4 7003 B12R0.277 CCNC(=O)CNCCNC(=O)N 2230a_100016988866_200000034859 [0,0,0,0,0,2|2,0,0]=4 7004 B12R0.277 CCNC(=O)CNCCNC(=O)N 34a_100020590234_100000183381 [0,0,0,0,0,2|2,0,0]=4 7005 B12R0.277 CCNC(=O)COCCCC(=O)C 34a_100000759063_100000183381 [0,0,0,0,0,2|2,0,0]=4 7006 B12R0.277 CCNC(=O)COCCCC(=O)C 7a_100000759063_100000183381 [0,0,0,0,0,2|2,0,0]=4 7007 B12R0.277 CCNC(=O)COCCNC(=O)C 34a_100000158858_100000183381 [0,0,0,0,0,2|2,0,0]=4 7008 B12R0.277 CCNC(=O)COCCNC(=O)N 34a_100000181757_100000183381 [0,0,0,0,0,2|2,0,0]=4 7009 B12R0.277 CCNC(=O)COCCOC(=O)N 7a_100000766696_100000183381 [0,0,0,0,0,2|2,0,0]=4 7010 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100000183381_100011215641 [0,0,0,0,0,2|2,0,0]=4 7011 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100011215641_100000183381 [0,0,0,0,0,2|2,0,0]=4 7012 B12R0.277 CCNC(=O)CSCCCC(=O)N 62a_100000183381_100102525003 [0,0,0,0,0,2|2,0,0]=4 7013 B12R0.277 CCNC(=O)CSCCCC(=O)N 62a_100102525003_100000183381 [0,0,0,0,0,2|2,0,0]=4 7014 B12R0.277 CCNC(=O)CSCCNC(=O)C 62a_100000183381_100000189650 [0,0,0,0,0,2|2,0,0]=4 7015 B12R0.277 CCNC(=O)CSCCNC(=O)C 62a_100000189650_100000183381 [0,0,0,0,0,2|2,0,0]=4 7016 B12R0.277 CCNC(=O)CSCCNC(=O)N 62a_100000183381_200000034859 [0,0,0,0,0,2|2,0,0]=4 7017 B12R0.277 CCNC(=O)CSCCNC(=O)N 62a_200000034859_100000183381 [0,0,0,0,0,2|2,0,0]=4 7018 B12R0.277 CCNC(=O)CSCCOC(=O)C 62a_100000183381_100009814007 [0,0,0,0,0,2|2,0,0]=4 7019 B12R0.277 CCNC(=O)CSCCOC(=O)C 62a_100009814007_100000183381 [0,0,0,0,0,2|2,0,0]=4 7020 B12R0.277 CCNC(=O)CSCCOC(=O)N 62a_100000183381_200011214921 [0,0,0,0,0,2|2,0,0]=4 7021 B12R0.277 CCNC(=O)CSCCOC(=O)N 62a_200011214921_100000183381 [0,0,0,0,0,2|2,0,0]=4 7022 B12R0.277 CCNC(=O)NCCCCC(=O)N 273464a_100000696515_100015525214 [0,0,0,0,0,2|2,0,0]=4 7023 B12R0.277 CCNC(=O)NCCCCC(=O)N 273464a_100015525214_100000696515 [0,0,0,0,0,2|2,0,0]=4 7024 B12R0.277 CCNC(=O)NCCCCC(=O)N 512a_100000696515_100015525214 [0,0,0,0,0,2|2,0,0]=4 7025 B12R0.277 CCNC(=O)NCCCCC(=O)N 512a_100015525214_100000696515 [0,0,0,0,0,2|2,0,0]=4 7026 B12R0.277 CCNC(=O)NCCCNC(=O)C 2708a_100000736810_100015525214 [0,0,0,0,0,2|2,0,0]=4 7027 B12R0.277 CCNC(=O)NCCCNC(=O)C 2708a_100015525214_100000736810 [0,0,0,0,0,2|2,0,0]=4 7028 B12R0.277 CCNC(=O)NCCCNC(=O)C 273464a_100000736810_100015525214 [0,0,0,0,0,2|2,0,0]=4 7029 B12R0.277 CCNC(=O)NCCCNC(=O)C 273464a_100015525214_100000736810 [0,0,0,0,0,2|2,0,0]=4 7030 B12R0.277 CCNC(=O)NCCCNC(=O)C 512a_100000736810_100015525214 [0,0,0,0,0,2|2,0,0]=4 7031 B12R0.277 CCNC(=O)NCCCNC(=O)C 512a_100015525214_100000736810 [0,0,0,0,0,2|2,0,0]=4 7032 B12R0.277 CCOC(=O)/C=C/CNCC(=O)O 269956a_100016091260_100016267167 [0,0,0,0,0,2|1,0,1]=4 7033 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,0,0,0,0,2|2,0,0]=4 7034 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,0,0,0,0,2|2,0,0]=4 7035 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,0,0,0,0,2|2,0,0]=4 7036 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [0,0,0,0,0,2|2,0,0]=4 7037 B12R0.277 CCOC(=O)CCCNCC(=O)N 2230a_100000711301_100009991533 [0,0,0,0,0,2|2,0,0]=4 7038 B12R0.277 CCOC(=O)CCCNCC(=O)O 269956a_100016091260_100009991533 [0,0,0,0,0,2|1,0,0]=3 7039 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [0,0,0,0,0,2|2,0,0]=4 7040 B12R0.277 CCOC(=O)CCCOCC(=O)N 7a_100012001163_100000187820 [0,0,0,0,0,2|2,0,0]=4 7041 B12R0.277 CCOC(=O)CCCSCC(=O)N 62a_100000747473_100009991533 [0,0,0,0,0,2|2,0,0]=4 7042 B12R0.277 CCOC(=O)CCCSCC(=O)N 62a_100009991533_100000747473 [0,0,0,0,0,2|2,0,0]=4 7043 B12R0.277 CCOC(=O)CCCSCC(=O)[O-] 62a_100009991533_100020667443 [0,0,0,0,0,2|1,0,1]=4 7044 B12R0.277 CCOC(=O)CCCSCC(=O)[O-] 62a_100020667443_100009991533 [0,0,0,0,0,2|1,0,1]=4 7045 B12R0.277 CCOC(=O)CCNOCC(=O)O 269956a_100000106656_100000765890 [0,0,0,0,0,2|1,0,0]=3 7046 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [0,0,0,0,0,2|2,0,0]=4 7047 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [0,0,0,0,0,2|2,0,0]=4 7048 B12R0.277 CCOC(=O)CCOCCC(=O)N 34a_100000757172_100000765890 [0,0,0,0,0,2|2,0,0]=4 7049 B12R0.277 CCOC(=O)CCOCCC(=O)N 7a_100000757172_100011206558 [0,0,0,0,0,2|2,0,0]=4 7050 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [0,0,0,0,0,2|2,0,0]=4 7051 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [0,0,0,0,0,2|2,0,0]=4 7052 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000744528_100000765890 [0,0,0,0,0,2|2,0,0]=4 7053 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000765890_100000744528 [0,0,0,0,0,2|2,0,0]=4 7054 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000076356_100000765890 [0,0,0,0,0,2|2,0,0]=4 7055 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000765890_100000076356 [0,0,0,0,0,2|2,0,0]=4 7056 B12R0.277 CCOC(=O)CNCCCC(=O)N 34a_100000739312_100000188475 [0,0,0,0,0,2|2,0,0]=4 7057 B12R0.277 CCOC(=O)CNCCNC(=O)C 2230a_100000209853_100000188475 [0,0,0,0,0,2|2,0,0]=4 7058 B12R0.277 CCOC(=O)CNCCNC(=O)N 34a_100020590234_100000188475 [0,0,0,0,0,2|2,0,0]=4 7059 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [0,0,0,0,0,2|2,0,0]=4 7060 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [0,0,0,0,0,2|2,0,0]=4 7061 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [0,0,0,0,0,2|2,0,0]=4 7062 B12R0.277 CCOC(=O)COCCNC(=O)C 34a_100000158858_100000188475 [0,0,0,0,0,2|2,0,0]=4 7063 B12R0.277 CCOC(=O)COCCNC(=O)N 34a_100000181757_100000188475 [0,0,0,0,0,2|2,0,0]=4 7064 B12R0.277 CCOC(=O)COCCOC(=O)N 7a_100000766696_100000188475 [0,0,0,0,0,2|2,0,0]=4 7065 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [0,0,0,0,0,2|2,0,0]=4 7066 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [0,0,0,0,0,2|2,0,0]=4 7067 B12R0.277 CCOC(=O)CSCCCC(=O)N 62a_100000188475_100102525003 [0,0,0,0,0,2|2,0,0]=4 7068 B12R0.277 CCOC(=O)CSCCCC(=O)N 62a_100102525003_100000188475 [0,0,0,0,0,2|2,0,0]=4 7069 B12R0.277 CCOC(=O)CSCCNC(=O)C 62a_100000188475_100000189650 [0,0,0,0,0,2|2,0,0]=4 7070 B12R0.277 CCOC(=O)CSCCNC(=O)C 62a_100000189650_100000188475 [0,0,0,0,0,2|2,0,0]=4 7071 B12R0.277 CCOC(=O)CSCCNC(=O)N 62a_100000188475_200000034859 [0,0,0,0,0,2|2,0,0]=4 7072 B12R0.277 CCOC(=O)CSCCNC(=O)N 62a_200000034859_100000188475 [0,0,0,0,0,2|2,0,0]=4 7073 B12R0.277 CCOC(=O)CSCCOC(=O)C 62a_100000188475_100009814007 [0,0,0,0,0,2|2,0,0]=4 7074 B12R0.277 CCOC(=O)CSCCOC(=O)C 62a_100009814007_100000188475 [0,0,0,0,0,2|2,0,0]=4 7075 B12R0.277 CCOC(=O)CSCCOC(=O)N 62a_100000188475_200011214921 [0,0,0,0,0,2|2,0,0]=4 7076 B12R0.277 CCOC(=O)CSCCOC(=O)N 62a_200011214921_100000188475 [0,0,0,0,0,2|2,0,0]=4 7077 B12R0.277 CCOC(=O)NCCNCC(=O)O 269956a_100016091260_200011445536 [0,0,0,0,0,2|1,0,0]=3 7078 B12R0.277 CCOC(=O)NCCOCC(=O)N 34a_100000158857_100000187820 [0,0,0,0,0,2|2,0,0]=4 7079 B12R0.277 CCOC(=O)NCCOCC(=O)[O-] 34a_100000158857_100020667443 [0,0,0,0,0,2|1,0,1]=4 7080 B12R0.277 CCOC(=O)NCCSCC(=O)N 62a_100000747473_200011445536 [0,0,0,0,0,2|2,0,0]=4 7081 B12R0.277 CCOC(=O)NCCSCC(=O)[O-] 62a_100020667443_200011445536 [0,0,0,0,0,2|1,0,1]=4 7082 B12R0.277 CCOC(=O)OCSCCC(=O)C 62a_100000053229_100000075025 [0,0,0,0,0,2|2,0,0]=4 7083 B12R0.277 CCOC(=O)OCSCCC(=O)N 62a_100000744528_100000075025 [0,0,0,0,0,2|2,0,0]=4 7084 B12R0.277 COCC(=O)CCCCCC(=O)N 1458a_100000210968_100009817443 [0,0,0,0,0,2|2,0,0]=4 7085 B12R0.277 COCC(=O)CCCCOC(=O)C 1458a_100000210968_100000033659 [0,0,0,0,0,2|2,0,0]=4 7086 B12R0.277 COCC(=O)CCCCSC(=O)C 1458a_100000210968_200010402107 [0,0,0,0,0,2|2,0,0]=4 7087 B12R0.277 COCC(=O)NCCCCC(=O)N 11a_100000696515_100000210968 [0,0,0,0,0,2|2,0,0]=4 7088 B12R0.277 COCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210968 [0,0,0,0,0,2|2,0,0]=4 7089 B12R0.277 COCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210968 [0,0,0,0,0,2|2,0,0]=4 7090 B12R0.277 COCC(=O)NCCCCC(=O)N 527a_100000696515_100000210968 [0,0,0,0,0,2|2,0,0]=4 7091 B12R0.277 COCC(=O)NCCCNC(=O)C 11a_100000736810_100000210968 [0,0,0,0,0,2|2,0,0]=4 7092 B12R0.277 COCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210968 [0,0,0,0,0,2|2,0,0]=4 7093 B12R0.277 COCC(=O)NCCCNC(=O)C 527a_100000736810_100000210968 [0,0,0,0,0,2|2,0,0]=4 7094 B12R0.277 CSCC(=O)CCCCCC(=O)N 1458a_100000184570_100009817443 [0,0,0,0,0,2|2,0,0]=4 7095 B12R0.277 CSCC(=O)CCCCOC(=O)C 1458a_100000184570_100000033659 [0,0,0,0,0,2|2,0,0]=4 7096 B12R0.277 CSCC(=O)CCCCSC(=O)C 1458a_100000184570_200010402107 [0,0,0,0,0,2|2,0,0]=4 7097 B12R0.277 CSCC(=O)NCCCCC(=O)N 11a_100000696515_100000184570 [0,0,0,0,0,2|2,0,0]=4 7098 B12R0.277 CSCC(=O)NCCCCC(=O)N 1626a_100000696515_100000184570 [0,0,0,0,0,2|2,0,0]=4 7099 B12R0.277 CSCC(=O)NCCCCC(=O)N 240690a_100000696515_100000184570 [0,0,0,0,0,2|2,0,0]=4 7100 B12R0.277 CSCC(=O)NCCCCC(=O)N 527a_100000696515_100000184570 [0,0,0,0,0,2|2,0,0]=4 7101 B12R0.277 CSCC(=O)NCCCNC(=O)C 11a_100000736810_100000184570 [0,0,0,0,0,2|2,0,0]=4 7102 B12R0.277 CSCC(=O)NCCCNC(=O)C 240690a_100000736810_100000184570 [0,0,0,0,0,2|2,0,0]=4 7103 B12R0.277 CSCC(=O)NCCCNC(=O)C 527a_100000736810_100000184570 [0,0,0,0,0,2|2,0,0]=4 7104 B12R0.277 NC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009817443 [0,0,0,0,0,2|2,0,0]=4 7105 B12R0.277 NC(=O)CCCCNC(=O)CCO 240690a_100000696515_100011216618 [0,0,0,0,0,2|2,0,0]=4