0 B9R0.7 C=C(Br)C(=O)NCC(=O)N 11a_100000711301_100009813364 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.7 C=C(C)C(=O)NCC(=O)C 1458a_100000076187_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.7 C=C(C)C(=O)NCC(=O)N 11a_100000711301_100000185857 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.7 C=C(C)C(=O)NCC(=O)[13CH3] 1458a_100000076187_200025704644 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.7 C=C(C)CCC(=O)C(O)O 1458a_100000233687_100000730704 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.7 C=C(C)CNC(=O)C(=O)N 240690a_100000765925_100011215815 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.7 C=C(Cl)C(=O)NCC(=O)N 11a_100000711301_100000039160 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.7 C=C(F)C(=O)NCC(=O)N 11a_100000711301_100000036797 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.7 CC(=O)CCC(=C(F)F)F 1458a_100000070787_100009813398 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.7 CC(=O)CCC(=C(F)F)F 1458a_200000036841_200000210301 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000189765_100011215815 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000211141_100000070787 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,0,0,0,0,0|1,0,3]=4 25 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N 240690a_100000711301_100000717761 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.7 C[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_217856618621 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.7 NC(=O)CNC(=O)C(=O)N 240690a_100000711301_100011215815 [0,0,0,0,0,0|3,0,0]=3 36 B9R0.7 NC(=O)CNC(=O)C(O)O 240690a_100000711301_100000233687 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.7 [13CH3]C(=O)CCC(=C(F)F)F 1458a_200000036841_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [1,0,0,0,0,0|0,0,3]=4 49 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [1,0,0,0,0,0|3,0,0]=4 51 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,0,0,0,0,0|1,0,2]=4 56 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,0,0,0,0,0|3,0,0]=4 63 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,0,0,0,0,0|3,0,0]=4 73 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,0|3,0,0]=4 75 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,0,0,0,0,0|3,0,0]=4 78 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,0|3,0,0]=4 81 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,0,0|1,0,2]=4 84 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,0,0,0,0,0|3,0,0]=4 85 B10R0.57 C=C(C)CCC(=O)C(=O)NC 1458a_100011218921_100000730704 [0,1,0,0,0,0|3,0,0]=4 86 B10R0.57 C=C(C)CNC(=O)C(=O)OC 11a_100000765925_100000024059 [0,1,0,0,0,0|3,0,0]=4 87 B10R0.57 C=C(C)CNC(=O)C(=O)OC 1626a_100000765925_100000024059 [0,1,0,0,0,0|3,0,0]=4 88 B10R0.57 C=C(C)CNC(=O)C(=O)OC 240690a_100000765925_100000024059 [0,1,0,0,0,0|3,0,0]=4 89 B10R0.57 C=C(C)CNC(=O)C(=O)OC 527a_100000765925_100000024059 [0,1,0,0,0,0|3,0,0]=4 90 B10R0.57 CN(CCC(=O)N)C(=O)CO 240690a_100000730477_100000210174 [0,1,0,0,0,0|3,0,0]=4 91 B10R0.57 CN(CCC(=O)N)C(=O)CO 527a_100000730477_100000210174 [0,1,0,0,0,0|3,0,0]=4 92 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,1,0,0,0,0|2,0,1]=4 93 B10R0.57 CNC(=O)C(=O)NCC(=O)N 240690a_100000711301_100011218921 [0,1,0,0,0,0|3,0,0]=4 94 B10R0.57 CNC(=O)C(=O)NCC(=O)N 527a_100000711301_100011218921 [0,1,0,0,0,0|3,0,0]=4 95 B10R0.57 COC(=O)C(=O)NCC(=O)N 11a_100000711301_100000024059 [0,1,0,0,0,0|2,0,0]=3 96 B10R0.57 COC(=O)C(=O)NCC(=O)N 240690a_100000711301_100000024059 [0,1,0,0,0,0|2,0,0]=3 97 B10R0.57 COC(=O)C(=O)NCC(=O)N 527a_100000711301_100000024059 [0,1,0,0,0,0|2,0,0]=3 98 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,1,0,0,0,0|2,0,1]=4 99 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,1,0,0,0,0|2,0,1]=4 100 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,1,0,0,0,0|2,0,1]=4 101 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,1,0,0,0,0|2,0,1]=4 102 B10R0.82 C=C(C)C(=O)NCC(=O)OC 188690a_100000185156_100000185857 [0,1,0,0,0,0|3,0,0]=4 103 B10R0.82 CNC(=O)CNC(=O)C(=O)N 240690a_100000693194_100011215815 [0,1,0,0,0,0|3,0,0]=4 104 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,1,0,0,0,0|2,0,1]=4 105 B10R0.82 COC(=O)CCC(=O)N(C)C 11a_100102631434_100000187943 [0,1,0,0,0,0|3,0,0]=4 106 B10R0.82 COC(=O)CCC(=O)N(C)C 1626a_100102631434_100000187943 [0,1,0,0,0,0|3,0,0]=4 107 B10R0.82 COC(=O)CCC(=O)N(C)C 240690a_100102631434_100000187943 [0,1,0,0,0,0|3,0,0]=4 108 B10R0.82 COC(=O)CCC(=O)N(C)C 527a_100102631434_100000187943 [0,1,0,0,0,0|3,0,0]=4 109 B10R0.82 COC(=O)CCN(C)C(=O)C 11a_100025711912_100015343762 [0,1,0,0,0,0|3,0,0]=4 110 B10R0.82 COC(=O)CCN(C)C(=O)C 1626a_100025711912_100015343762 [0,1,0,0,0,0|3,0,0]=4 111 B10R0.82 COC(=O)CCN(C)C(=O)C 240690a_100025711912_100015343762 [0,1,0,0,0,0|3,0,0]=4 112 B10R0.82 COC(=O)CCN(C)C(=O)C 527a_100025711912_100103153847 [0,1,0,0,0,0|3,0,0]=4 113 B10R0.82 COC(=O)CNC(=O)C(O)O 188690a_100000185156_100000233687 [0,1,0,0,0,0|1,0,2]=4 114 B10R0.82 COC(=O)CNC(=O)[C@@H](C)O 188690a_100000185156_100000717761 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.82 COC(=O)CNC(=O)[C@H](C)O 188690a_100000185156_217856618621 [0,1,0,0,0,0|2,0,1]=4 116 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,0|2,0,1]=4 117 B10R0.82 NC(=O)C(=O)NNC(=O)CO 22a_100000211141_100000210174 [0,1,0,0,0,0|3,0,0]=4 118 B10R0.82 O=C(CO)CCC(=C(F)F)F 1458a_100000210174_100009813398 [0,1,0,0,0,0|3,0,0]=4 119 B10R0.93 C[C@@H](NC(=O)C(=O)N)C(=O)N 240690a_100000119354_100011215815 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,0,0,1,0,0|3,0,0]=4 121 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,0,0,1,0,0|3,0,0]=4 122 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,0,0,0,1,0|3,0,0]=4 123 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,0,0,0,1,0|2,0,1]=4 124 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,0,0,1,0|2,0,0]=3 125 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,0,0,0,1,0|2,0,1]=4 126 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,0,0,0,1,0|1,0,2]=4 127 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,0,0,0,1,0|2,0,1]=4 128 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,0,0,0,1,0|1,0,2]=4 129 B8R0.23 NC(=O)CC(=O)C(O)O 1458a_100000233687_100000187820 [0,0,0,0,1,0|1,0,2]=4 130 B8R0.23 O=C([O-])CC(=O)C(O)O 1458a_100000233687_100020667443 [0,0,0,0,1,0|0,0,3]=4 131 B10R0.96 C=C(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748629 [0,0,0,0,0,1|3,0,0]=4 132 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_100134613110_100000730704 [0,0,0,0,0,1|3,0,0]=4 133 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_200000688413_100000187820 [0,0,0,0,0,1|3,0,0]=4 134 B10R0.96 C=C(C)CCC(=O)CC(=O)[O-] 1458a_200000688413_100020667443 [0,0,0,0,0,1|2,0,1]=4 135 B10R0.96 C=C(F)CC(=O)CCC(=O)N 1458a_100011215257_100009893438 [0,0,0,0,0,1|3,0,0]=4 136 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,0,1|3,0,0]=4 137 B10R0.96 CC(=O)NCC(=O)CC(=O)N 1458a_100000194580_100000187820 [0,0,0,0,0,1|3,0,0]=4 138 B10R0.96 CC(=O)NCC(=O)CC(=O)[O-] 1458a_100000194580_100020667443 [0,0,0,0,0,1|2,0,1]=4 139 B10R0.96 CC(=O)OCC(=O)CC(=O)N 1458a_100000183556_100000187820 [0,0,0,0,0,1|3,0,0]=4 140 B10R0.96 CC(=O)OCC(=O)CC(=O)[O-] 1458a_100000183556_100020667443 [0,0,0,0,0,1|2,0,1]=4 141 B10R0.96 CC(=O)SCC(=O)CC(=O)N 1458a_100000049016_100000187820 [0,0,0,0,0,1|3,0,0]=4 142 B10R0.96 CC(=O)SCC(=O)CC(=O)[O-] 1458a_100000049016_100020667443 [0,0,0,0,0,1|2,0,1]=4 143 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,0,0,0,0,1|2,0,1]=4 144 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,0,0,0,0,1|2,0,1]=4 145 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,0,0,0,0,1|3,0,0]=4 146 B10R0.96 NC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000187820 [0,0,0,0,0,1|2,0,1]=4 147 B10R0.96 NC(=O)CC(=O)CNC(=O)N 1458a_100000184981_100000187820 [0,0,0,0,0,1|3,0,0]=4 148 B10R0.96 NC(=O)CCC(=O)CC(=O)N 1458a_100011215257_100000187820 [0,0,0,0,0,1|2,0,0]=3 149 B10R0.96 NC(=O)CCC(=O)CC(=O)[O-] 1458a_100011215257_100020667443 [0,0,0,0,0,1|1,0,1]=3 150 B10R0.96 NC(=O)CCC(=O)C[N+](=O)[O-] 1458a_100011215257_100000761209 [0,0,0,0,0,1|2,0,1]=4 151 B10R0.96 NC(=O)CNC(=O)CC(=O)N 240690a_100000711301_100134613110 [0,0,0,0,0,1|3,0,0]=4 152 B10R0.96 NC(=O)CNC(=O)CC(=O)N 527a_100000711301_100134613110 [0,0,0,0,0,1|3,0,0]=4 153 B10R0.96 NC(=O)NCC(=O)CC(=O)[O-] 1458a_100000184981_100020667443 [0,0,0,0,0,1|2,0,1]=4 154 B10R0.96 O=C([O-])CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100020667443 [0,0,0,0,0,1|1,0,2]=4 155 B10R0.98 C=C(Br)C(=O)NCCC(=O)N 11a_100000740010_100009813364 [0,0,0,0,0,1|3,0,0]=4 156 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,0,0,0,0,1|3,0,0]=4 157 B10R0.98 C=C(C)C(=O)CCCC(=O)N 1458a_100000185857_100102525003 [0,0,0,0,0,1|3,0,0]=4 158 B10R0.98 C=C(C)C(=O)CCNC(=O)C 1458a_100000185857_100000189650 [0,0,0,0,0,1|3,0,0]=4 159 B10R0.98 C=C(C)C(=O)CCNC(=O)N 1458a_100000185857_200000034859 [0,0,0,0,0,1|3,0,0]=4 160 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,0,0,0,0,1|3,0,0]=4 161 B10R0.98 C=C(C)C(=O)CCOC(=O)N 1458a_100000185857_200011214921 [0,0,0,0,0,1|3,0,0]=4 162 B10R0.98 C=C(C)C(=O)NCCC(=O)N 11a_100000740010_100000185857 [0,0,0,0,0,1|3,0,0]=4 163 B10R0.98 C=C(C)C(=O)OCCC(=O)C 1458a_100000070787_100009816335 [0,0,0,0,0,1|3,0,0]=4 164 B10R0.98 C=C(C)COCC(=O)C(=O)C 34a_100000210245_100011261029 [0,0,0,0,0,1|3,0,0]=4 165 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100000748629_100011261029 [0,0,0,0,0,1|3,0,0]=4 166 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100011261029_100000211660 [0,0,0,0,0,1|3,0,0]=4 167 B10R0.98 C=C(Cl)C(=O)NCCC(=O)N 11a_100000740010_100000039160 [0,0,0,0,0,1|3,0,0]=4 168 B10R0.98 C=C(F)C(=O)NCCC(=O)N 11a_100000740010_100000036797 [0,0,0,0,0,1|3,0,0]=4 169 B10R0.98 C=C(F)COCC(=O)C(=O)C 34a_200010262243_100011261029 [0,0,0,0,0,1|3,0,0]=4 170 B10R0.98 C=C(F)CSCC(=O)C(=O)C 62a_100000042424_100011261029 [0,0,0,0,0,1|3,0,0]=4 171 B10R0.98 C=C(F)CSCC(=O)C(=O)C 62a_100011261029_100000042424 [0,0,0,0,0,1|3,0,0]=4 172 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [0,0,0,0,0,1|1,0,0]=2 173 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,0,0,0,0,1|2,0,1]=4 174 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011261029 [0,0,0,0,0,1|2,0,0]=3 175 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100011261029_100000747473 [0,0,0,0,0,1|2,0,0]=3 176 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100011261029_100020667443 [0,0,0,0,0,1|1,0,1]=3 177 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100020667443_100011261029 [0,0,0,0,0,1|1,0,1]=3 178 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,0,0,0,0,1|2,0,1]=4 179 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,0,0,0,0,1|2,0,1]=4 180 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,0,0,0,0,1|2,0,1]=4 181 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,0,0,0,0,1|2,0,1]=4 182 B10R0.98 CC(=O)C(=O)CSC[N+](=O)[O-] 62a_100011261029_100000761209 [0,0,0,0,0,1|2,0,1]=4 183 B10R0.98 CC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011215641 [0,0,0,0,0,1|1,0,2]=4 184 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,0,0,0,0,1|2,0,1]=4 185 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,0,0,0,0,1|2,0,1]=4 186 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,0,1|2,0,1]=4 187 B10R0.98 CC(=O)COCC(=O)C(=O)C 34a_100000211253_100011261029 [0,0,0,0,0,1|2,0,0]=3 188 B10R0.98 CC(=O)NCCC(=O)C(O)O 1458a_100000233687_100000189650 [0,0,0,0,0,1|1,0,2]=4 189 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [0,0,0,0,0,1|2,0,1]=4 190 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [0,0,0,0,0,1|2,0,1]=4 191 B10R0.98 CC(=O)OCCC(=O)C(O)O 1458a_100000233687_100009814007 [0,0,0,0,0,1|1,0,2]=4 192 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,0,0,0,0,1|2,0,1]=4 193 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,0,0,0,0,1|2,0,1]=4 194 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,0,0,0,0,1|2,0,1]=4 195 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,0,0,0,0,1|2,0,1]=4 196 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,0,0,0,0,1|1,0,2]=4 197 B10R0.98 CC(O)CCNC(=O)C(=O)N 240690a_200000755665_100011215815 [0,0,0,0,0,1|2,0,1]=4 198 B10R0.98 CN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000692301 [0,0,0,0,0,1|3,0,0]=4 199 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,0,0,0,0,1|2,0,1]=4 200 B10R0.98 C[C@@H](O)C(=O)CCNC(=O)N 1458a_100000717761_200000034859 [0,0,0,0,0,1|2,0,1]=4 201 B10R0.98 C[C@@H](O)C(=O)CCOC(=O)N 1458a_100000717761_200011214921 [0,0,0,0,0,1|2,0,1]=4 202 B10R0.98 C[C@@H](O)C(=O)NCCC(=O)N 240690a_100000740010_100000717761 [0,0,0,0,0,1|2,0,1]=4 203 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,0,0,0,0,1|2,0,1]=4 204 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,0,0,0,0,1|2,0,1]=4 205 B10R0.98 C[C@H](O)C(=O)CCNC(=O)N 1458a_217856618621_200000034859 [0,0,0,0,0,1|2,0,1]=4 206 B10R0.98 C[C@H](O)C(=O)CCOC(=O)N 1458a_217856618621_200011214921 [0,0,0,0,0,1|2,0,1]=4 207 B10R0.98 C[C@H](O)C(=O)NCCC(=O)N 240690a_100000740010_217856618621 [0,0,0,0,0,1|2,0,1]=4 208 B10R0.98 NC(=O)CCCC(=O)C(O)O 1458a_100000233687_100102525003 [0,0,0,0,0,1|1,0,2]=4 209 B10R0.98 NC(=O)CCNC(=O)C(=O)N 240690a_100000740010_100011215815 [0,0,0,0,0,1|2,0,0]=3 210 B10R0.98 NC(=O)CCNC(=O)C(O)O 240690a_100000740010_100000233687 [0,0,0,0,0,1|1,0,2]=4 211 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,0,0,0,0,1|2,0,1]=4 212 B10R0.98 NC(=O)NCCC(=O)C(O)O 1458a_100000233687_200000034859 [0,0,0,0,0,1|1,0,2]=4 213 B10R0.98 NC(=O)OCCC(=O)C(O)O 1458a_100000233687_200011214921 [0,0,0,0,0,1|1,0,2]=4 214 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,0,0,0,0,1|1,0,2]=4 215 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [2,0,0,0,0,0|1,0,1]=4 216 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [2,0,0,0,0,0|2,0,0]=4 217 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [2,0,0,0,0,0|1,0,1]=4 218 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|0,0,2]=4 219 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|1,0,1]=4 220 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [2,0,0,0,0,0|2,0,0]=4 221 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [2,0,0,0,0,0|1,0,1]=4 222 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [2,0,0,0,0,0|1,0,1]=4 223 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [2,0,0,0,0,0|0,0,2]=4 224 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [2,0,0,0,0,0|2,0,0]=4 225 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [2,0,0,0,0,0|2,0,0]=4 226 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [2,0,0,0,0,0|2,0,0]=4 227 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [2,0,0,0,0,0|1,0,1]=4 228 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [2,0,0,0,0,0|1,0,1]=4 229 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [1,1,0,0,0,0|2,0,0]=4 230 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [1,1,0,0,0,0|2,0,0]=4 231 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [1,1,0,0,0,0|2,0,0]=4 232 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [1,1,0,0,0,0|2,0,0]=4 233 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [1,1,0,0,0,0|1,0,1]=4 234 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [1,1,0,0,0,0|1,0,1]=4 235 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [1,1,0,0,0,0|1,0,1]=4 236 B9R0.47 C=CCCNC(=O)C(=O)N 240690a_100015191253_100011215815 [1,1,0,0,0,0|2,0,0]=4 237 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [1,1,0,0,0,0|2,0,0]=4 238 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [1,1,0,0,0,0|2,0,0]=4 239 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [1,1,0,0,0,0|2,0,0]=4 240 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [1,1,0,0,0,0|1,0,1]=4 241 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [1,1,0,0,0,0|1,0,0]=3 242 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [1,1,0,0,0,0|1,0,0]=3 243 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [1,1,0,0,0,0|1,0,1]=4 244 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [1,1,0,0,0,0|1,0,1]=4 245 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [1,1,0,0,0,0|1,0,1]=4 246 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [1,1,0,0,0,0|1,0,1]=4 247 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [1,1,0,0,0,0|1,0,1]=4 248 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [1,1,0,0,0,0|1,0,1]=4 249 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [1,1,0,0,0,0|2,0,0]=4 250 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [1,1,0,0,0,0|2,0,0]=4 251 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [1,1,0,0,0,0|2,0,0]=4 252 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [1,1,0,0,0,0|2,0,0]=4 253 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [1,1,0,0,0,0|1,0,1]=4 254 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [1,1,0,0,0,0|1,0,1]=4 255 B9R0.43 O=CC(C=O)NCC(=O)O 269956a_100016091260_100011218033 [1,1,0,0,0,0|1,0,1]=4 256 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [1,1,0,0,0,0|2,0,0]=4 257 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [1,1,0,0,0,0|1,0,1]=4 258 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [1,1,0,0,0,0|2,0,0]=4 259 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,1]=4 260 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [1,1,0,0,0,0|2,0,0]=4 261 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,1,0,0,0,0|2,0,0]=4 262 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|1,0,1]=4 263 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|1,0,1]=4 264 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|1,0,1]=4 265 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,1,0,0,0,0|2,0,0]=4 266 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,1,0,0,0,0|1,0,1]=4 267 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [1,1,0,0,0,0|1,0,1]=4 268 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [1,1,0,0,0,0|2,0,0]=4 269 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [1,1,0,0,0,0|2,0,0]=4 270 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [1,1,0,0,0,0|2,0,0]=4 271 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [1,1,0,0,0,0|2,0,0]=4 272 B9R0.1 O=C(CO)CCC=C(F)F 1458a_100000210174_200009816681 [1,1,0,0,0,0|2,0,0]=4 273 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_100000211351_100000730704 [0,1,0,0,0,1|2,0,0]=4 274 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_200000688413_100000747449 [0,1,0,0,0,1|2,0,0]=4 275 B11R0.93 CCC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747405 [0,1,0,0,0,1|2,0,0]=4 276 B11R0.93 CNC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000183359 [0,1,0,0,0,1|2,0,0]=4 277 B11R0.93 COC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747449 [0,1,0,0,0,1|1,0,0]=3 278 B11R0.93 COC(=O)CC(=O)CCC(C)O 1458a_100000211351_100012276601 [0,1,0,0,0,1|1,0,1]=4 279 B11R0.93 COC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000747449 [0,1,0,0,0,1|1,0,1]=4 280 B11R0.93 COC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000747449 [0,1,0,0,0,1|2,0,0]=4 281 B11R0.93 COC(=O)CC(=O)CNC(=O)N 1458a_100000184981_100000747449 [0,1,0,0,0,1|2,0,0]=4 282 B11R0.93 COC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747449 [0,1,0,0,0,1|2,0,0]=4 283 B11R0.93 COC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000747449 [0,1,0,0,0,1|2,0,0]=4 284 B11R0.93 COC(=O)CC(=O)NCC(=O)N 240690a_100000711301_100000211351 [0,1,0,0,0,1|2,0,0]=4 285 B11R0.107 C=C(C)CC(=O)CCC(=O)OC 1458a_100000187943_100000748629 [0,1,0,0,0,1|2,0,0]=4 286 B11R0.107 C=C(F)CC(=O)CCC(=O)OC 1458a_100000187943_100009893438 [0,1,0,0,0,1|2,0,0]=4 287 B11R0.107 CNC(=O)CCC(=O)CC(=O)N 1458a_100011309844_100000187820 [0,1,0,0,0,1|2,0,0]=4 288 B11R0.107 CNC(=O)CCC(=O)CC(=O)[O-] 1458a_100011309844_100020667443 [0,1,0,0,0,1|1,0,1]=4 289 B11R0.107 COC(=O)CCC(=O)CC(=O)C 1458a_100000070787_100000691467 [0,1,0,0,0,1|1,0,0]=3 290 B11R0.107 COC(=O)CCC(=O)CC(=O)N 1458a_100000187943_100000187820 [0,1,0,0,0,1|1,0,0]=3 291 B11R0.107 COC(=O)CCC(=O)CC(=O)[O-] 1458a_100000187943_100020667443 [0,1,0,0,0,1|0,0,1]=3 292 B11R0.107 COC(=O)CCC(=O)CC(C)O 1458a_100000187943_100011218427 [0,1,0,0,0,1|1,0,1]=4 293 B11R0.107 COC(=O)CCC(=O)C[N+](=O)[O-] 1458a_100000187943_100000761209 [0,1,0,0,0,1|1,0,1]=4 294 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [0,1,0,0,0,1|2,0,0]=4 295 B11R0.107 COC(=O)CNC(=O)CC(=O)C 1458a_100000070787_100000182966 [0,1,0,0,0,1|2,0,0]=4 296 B11R0.107 COC(=O)NCC(=O)CC(=O)N 1458a_100000215747_100000187820 [0,1,0,0,0,1|2,0,0]=4 297 B11R0.107 COC(=O)NCC(=O)CC(=O)[O-] 1458a_100000215747_100020667443 [0,1,0,0,0,1|1,0,1]=4 298 B11R0.173 CC(=O)C(C)C(=O)CCC(=O)N 1458a_100011215257_100000179758 [0,1,0,0,0,1|2,0,0]=4 299 B11R0.173 CC(C(=O)N)C(=O)CCC(=O)N 1458a_100011215257_100000702099 [0,1,0,0,0,1|2,0,0]=4 300 B11R0.173 NC(=O)CCC(=O)C(F)C(=O)N 1458a_100011215257_100009813875 [0,1,0,0,0,1|2,0,0]=4 301 B11R0.173 NC(=O)CCC(=O)C(F)C(=O)[O-] 1458a_100011215257_100020610796 [0,1,0,0,0,1|1,0,1]=4 302 B11R0.109 C=C(C)C(=O)CCCC(=O)OC 1458a_100000185857_100011218270 [0,1,0,0,0,1|2,0,0]=4 303 B11R0.109 C=C(C)C(=O)NCCC(=O)OC 188690a_100000683876_100000185857 [0,1,0,0,0,1|2,0,0]=4 304 B11R0.109 C=C(C)C(=O)OCCC(=O)CO 1458a_100000210174_100009816335 [0,1,0,0,0,1|2,0,0]=4 305 B11R0.109 CCC(=O)COCC(=O)C(=O)C 34a_100000725409_100011261029 [0,1,0,0,0,1|2,0,0]=4 306 B11R0.109 CCC(=O)CSCC(=O)C(=O)C 62a_100000747405_100011261029 [0,1,0,0,0,1|2,0,0]=4 307 B11R0.109 CCC(=O)CSCC(=O)C(=O)C 62a_100011261029_100000747405 [0,1,0,0,0,1|2,0,0]=4 308 B11R0.109 CNC(=O)CCNC(=O)C(=O)N 240690a_100000738227_100011215815 [0,1,0,0,0,1|2,0,0]=4 309 B11R0.109 CNC(=O)COCC(=O)C(=O)C 34a_100000750040_100011261029 [0,1,0,0,0,1|2,0,0]=4 310 B11R0.109 CNC(=O)CSCC(=O)C(=O)C 62a_100000183359_100011261029 [0,1,0,0,0,1|2,0,0]=4 311 B11R0.109 CNC(=O)CSCC(=O)C(=O)C 62a_100011261029_100000183359 [0,1,0,0,0,1|2,0,0]=4 312 B11R0.109 COC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011218270 [0,1,0,0,0,1|0,0,2]=4 313 B11R0.109 COC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011218270 [0,1,0,0,0,1|1,0,1]=4 314 B11R0.109 COC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011218270 [0,1,0,0,0,1|1,0,1]=4 315 B11R0.109 COC(=O)CCNC(=O)C(O)O 188690a_100000683876_100000233687 [0,1,0,0,0,1|0,0,2]=4 316 B11R0.109 COC(=O)CCNC(=O)[C@@H](C)O 188690a_100000683876_100000717761 [0,1,0,0,0,1|1,0,1]=4 317 B11R0.109 COC(=O)CCNC(=O)[C@H](C)O 188690a_100000683876_217856618621 [0,1,0,0,0,1|1,0,1]=4 318 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [0,1,0,0,0,1|1,0,1]=4 319 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,1,0,0,0,1|1,0,1]=4 320 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [0,1,0,0,0,1|1,0,1]=4 321 B11R0.109 COC(=O)CSCC(=O)C(=O)C 62a_100000747449_100011261029 [0,1,0,0,0,1|1,0,0]=3 322 B11R0.109 COC(=O)CSCC(=O)C(=O)C 62a_100011261029_100000747449 [0,1,0,0,0,1|1,0,0]=3 323 B11R0.145 C=C(C)COCC(=O)C(=O)OC 34a_100000210245_100011610305 [0,1,0,0,0,1|2,0,0]=4 324 B11R0.145 C=C(C)CSCC(=O)C(=O)OC 62a_100000748629_100011610305 [0,1,0,0,0,1|2,0,0]=4 325 B11R0.145 C=C(C)CSCC(=O)C(=O)OC 62a_100011610305_100000211660 [0,1,0,0,0,1|2,0,0]=4 326 B11R0.145 C=C(COCC(=O)C)C(=O)OC 34a_100000211253_100009813391 [0,1,0,0,0,1|2,0,0]=4 327 B11R0.145 C=C(CSCC(=O)N)C(=O)OC 62a_100000747473_100009813391 [0,1,0,0,0,1|2,0,0]=4 328 B11R0.145 C=C(CSCC(=O)N)C(=O)OC 62a_100009813391_100000747473 [0,1,0,0,0,1|2,0,0]=4 329 B11R0.145 C=C(CSCC(=O)[O-])C(=O)OC 62a_100009813391_100020667443 [0,1,0,0,0,1|1,0,1]=4 330 B11R0.145 C=C(CSCC(=O)[O-])C(=O)OC 62a_100020667443_100009813391 [0,1,0,0,0,1|1,0,1]=4 331 B11R0.145 C=C(F)COCC(=O)C(=O)OC 34a_200010262243_100011610305 [0,1,0,0,0,1|2,0,0]=4 332 B11R0.145 C=C(F)CSCC(=O)C(=O)OC 62a_100000042424_100011610305 [0,1,0,0,0,1|2,0,0]=4 333 B11R0.145 C=C(F)CSCC(=O)C(=O)OC 62a_100011610305_100000042424 [0,1,0,0,0,1|2,0,0]=4 334 B11R0.145 CNC(=O)C(=O)CCCC(=O)C 1458a_100011218921_100011215641 [0,1,0,0,0,1|2,0,0]=4 335 B11R0.145 CNC(=O)C(=O)CCCC(=O)N 1458a_100011218921_100102525003 [0,1,0,0,0,1|2,0,0]=4 336 B11R0.145 CNC(=O)C(=O)CCNC(=O)C 1458a_100011218921_100000189650 [0,1,0,0,0,1|2,0,0]=4 337 B11R0.145 CNC(=O)C(=O)CCNC(=O)N 1458a_100011218921_200000034859 [0,1,0,0,0,1|2,0,0]=4 338 B11R0.145 CNC(=O)C(=O)CCOC(=O)C 1458a_100011218921_100009814007 [0,1,0,0,0,1|2,0,0]=4 339 B11R0.145 CNC(=O)C(=O)CCOC(=O)N 1458a_100011218921_200011214921 [0,1,0,0,0,1|2,0,0]=4 340 B11R0.145 CNC(=O)C(=O)NCCC(=O)N 240690a_100000740010_100011218921 [0,1,0,0,0,1|2,0,0]=4 341 B11R0.145 CNC(=O)C(=O)NCCC(=O)N 527a_100000740010_100011218921 [0,1,0,0,0,1|2,0,0]=4 342 B11R0.145 COC(=O)C(=O)CNCC(C)O 34a_100000210904_100011610305 [0,1,0,0,0,1|1,0,1]=4 343 B11R0.145 COC(=O)C(=O)COCC(=O)C 34a_100000211253_100011610305 [0,1,0,0,0,1|1,0,0]=3 344 B11R0.145 COC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011610305 [0,1,0,0,0,1|1,0,0]=3 345 B11R0.145 COC(=O)C(=O)CSCC(=O)N 62a_100011610305_100000747473 [0,1,0,0,0,1|1,0,0]=3 346 B11R0.145 COC(=O)C(=O)CSCC(=O)[O-] 62a_100011610305_100020667443 [0,1,0,0,0,1|0,0,1]=3 347 B11R0.145 COC(=O)C(=O)CSCC(=O)[O-] 62a_100020667443_100011610305 [0,1,0,0,0,1|0,0,1]=3 348 B11R0.145 COC(=O)C(=O)CSCC(C)O 62a_100011218427_100011610305 [0,1,0,0,0,1|1,0,1]=4 349 B11R0.145 COC(=O)C(=O)CSCC(C)O 62a_100011610305_100011218427 [0,1,0,0,0,1|1,0,1]=4 350 B11R0.145 COC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011610305 [0,1,0,0,0,1|1,0,1]=4 351 B11R0.145 COC(=O)C(=O)CSC[C@@H](C)O 62a_100011610305_100009817552 [0,1,0,0,0,1|1,0,1]=4 352 B11R0.145 COC(=O)C(=O)CSC[N+](=O)[O-] 62a_100011610305_100000761209 [0,1,0,0,0,1|1,0,1]=4 353 B11R0.145 COC(=O)C(=O)NCCC(=O)N 11a_100000740010_100000024059 [0,1,0,0,0,1|1,0,0]=3 354 B11R0.145 COC(=O)C(=O)NCCC(=O)N 240690a_100000740010_100000024059 [0,1,0,0,0,1|1,0,0]=3 355 B11R0.145 COC(=O)C(=O)NCCC(=O)N 527a_100000740010_100000024059 [0,1,0,0,0,1|1,0,0]=3 356 B11R0.145 COC(=O)C(=O)NCCC(C)O 240690a_200000755665_100000024059 [0,1,0,0,0,1|1,0,1]=4 357 B11R0.145 COC(=O)C(=O)NCCC(C)O 527a_200000755665_100000024059 [0,1,0,0,0,1|1,0,1]=4 358 B11R0.145 CON(C)C(=O)CNCC(=O)O 269956a_100016091260_100000764215 [0,1,0,0,0,1|2,0,0]=4 359 B11R0.150 CC(=O)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011261029 [0,1,0,0,0,1|1,0,0]=3 360 B11R0.150 CC(=O)C(=O)CN[C@H](C)C(=O)N 34a_100000119354_100011261029 [0,1,0,0,0,1|2,0,0]=4 361 B11R0.150 CC(=O)C(=O)COC(C)C(=O)C 34a_100000212229_100011261029 [0,1,0,0,0,1|2,0,0]=4 362 B11R0.150 CC(=O)C(=O)CO[C@H](C)C(=O)N 34a_100000731257_100011261029 [0,1,0,0,0,1|2,0,0]=4 363 B11R0.150 CC(=O)C(=O)CSC(C)C(=O)C 62a_100009814033_100011261029 [0,1,0,0,0,1|2,0,0]=4 364 B11R0.150 CC(=O)C(=O)CSC(C)C(=O)C 62a_100011261029_100009814033 [0,1,0,0,0,1|2,0,0]=4 365 B11R0.150 CC(=O)C(=O)CSC(C)C(=O)N 62a_100000702099_100011261029 [0,1,0,0,0,1|2,0,0]=4 366 B11R0.150 CC(=O)C(=O)CSC(C)C(=O)N 62a_100011261029_100000702099 [0,1,0,0,0,1|2,0,0]=4 367 B11R0.150 CC(=O)C(=O)CSC(F)C(=O)N 62a_100009813875_100011261029 [0,1,0,0,0,1|2,0,0]=4 368 B11R0.150 CC(=O)C(=O)CSC(F)C(=O)N 62a_100011261029_100009813875 [0,1,0,0,0,1|2,0,0]=4 369 B11R0.150 CC(=O)C(=O)CSC(F)C(=O)[O-] 62a_100011261029_100020610796 [0,1,0,0,0,1|1,0,1]=4 370 B11R0.150 CC(=O)C(=O)CSC(F)C(=O)[O-] 62a_100020610796_100011261029 [0,1,0,0,0,1|1,0,1]=4 371 B11R0.63 COC(=O)C(=O)N(C)CC(=O)N 11a_100000739694_100000024059 [0,2,0,0,0,0|2,0,0]=4 372 B11R0.63 COC(=O)C(=O)N(C)CC(=O)N 527a_100000739694_100000024059 [0,2,0,0,0,0|2,0,0]=4 373 B11R0.92 COC(=O)CN(C)C(=O)C(=O)N 240690a_100000198492_100011215815 [0,2,0,0,0,0|2,0,0]=4 374 B11R0.59 CCOC(=O)C(=O)NCC(=O)N 11a_100000711301_100014798877 [0,2,0,0,0,0|2,0,0]=4 375 B11R0.59 CCOC(=O)C(=O)NCC(=O)N 240690a_100000711301_100014798877 [0,2,0,0,0,0|2,0,0]=4 376 B11R0.117 COC(=O)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000024059 [0,2,0,0,0,0|2,0,0]=4 377 B11R0.117 COC(=O)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000024059 [0,2,0,0,0,0|2,0,0]=4 378 B11R0.117 COC(=O)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000024059 [0,2,0,0,0,0|2,0,0]=4 379 B11R0.120 C=C(CO)C(=O)NCC(=O)OC 188690a_100000185156_200000705526 [0,2,0,0,0,0|2,0,0]=4 380 B11R0.120 CNC(=O)CNC(=O)C(=O)OC 11a_100000693194_100000024059 [0,2,0,0,0,0|2,0,0]=4 381 B11R0.120 CNC(=O)CNC(=O)C(=O)OC 240690a_100000693194_100000024059 [0,2,0,0,0,0|2,0,0]=4 382 B11R0.120 CNC(=O)CNC(=O)C(=O)OC 527a_100000693194_100000024059 [0,2,0,0,0,0|2,0,0]=4 383 B11R0.120 COC(=O)C(C)CCC(=O)CO 1458a_100000210174_100000034942 [0,2,0,0,0,0|1,0,1]=4 384 B11R0.120 COC(=O)CCN(C)C(=O)CO 240690a_100025711912_100000210174 [0,2,0,0,0,0|2,0,0]=4 385 B11R0.120 COC(=O)CCN(C)C(=O)CO 527a_100025711912_100000210174 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.74 CC(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_200000210301 [0,0,0,1,0,1|2,0,0]=4 387 B11R1.74 CC(=O)[C@@H]1CC(=O)NC(=O)N1 1458a_100000732592_200000210301 [0,0,0,1,0,1|2,0,0]=4 388 B11R1.74 [13CH3]C(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_200025704644 [0,0,0,1,0,1|2,0,0]=4 389 B11R1.74 [13CH3]C(=O)[C@@H]1CC(=O)NC(=O)N1 1458a_100000732592_200025704644 [0,0,0,1,0,1|2,0,0]=4 390 B11R1.152 NC(=O)CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000187820 [0,0,0,1,0,1|2,0,0]=4 391 B11R1.152 O=C([O-])CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100020667443 [0,0,0,1,0,1|1,0,1]=4 392 B11R1.645 CC(=O)CC1NC(=O)NC1=O 1458a_100000187923_200000210301 [0,0,0,1,0,1|2,0,0]=4 393 B11R1.645 [13CH3]C(=O)CC1NC(=O)NC1=O 1458a_100000187923_200025704644 [0,0,0,1,0,1|2,0,0]=4 394 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [1,0,0,0,1,0|2,0,0]=4 395 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [1,0,0,0,1,0|1,0,1]=4 396 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [1,0,0,0,1,0|1,0,1]=4 397 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [1,0,0,0,1,0|0,0,2]=4 398 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100000749702_100000187820 [1,0,0,0,0,1|2,0,0]=4 399 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100134613110_100000754431 [1,0,0,0,0,1|2,0,0]=4 400 B9R0.4 C=CCCC(=O)CC(=O)[O-] 1458a_100000749702_100020667443 [1,0,0,0,0,1|1,0,1]=4 401 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [1,0,0,0,0,1|1,0,1]=4 402 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [1,0,0,0,0,1|2,0,0]=4 403 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,0,1|1,0,1]=4 404 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [1,0,0,0,0,1|2,0,0]=4 405 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,0,0,0,0,1|1,0,1]=4 406 B11R0.6 CC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100011215641 [0,0,0,0,0,2|2,0,0]=4 407 B11R0.6 CC(=O)CCOC(=O)CC(=O)C 1458a_100000070787_100000102702 [0,0,0,0,0,2|2,0,0]=4 408 B11R0.6 CC(=O)CCOC(=O)NC(=O)N 1458a_100000070787_100000054987 [0,0,0,0,0,2|2,0,0]=4 409 B11R0.6 CC(=O)NC(=O)CNCC(=O)O 269956a_100016091260_100000183797 [0,0,0,0,0,2|1,0,0]=3 410 B11R0.6 CC(=O)NC(=O)CSCC(=O)N 62a_100000747473_100000183797 [0,0,0,0,0,2|2,0,0]=4 411 B11R0.6 CC(=O)NC(=O)CSCC(=O)[O-] 62a_100020667443_100000183797 [0,0,0,0,0,2|1,0,1]=4 412 B11R0.6 CC(=O)NCCC(=O)CC(=O)N 1458a_100000183196_100000187820 [0,0,0,0,0,2|2,0,0]=4 413 B11R0.6 CC(=O)NCCC(=O)CC(=O)N 1458a_100134613110_100000189650 [0,0,0,0,0,2|2,0,0]=4 414 B11R0.6 CC(=O)NCCC(=O)CC(=O)[O-] 1458a_100000183196_100020667443 [0,0,0,0,0,2|1,0,1]=4 415 B11R0.6 CC(=O)OCCC(=O)CC(=O)N 1458a_100134613110_100009814007 [0,0,0,0,0,2|2,0,0]=4 416 B11R0.6 CC(=O)SCCC(=O)CC(=O)N 1458a_100000048949_100000187820 [0,0,0,0,0,2|2,0,0]=4 417 B11R0.6 CC(=O)SCCC(=O)CC(=O)[O-] 1458a_100000048949_100020667443 [0,0,0,0,0,2|1,0,1]=4 418 B11R0.6 NC(=O)CC(=O)CCNC(=O)N 1458a_100000181464_100000187820 [0,0,0,0,0,2|2,0,0]=4 419 B11R0.6 NC(=O)CC(=O)CCNC(=O)N 1458a_100134613110_200000034859 [0,0,0,0,0,2|2,0,0]=4 420 B11R0.6 NC(=O)CC(=O)CCOC(=O)N 1458a_100134613110_200011214921 [0,0,0,0,0,2|2,0,0]=4 421 B11R0.6 NC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100102525003 [0,0,0,0,0,2|2,0,0]=4 422 B11R0.6 NC(=O)CCNC(=O)CC(=O)N 240690a_100000740010_100134613110 [0,0,0,0,0,2|2,0,0]=4 423 B11R0.6 NC(=O)CCNC(=O)CC(=O)N 527a_100000740010_100134613110 [0,0,0,0,0,2|2,0,0]=4 424 B11R0.6 NC(=O)CNCC(=O)NC(=O)N 2230a_100000711301_100000182717 [0,0,0,0,0,2|2,0,0]=4 425 B11R0.6 NC(=O)COCC(=O)CC(=O)N 1458a_100011219004_100000187820 [0,0,0,0,0,2|2,0,0]=4 426 B11R0.6 NC(=O)COCC(=O)CC(=O)[O-] 1458a_100011219004_100020667443 [0,0,0,0,0,2|1,0,1]=4 427 B11R0.6 NC(=O)CSCC(=O)NC(=O)N 62a_100000747473_100000182717 [0,0,0,0,0,2|2,0,0]=4 428 B11R0.6 NC(=O)NC(=O)CSCC(=O)[O-] 62a_100020667443_100000182717 [0,0,0,0,0,2|1,0,1]=4 429 B11R0.6 NC(=O)NCCC(=O)CC(=O)[O-] 1458a_100000181464_100020667443 [0,0,0,0,0,2|1,0,1]=4 430 B11R0.85 CC(=O)CCC(=O)NCC(=O)N 1458a_200011309861_200000210301 [0,0,0,0,0,2|2,0,0]=4 431 B11R0.85 CC(=O)NNC(=O)CCC(=O)N 22a_100000189765_100011215257 [0,0,0,0,0,2|2,0,0]=4 432 B11R0.85 NC(=O)CCC(=O)NCC(=O)N 240690a_100000711301_100011215257 [0,0,0,0,0,2|2,0,0]=4 433 B11R0.85 NC(=O)CCC(=O)NCC(=O)N 527a_100000711301_100011215257 [0,0,0,0,0,2|2,0,0]=4 434 B11R0.85 [13CH3]C(=O)CCC(=O)NCC(=O)N 1458a_200011309861_200025704644 [0,0,0,0,0,2|2,0,0]=4 435 B11R0.29 CC(=O)C(=O)CNOCC(=O)O 269956a_100000106656_100011261029 [0,0,0,0,0,2|1,0,0]=3 436 B11R0.29 CC(=O)C(=O)COCCC(=O)N 34a_100000757172_100011261029 [0,0,0,0,0,2|2,0,0]=4 437 B11R0.29 CC(=O)C(=O)CSCCC(=O)N 62a_100000744528_100011261029 [0,0,0,0,0,2|2,0,0]=4 438 B11R0.29 CC(=O)C(=O)CSCCC(=O)N 62a_100011261029_100000744528 [0,0,0,0,0,2|2,0,0]=4 439 B11R0.29 CC(=O)CCOCC(=O)C(=O)C 34a_100000759926_100011261029 [0,0,0,0,0,2|2,0,0]=4 440 B11R0.29 CC(=O)CCSCC(=O)C(=O)C 62a_100000053229_100011261029 [0,0,0,0,0,2|2,0,0]=4 441 B11R0.29 CC(=O)CCSCC(=O)C(=O)C 62a_100011261029_100000053229 [0,0,0,0,0,2|2,0,0]=4 442 B11R0.29 CC(=O)NCCNC(=O)C(=O)N 240690a_100000209853_100011215815 [0,0,0,0,0,2|2,0,0]=4 443 B11R0.29 CC(=O)OCCNC(=O)C(=O)N 240690a_100000724843_100011215815 [0,0,0,0,0,2|2,0,0]=4 444 B11R0.29 CC(=O)OCSCC(=O)C(=O)C 62a_100000076356_100011261029 [0,0,0,0,0,2|2,0,0]=4 445 B11R0.29 CC(=O)OCSCC(=O)C(=O)C 62a_100011261029_100000076356 [0,0,0,0,0,2|2,0,0]=4 446 B11R0.29 CC(=O)SCCNC(=O)C(=O)N 240690a_100020647217_100011215815 [0,0,0,0,0,2|2,0,0]=4 447 B11R0.29 NC(=O)CCCNC(=O)C(=O)N 240690a_100000739312_100011215815 [0,0,0,0,0,2|2,0,0]=4 448 B11R0.29 NC(=O)NCCNC(=O)C(=O)N 240690a_100020590234_100011215815 [0,0,0,0,0,2|2,0,0]=4