0 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,0,0,0,0,0|4,0,0]=4 26 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,0,0,0,0,0|1,0,3]=4 29 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,0,0,0,0|2,0,0]=2 32 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,0,0,0,0|2,0,0]=2 33 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,0,0,0,0,0|4,0,0]=4 37 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,0,0,0,0|2,0,0]=2 39 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,0,0,0,0|3,0,0]=3 41 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,0,0,0,0|3,0,0]=3 42 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,0,0,0,0|3,0,0]=3 43 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,0,0,0,0,0|3,0,0]=3 49 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,0,0,0,0,0|3,0,0]=3 50 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,0,0,0,0,0|3,0,0]=3 51 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,0,0,0,0,0|3,0,0]=3 52 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,0,0,0,0,0|3,0,0]=3 55 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,0,0,0,0,0|3,0,0]=3 56 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,0,0,0,0,0|3,0,0]=3 57 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,0,0,0,0,0|3,0,0]=3 58 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,0,0,0,0,0|3,0,0]=3 59 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,0,0,0,0,0|3,0,0]=3 60 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,0,0,0,0,0|3,0,0]=3 61 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,0,0,0,0,0|3,0,0]=3 62 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,0,0,0,0,0|2,0,1]=3 63 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,0,0,0,0,0|2,0,1]=3 64 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,0,0,0,0|2,0,0]=2 65 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,0,0,0,0|2,0,0]=2 66 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,0,0,0,0,0|3,0,0]=3 68 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,0,0,0,0,0|3,0,0]=3 69 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,0,0,0,0,0|2,0,0]=2 72 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,0,0,0,0,0|4,0,0]=4 77 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,0,0,0,0,0|4,0,0]=4 79 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,0,0,0,0,0|4,0,0]=4 80 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,0,0,0,0,0|4,0,0]=4 82 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,0,0,0,0,0|4,0,0]=4 83 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,0,0,0,0,0|4,0,0]=4 84 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,0,0,0,0,0|4,0,0]=4 86 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,0,0,0,0,0|4,0,0]=4 87 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,0,0,0,0,0|3,0,0]=3 91 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,0,0,0,0,0|3,0,0]=3 92 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,0,0,0,0,0|4,0,0]=4 93 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,0,0,0,0,0|4,0,0]=4 94 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,0,0,0,0,0|4,0,0]=4 95 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,0,0,0,0,0|4,0,0]=4 96 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,0,0,0,0,0|3,0,0]=3 97 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,0,0,0,0,0|4,0,0]=4 98 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,0,0,0,0,0|4,0,0]=4 99 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,0,0,0,0,0|4,0,0]=4 100 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,0,0,0,0,0|4,0,0]=4 102 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,0,0,0,0,0|4,0,0]=4 103 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,0,0,0,0,0|4,0,0]=4 104 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,0,0,0,0,0|4,0,0]=4 105 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,0,0,0,0,0|4,0,0]=4 106 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,0,0,0,0,0|4,0,0]=4 107 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,0,0,0,0,0|3,0,1]=4 109 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,0,0,0,0,0|4,0,0]=4 110 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,0,0,0,0,0|4,0,0]=4 111 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,0,0,0,0,0|4,0,0]=4 112 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,0,0,0,0,0|4,0,0]=4 113 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,0,0,0,0,0|4,0,0]=4 114 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,0,0,0,0,0|4,0,0]=4 115 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,0,0,0,0,0|4,0,0]=4 116 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,0,0,0,0,0|4,0,0]=4 117 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,0,0,0,0,0|3,0,0]=3 120 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,0,0,0,0,0|3,0,1]=4 122 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,0,0,0,0,0|3,0,1]=4 123 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,0,0,0,0,0|4,0,0]=4 124 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,0,0,0,0,0|4,0,0]=4 125 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,0,0,0,0,0|4,0,0]=4 126 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,0,0,0,0,0|4,0,0]=4 127 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,0,0,0,0,0|4,0,0]=4 128 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,0,0,0,0,0|4,0,0]=4 129 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,0,0,0,0,0|4,0,0]=4 130 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,0,0,0,0,0|4,0,0]=4 131 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,0,0,0,0,0|3,0,0]=3 132 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,0,0,0,0,0|4,0,0]=4 133 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,0,0,0,0,0|3,0,0]=3 135 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,0,0,0,0,0|3,0,1]=4 138 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,0,0,0,0,0|3,0,1]=4 139 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,0,0,0,0,0|3,0,1]=4 140 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,0,0,0,0,0|3,0,1]=4 141 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,0,0,0,0|3,0,0]=4 144 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,0,0,0,0|3,0,0]=4 145 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,0,0,0,0,0|3,0,0]=4 146 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,0,0,0,0,0|3,0,0]=4 147 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,0,0,0,0,0|3,0,0]=4 148 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,0,0,0,0,0|3,0,0]=4 149 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,0,0,0,0,0|3,0,0]=4 150 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,0,0,0,0,0|3,0,0]=4 151 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,0,0,0,0,0|2,0,0]=3 152 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [1,0,0,0,0,0|3,0,0]=4 153 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,2]=4 156 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|3,0,0]=4 157 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|3,0,0]=4 158 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|3,0,0]=4 159 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|3,0,0]=4 160 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|3,0,0]=4 161 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|3,0,0]=4 162 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|3,0,0]=4 163 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|3,0,0]=4 164 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|3,0,0]=4 168 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|3,0,0]=4 170 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|3,0,0]=4 171 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,0,0,0,0,0|2,0,1]=4 173 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,0,0,0,0,0|2,0,1]=4 174 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,0,0,0,0,0|2,0,1]=4 178 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,0,0,0,0,0|2,0,1]=4 181 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,0,0,0,0,0|2,0,1]=4 182 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,0,0,0,0,0|2,0,1]=4 183 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,0,0,0,0,0|2,0,1]=4 184 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,0,0,0,0,0|2,0,1]=4 185 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,0,0,0,0,0|2,0,1]=4 186 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,0,0,0,0,0|2,0,1]=4 189 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,0,0,0,0,0|2,0,1]=4 190 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,0,0,0,0,0|2,0,1]=4 191 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,0,0,0,0,0|2,0,1]=4 192 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,0,0,0,0,0|2,0,1]=4 193 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [1,0,0,0,0,0|2,0,1]=4 194 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [1,0,0,0,0,0|2,0,1]=4 195 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,2]=4 196 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,2]=4 197 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,2]=4 198 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|1,0,2]=4 199 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|3,0,0]=4 200 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|3,0,0]=4 201 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|3,0,0]=4 202 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|3,0,0]=4 203 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|3,0,0]=4 204 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|3,0,0]=4 205 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|3,0,0]=4 206 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|3,0,0]=4 207 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|3,0,0]=4 208 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|3,0,0]=4 209 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|3,0,0]=4 210 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|3,0,0]=4 211 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|3,0,0]=4 212 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|3,0,0]=4 213 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,2]=4 214 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,2]=4 215 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,2]=4 216 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|1,0,2]=4 217 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,1]=4 218 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,1]=4 219 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,0]=3 220 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,0]=3 221 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,0]=3 222 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 223 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 224 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,0]=3 225 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,0]=3 226 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 227 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 228 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 229 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 230 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 231 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|3,0,0]=4 232 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|3,0,0]=4 233 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 234 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 235 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 236 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|3,0,0]=4 237 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|3,0,0]=4 239 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|3,0,0]=4 241 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|3,0,0]=4 242 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|3,0,0]=4 243 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|3,0,0]=4 244 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|3,0,0]=4 245 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 246 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|2,0,1]=4 247 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 248 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 249 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 250 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,2]=4 251 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,2]=4 252 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,2]=4 253 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,2]=4 254 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,2]=4 255 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,0]=2 256 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,0]=2 257 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,0]=2 258 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 259 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|3,0,0]=4 260 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 261 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|3,0,0]=4 262 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 263 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 264 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 265 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 266 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 267 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,0]=3 268 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,0]=3 269 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|1,0,0]=2 270 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 271 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 272 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|3,0,0]=4 273 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,0]=3 274 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,0]=3 275 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,0]=3 276 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,0]=3 277 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|1,0,1]=3 278 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|2,0,1]=4 279 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|2,0,1]=4 280 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,0,0,0,0,0|2,0,1]=4 281 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,0]=3 282 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,0]=3 283 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,0]=3 284 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,0]=3 285 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|1,0,1]=3 286 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|1,0,1]=3 287 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|2,0,1]=4 288 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|2,0,1]=4 289 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|2,0,1]=4 290 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|2,0,1]=4 291 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,0,0,0,0,0|2,0,1]=4 292 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,0]=3 293 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|2,0,1]=4 294 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|2,0,1]=4 295 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|2,0,0]=3 296 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,0]=3 297 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,0]=3 298 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 299 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 300 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 301 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,0]=3 302 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 303 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,0]=3 304 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|2,0,1]=4 305 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|3,0,0]=4 306 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,0]=3 307 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,0]=3 308 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,0]=3 309 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,0]=3 310 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,0]=3 311 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,0]=3 312 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,0]=3 313 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|2,0,1]=4 314 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 315 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|3,0,0]=4 316 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|3,0,0]=4 317 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,0]=3 318 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,0]=3 319 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 320 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 321 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 322 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 323 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|2,0,1]=4 324 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 325 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|3,0,0]=4 326 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 328 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 329 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 330 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 331 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 332 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|3,0,0]=4 333 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|3,0,0]=4 334 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 335 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 336 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,0]=3 337 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,0]=3 338 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 339 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,0]=3 340 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 341 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,0]=3 342 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,0]=3 343 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|2,0,1]=4 344 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|2,0,1]=4 345 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 346 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 347 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|3,0,0]=4 348 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|3,0,0]=4 349 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 350 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|3,0,0]=4 351 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 352 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 353 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 354 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,0]=3 355 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|3,0,0]=4 356 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|3,0,0]=4 357 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|3,0,0]=4 360 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,0]=3 361 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,0]=3 362 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,0]=3 363 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,0]=3 364 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,0]=3 365 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,0]=3 366 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|2,0,1]=4 367 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 368 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 369 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 370 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 371 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|3,0,0]=4 372 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|3,0,0]=4 373 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|3,0,0]=4 374 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 375 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 376 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|3,0,0]=4 377 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|3,0,0]=4 378 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 379 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 380 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 381 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,0]=3 382 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|3,0,0]=4 383 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|3,0,0]=4 384 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|3,0,0]=4 385 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|2,0,1]=4 388 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 389 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 390 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 391 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 392 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 393 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 394 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|3,0,0]=4 395 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|3,0,0]=4 396 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|3,0,0]=4 397 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 398 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 399 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 400 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|3,0,0]=4 401 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|3,0,0]=4 402 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|3,0,0]=4 403 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,0]=3 405 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,0]=3 406 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,0,0,0,0,0|3,0,0]=4 407 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|2,0,1]=4 412 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 413 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|2,0,1]=4 414 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,1]=4 416 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,0]=3 417 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|3,0,0]=4 418 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 419 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 420 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|2,0,1]=4 421 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 422 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 423 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,0]=3 424 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,0]=3 425 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 426 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 427 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 428 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 429 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,0,0,0,0|3,0,0]=4 430 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,0,0,0,0|3,0,0]=4 431 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,0,0,0,0|3,0,0]=4 432 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|2,0,0]=3 433 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|2,0,0]=3 434 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|2,0,0]=3 435 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|2,0,0]=3 436 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 437 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 438 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 439 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|3,0,0]=4 440 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|2,0,0]=3 441 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|2,0,0]=3 442 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,0,0,0,0|3,0,0]=4 443 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,0,0,0,0|3,0,0]=4 444 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,0,0,0,0,0|3,0,0]=4 445 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|2,0,0]=3 446 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,0,0,0,0|3,0,0]=4 447 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,0,0,0,0|3,0,0]=4 448 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,0,0,0,0|3,0,0]=4 449 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,0,0,0,0|3,0,0]=4 450 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,0,0,0,0|3,0,0]=4 451 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,0,0,0,0|3,0,0]=4 452 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,0,0,0,0,0|3,0,0]=4 453 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,0,0,0,0,0|2,0,1]=4 454 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,0,0,0,0|2,0,1]=4 455 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,0,0,0,0|3,0,0]=4 456 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,0,0,0,0|3,0,0]=4 457 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,0,0,0,0|3,0,0]=4 458 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,0,0,0,0|3,0,0]=4 459 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,0,0,0,0|3,0,0]=4 460 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,0,0,0,0|3,0,0]=4 461 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,0,0,0,0|3,0,0]=4 462 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,0,0,0,0|3,0,0]=4 463 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,0,0,0,0,0|3,0,0]=4 464 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,0,0,0,0,0|3,0,0]=4 465 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,0,0,0,0,0|2,0,1]=4 466 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,0,0,0,0,0|2,0,1]=4 467 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|2,0,0]=3 468 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|2,0,0]=3 469 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,0,0,0,0|3,0,0]=4 470 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,0,0,0,0|3,0,0]=4 471 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,0,0,0,0|3,0,0]=4 472 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,0,0,0,0|3,0,0]=4 473 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,0,0,0,0|3,0,0]=4 474 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,0,0,0,0,0|2,0,0]=3 475 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,0,0,0,0|3,0,0]=4 476 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,0,0,0,0|3,0,0]=4 477 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,0,0,0,0|3,0,0]=4 478 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|2,0,0]=3 479 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,0,0,0,0,0|2,0,0]=3 480 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,1,0,0,0,0|3,0,0]=4 481 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,1,0,0,0,0|3,0,0]=4 482 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,1,0,0,0,0|3,0,0]=4 483 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,1,0,0,0,0|3,0,0]=4 484 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,0,0|2,0,1]=4 485 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,1,0,0,0,0|2,0,1]=4 486 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,1,0,0,0,0|2,0,1]=4 487 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,1,0,0,0,0|1,0,2]=4 488 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,0,0,0,0|3,0,0]=4 489 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,0,0,0,0|3,0,0]=4 490 B9R0.6 CCCN(C)C(C)C(=O)N 2230a_100000747261_100000702099 [0,1,0,0,0,0|3,0,0]=4 491 B9R0.6 CCCN(C)C(C)C(=O)N 269982a_100000747261_100000184083 [0,1,0,0,0,0|3,0,0]=4 492 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,0,0,0,0|2,0,0]=3 493 B9R0.6 CCCN(C)C(F)C(=O)N 2230a_100000747261_100009813875 [0,1,0,0,0,0|3,0,0]=4 494 B9R0.6 CCCN(C)C(F)C(=O)N 269982a_100000747261_100009813875 [0,1,0,0,0,0|3,0,0]=4 495 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,1,0,0,0,0|2,0,0]=3 496 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,1,0,0,0,0|3,0,0]=4 497 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,1,0,0,0,0|3,0,0]=4 498 B9R0.6 C[C@@H](OCF)[C@H](N)C(=O)N 34a_100000003557_100015361967 [0,1,0,0,0,0|3,0,0]=4 499 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,1,0,0,0,0|2,0,1]=4 500 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,0,0,0,0|2,0,0]=3 501 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,1,0,0,0,0|3,0,0]=4 502 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,1,0,0,0,0|3,0,0]=4 503 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,1,0,0,0,0|3,0,0]=4 504 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,0|3,0,0]=4 505 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,1,0,0,0,0|3,0,0]=4 506 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,0,0,0,0|3,0,0]=4 507 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,0,0,0,0|3,0,0]=4 508 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,1,0,0,0,0|3,0,0]=4 509 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,1,0,0,0,0|3,0,0]=4 510 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,0,0,0,0|3,0,0]=4 511 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,0,0,0,0|3,0,0]=4 512 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,0,0,0,0|3,0,0]=4 513 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,0,0,0,0|3,0,0]=4 514 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,1,0,0,0,0|3,0,0]=4 515 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,1,0,0,0,0|3,0,0]=4 516 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,1,0,0,0,0|3,0,0]=4 517 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,1,0,0,0,0|3,0,0]=4 518 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [0,1,0,0,0,0|3,0,0]=4 519 B9R0.7 CC(Br)COC(F)C(=O)N 34a_100012180447_100009813875 [0,1,0,0,0,0|3,0,0]=4 520 B9R0.7 CC(Br)COC(F)C(=O)[O-] 34a_100012180447_100020610796 [0,1,0,0,0,0|2,0,1]=4 521 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,1,0,0,0,0|3,0,0]=4 522 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,1,0,0,0,0|3,0,0]=4 523 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,1,0,0,0,0|3,0,0]=4 524 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,1,0,0,0,0|3,0,0]=4 525 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,1,0,0,0,0|2,0,1]=4 526 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,0|2,0,0]=3 527 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,1,0,0,0,0|3,0,0]=4 528 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,1,0,0,0,0|3,0,0]=4 529 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,1,0,0,0,0|3,0,0]=4 530 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,1,0,0,0,0|3,0,0]=4 531 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,1,0,0,0,0|3,0,0]=4 532 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,1,0,0,0,0|2,0,1]=4 533 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,1,0,0,0,0|2,0,1]=4 534 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,1,0,0,0,0|3,0,0]=4 535 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,1,0,0,0,0|3,0,0]=4 536 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,1,0,0,0,0|3,0,0]=4 537 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,1,0,0,0,0|3,0,0]=4 538 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,1,0,0,0,0|3,0,0]=4 539 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,1,0,0,0,0|3,0,0]=4 540 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,1,0,0,0,0|2,0,1]=4 541 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,1,0,0,0,0|2,0,1]=4 542 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,0,0,0,0|2,0,0]=3 543 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,0,0,0,0|2,0,0]=3 544 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,0|2,0,0]=3 545 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [0,1,0,0,0,0|3,0,0]=4 546 B9R0.7 CC(F)COC(F)C(=O)N 34a_100015925927_100009813875 [0,1,0,0,0,0|3,0,0]=4 547 B9R0.7 CC(F)COC(F)C(=O)[O-] 34a_100015925927_100020610796 [0,1,0,0,0,0|2,0,1]=4 548 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,1,0,0,0,0|3,0,0]=4 549 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,0|3,0,0]=4 550 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,1,0,0,0,0|3,0,0]=4 551 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,1,0,0,0,0|3,0,0]=4 552 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,1,0,0,0,0|2,0,1]=4 553 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,0,0,0,0|2,0,0]=3 554 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,1,0,0,0,0|3,0,0]=4 555 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,1,0,0,0,0|3,0,0]=4 556 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,1,0,0,0,0|2,0,1]=4 557 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,1,0,0,0,0|3,0,0]=4 558 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,1,0,0,0,0|3,0,0]=4 559 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,1,0,0,0,0|3,0,0]=4 560 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,1,0,0,0,0|3,0,0]=4 561 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,1,0,0,0,0|3,0,0]=4 562 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,1,0,0,0,0|3,0,0]=4 563 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,1,0,0,0,0|2,0,1]=4 564 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,1,0,0,0,0|2,0,1]=4 565 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [0,1,0,0,0,0|3,0,0]=4 566 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,1,0,0,0,0|3,0,0]=4 567 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,1,0,0,0,0|3,0,0]=4 568 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,1,0,0,0,0|3,0,0]=4 569 B9R0.7 C[C@@H](Cl)COC(F)C(=O)N 34a_100016084084_100009813875 [0,1,0,0,0,0|3,0,0]=4 570 B9R0.7 C[C@@H](Cl)COC(F)C(=O)[O-] 34a_100016084084_100020610796 [0,1,0,0,0,0|2,0,1]=4 571 B9R0.7 C[C@@H](N)COC(F)C(=O)N 34a_100000737577_100009813875 [0,1,0,0,0,0|3,0,0]=4 572 B9R0.7 C[C@@H](N)COC(F)C(=O)[O-] 34a_100000737577_100020610796 [0,1,0,0,0,0|2,0,1]=4 573 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,1,0,0,0,0|3,0,0]=4 574 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,1,0,0,0,0|3,0,0]=4 575 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,1,0,0,0,0|3,0,0]=4 576 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,1,0,0,0,0|3,0,0]=4 577 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,1,0,0,0,0|3,0,0]=4 578 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,1,0,0,0,0|3,0,0]=4 579 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,1,0,0,0,0|2,0,1]=4 580 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,1,0,0,0,0|2,0,1]=4 581 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,1,0,0,0,0|3,0,0]=4 582 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,0,0,0,0|2,0,0]=3 583 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,1,0,0,0,0|2,0,1]=4 584 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,0,0,0,0|2,0,0]=3 585 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,0,0,0,0|2,0,1]=4 586 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,0,0,0,0|2,0,1]=4 587 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,0,0,0,0|2,0,1]=4 588 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,0,0,0,0|2,0,0]=3 589 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,1,0,0,0,0|3,0,0]=4 590 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,1,0,0,0,0|3,0,0]=4 591 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,0,0,0,0|3,0,0]=4 592 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|2,0,1]=4 593 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|2,0,0]=3 594 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|2,0,0]=3 595 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,0,0,0,0|2,0,0]=3 596 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|1,0,0]=2 597 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|2,0,0]=3 598 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|2,0,0]=3 599 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|2,0,0]=3 600 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|2,0,0]=3 601 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|2,0,0]=3 602 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,0,0,0,0|2,0,0]=3 603 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|2,0,0]=3 604 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|2,0,0]=3 605 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,0,0,0,0|3,0,0]=4 606 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,0,0,0,0|3,0,0]=4 607 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,0,0,0,0|3,0,0]=4 608 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,0,0,0,0|2,0,0]=3 610 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,0,0,0,0|2,0,0]=3 611 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,1,0,0,0,0|3,0,0]=4 612 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,1,0,0,0,0|3,0,0]=4 613 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 614 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 615 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 616 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|2,0,1]=4 617 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,1,0,0,0,0|3,0,0]=4 618 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,1,0,0,0,0|3,0,0]=4 619 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,1,0,0,0,0|3,0,0]=4 620 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,1,0,0,0,0|3,0,0]=4 621 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,0,0,0,0|2,0,0]=3 622 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,0,0,0,0|2,0,0]=3 623 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,1,0,0,0,0|3,0,0]=4 624 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,0,0,0,0|3,0,0]=4 625 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,0,0,0,0|3,0,0]=4 626 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,1,0,0,0,0|3,0,0]=4 627 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,1,0,0,0,0|3,0,0]=4 628 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,0,0,0,0|2,0,0]=3 629 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,0,0,0,0|2,0,0]=3 630 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,1,0,0,0,0|3,0,0]=4 631 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,1,0,0,0,0|3,0,0]=4 632 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,1,0,0,0,0|3,0,0]=4 633 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,1,0,0,0,0|3,0,0]=4 634 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|2,0,1]=4 635 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,0,0,0,0|2,0,0]=3 636 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,0,0,0,0|2,0,0]=3 637 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,0,0,0,0|2,0,0]=3 638 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,0,0,0,0|2,0,0]=3 639 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,1,0,0,0,0|2,0,0]=3 640 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,0,0,0,0|1,0,0]=2 641 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|2,0,1]=4 642 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|2,0,1]=4 643 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,0,0,0,0|2,0,0]=3 644 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,0,0,0,0|2,0,0]=3 645 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,1,0,0,0,0|3,0,0]=4 646 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,1,0,0,0,0|3,0,0]=4 647 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,1,0,0,0,0|3,0,0]=4 648 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,0,0,0,0|2,0,0]=3 649 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,0,0,0,0|2,0,0]=3 650 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,0,0,0,0|2,0,0]=3 651 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,0,0,0,0|2,0,0]=3 652 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,0,0,0,0|2,0,0]=3 653 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,0,0,0,0|2,0,0]=3 654 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,0,0,0,0|2,0,0]=3 655 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,1,0,0,0,0|3,0,0]=4 656 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,1,0,0,0,0|3,0,0]=4 657 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,1,0,0,0,0|3,0,0]=4 658 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,1,0,0,0,0|3,0,0]=4 659 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,1,0,0,0,0|3,0,0]=4 660 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,1,0,0,0,0|3,0,0]=4 661 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,1,0,0,0,0|3,0,0]=4 662 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,1,0,0,0,0|3,0,0]=4 663 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,1,0,0,0,0|3,0,0]=4 664 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,0,0,0,0|3,0,0]=4 665 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,1,0,0,0,0|3,0,0]=4 666 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,1,0,0,0,0|3,0,0]=4 667 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,1,0,0,0,0|3,0,0]=4 668 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,1,0,0,0,0|3,0,0]=4 669 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,1,0,0,0,0|3,0,0]=4 670 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,1,0,0,0,0|3,0,0]=4 671 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,1,0,0,0,0|3,0,0]=4 672 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,1,0,0,0,0|3,0,0]=4 673 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,1,0,0,0,0|3,0,0]=4 674 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,1,0,0,0,0|2,0,0]=3 675 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,0,0,0,0|2,0,0]=3 676 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,1,0,0,0,0|3,0,0]=4 677 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,1,0,0,0,0|3,0,0]=4 678 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,1,0,0,0,0|3,0,0]=4 679 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,1,0,0,0,0|3,0,0]=4 680 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,1,0,0,0,0|3,0,0]=4 681 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,1,0,0,0,0|3,0,0]=4 682 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,1,0,0,0,0|3,0,0]=4 683 B9R0.8 NNC(=O)C(N)COCF 34a_100016989258_100015361967 [0,1,0,0,0,0|3,0,0]=4 684 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,1,0,0,0,0|2,0,0]=3 685 B9R0.13 C=C[C@H](NCCF)C(=O)O 269956a_100016992060_100011217306 [0,1,0,0,0,0|3,0,0]=4 686 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [0,1,0,0,0,0|3,0,0]=4 687 B9R0.13 C=C[C@H](NCOC)C(=O)O 269956a_100016992060_100000766300 [0,1,0,0,0,0|3,0,0]=4 688 B9R0.13 C=C[C@H](NCSC)C(=O)O 269956a_100016992060_100011218213 [0,1,0,0,0,0|3,0,0]=4 689 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,1,0,0,0,0|2,0,0]=3 690 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,1,0,0,0,0|2,0,0]=3 691 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,1,0,0,0,0|2,0,0]=3 692 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,1,0,0,0,0|1,0,0]=2 693 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,1,0,0,0,0|1,0,0]=2 694 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,1,0,0,0,0|1,0,0]=2 695 B9R0.13 CCCCC(NC)C(C)C 270004a_106832991635_200011215219 [0,1,0,0,0,0|2,0,1]=4 696 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,1,0,0,0,0|2,0,0]=3 697 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,1,0,0,0,0|2,0,0]=3 698 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,1,0,0,0,0|2,0,0]=3 699 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,1,0,0,0,0|2,0,0]=3 700 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,1,0,0,0,0|2,0,0]=3 701 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,1,0,0,0,0|3,0,0]=4 702 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,1,0,0,0,0|3,0,0]=4 703 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,1,0,0,0,0|3,0,0]=4 704 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,1,0,0,0,0|3,0,0]=4 705 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,1,0,0,0,0|1,0,0]=2 706 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,1,0,0,0,0|1,0,0]=2 707 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,1,0,0,0,0|1,0,0]=2 708 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,1,0,0,0,0|1,0,0]=2 709 B9R0.13 CCCNC(C#N)C(=O)N 2230a_100000039599_100000210303 [0,1,0,0,0,0|2,0,1]=4 710 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [0,1,0,0,0,0|3,0,0]=4 711 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [0,1,0,0,0,0|3,0,0]=4 712 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,1,0,0,0,0|2,0,0]=3 713 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [0,1,0,0,0,0|3,0,0]=4 714 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|3,0,0]=4 715 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,1,0,0,0,0|2,0,0]=3 716 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [0,1,0,0,0,0|3,0,0]=4 717 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,1,0,0,0,0|3,0,0]=4 718 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,1,0,0,0,0|3,0,0]=4 719 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,1,0,0,0,0|3,0,0]=4 720 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,1,0,0,0,0|3,0,0]=4 721 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [0,1,0,0,0,0|3,0,0]=4 722 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [0,1,0,0,0,0|3,0,0]=4 723 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,1,0,0,0,0|2,0,0]=3 724 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,1,0,0,0,0|2,0,0]=3 725 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,1,0,0,0,0|1,0,0]=2 726 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,1,0,0,0,0|1,0,0]=2 727 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [0,1,0,0,0,0|3,0,0]=4 728 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,1,0,0,0,0|2,0,0]=3 729 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,1,0,0,0,0|2,0,0]=3 730 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,1,0,0,0,0|1,0,0]=2 731 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [0,1,0,0,0,0|3,0,0]=4 732 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,1,0,0,0,0|1,0,0]=2 733 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,1,0,0,0,0|3,0,0]=4 734 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,1,0,0,0,0|3,0,0]=4 735 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 736 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 737 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 738 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,0,0,0,0|3,0,0]=4 739 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,0,0,0,0|3,0,0]=4 740 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,1,0,0,0,0|3,0,0]=4 741 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,1,0,0,0,0|3,0,0]=4 742 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,0|2,0,0]=3 743 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,1,0,0,0,0|3,0,0]=4 744 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,1,0,0,0,0|3,0,0]=4 745 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,0,0,0,0|3,0,0]=4 746 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,0,0,0,0|3,0,0]=4 747 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,1,0,0,0,0|3,0,0]=4 748 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,1,0,0,0,0|3,0,0]=4 749 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,1,0,0,0,0|2,0,1]=4 750 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,1,0,0,0,0|3,0,0]=4 751 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,1,0,0,0,0|3,0,0]=4 752 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,0,0,0,0|3,0,0]=4 753 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,0,0,0,0|3,0,0]=4 754 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,1,0,0,0,0|3,0,0]=4 755 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,1,0,0,0,0|3,0,0]=4 756 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,1,0,0,0,0|3,0,0]=4 757 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,1,0,0,0,0|3,0,0]=4 758 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,1,0,0,0,0|2,0,1]=4 759 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,1,0,0,0,0|2,0,1]=4 760 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,1,0,0,0,0|3,0,0]=4 761 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,1,0,0,0,0|3,0,0]=4 762 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,0|3,0,0]=4 763 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,0|3,0,0]=4 764 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,1,0,0,0,0|1,0,2]=4 765 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,1,0,0,0,0|1,0,2]=4 766 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,1,0,0,0,0|1,0,2]=4 767 B9R0.47 C#CCOC[C@H](N)C(=O)N 34a_100000729942_100000184674 [0,1,0,0,0,0|1,0,2]=4 768 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [0,1,0,0,0,0|1,0,2]=4 769 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,0,0,0,0|3,0,0]=4 770 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,1,0,0,0,0|1,0,2]=4 771 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,1,0,0,0,0|1,0,2]=4 772 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,1,0,0,0,0|1,0,2]=4 773 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [0,1,0,0,0,0|1,0,2]=4 774 B9R0.47 CC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000748600 [0,1,0,0,0,0|1,0,2]=4 775 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,1,0,0,0,0|3,0,0]=4 776 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,1,0,0,0,0|3,0,0]=4 777 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,1,0,0,0,0|3,0,0]=4 778 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,1,0,0,0,0|3,0,0]=4 779 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,1,0,0,0,0|3,0,0]=4 780 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,1,0,0,0,0|3,0,0]=4 781 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,1,0,0,0,0|3,0,0]=4 782 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,1,0,0,0,0|3,0,0]=4 783 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,1,0,0,0,0|3,0,0]=4 784 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,1,0,0,0,0|3,0,0]=4 785 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,1,0,0,0,0|3,0,0]=4 786 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,1,0,0,0,0|3,0,0]=4 787 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,1,0,0,0,0|2,0,1]=4 788 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,1,0,0,0,0|2,0,1]=4 789 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,0,0,0,0|2,0,0]=3 790 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,0,0,0,0|2,0,0]=3 791 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,1,0,0,0,0|3,0,0]=4 792 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,1,0,0,0,0|3,0,0]=4 793 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,1,0,0,0,0|3,0,0]=4 794 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,1,0,0,0,0|3,0,0]=4 795 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,1,0,0,0,0|3,0,0]=4 796 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,1,0,0,0,0|3,0,0]=4 797 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,1,0,0,0,0|3,0,0]=4 798 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,1,0,0,0,0|3,0,0]=4 799 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,1,0,0,0,0|3,0,0]=4 800 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,1,0,0,0,0|3,0,0]=4 801 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|2,0,0]=3 802 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|2,0,0]=3 803 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|2,0,0]=3 804 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|3,0,0]=4 805 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|3,0,0]=4 806 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|3,0,0]=4 807 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|3,0,0]=4 808 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|2,0,1]=4 809 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|2,0,0]=3 810 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|2,0,0]=3 811 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,0,0,0,0|2,0,0]=3 812 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,0,0,0,0|2,0,0]=3 813 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,0,0,0,0|2,0,0]=3 814 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,0,0,0,0|2,0,0]=3 815 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|1,0,0]=2 816 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,0,0,0,0|2,0,0]=3 817 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,0,0,0,0|2,0,0]=3 818 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|2,0,0]=3 819 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|2,0,0]=3 820 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,0,0,0,0|2,0,0]=3 821 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,0,0,0,0|2,0,0]=3 822 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,0,0,0,0|2,0,0]=3 823 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,0,0,0,0|2,0,0]=3 824 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,0,0,0,0|1,0,1]=3 825 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,0,0,0,0|1,0,1]=3 826 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,0,0,0,0|2,0,0]=3 827 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,0,0,0,0|2,0,0]=3 828 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|2,0,0]=3 829 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|2,0,0]=3 830 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|2,0,0]=3 831 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,0,0,0,0|2,0,0]=3 832 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,0,0,0,0|2,0,0]=3 833 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|2,0,0]=3 834 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,0,0,0,0|2,0,0]=3 835 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,0,0,0,0|2,0,0]=3 836 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,0,0,0,0|1,0,1]=3 837 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,0,0,0,0|1,0,1]=3 838 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|1,0,0]=2 839 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|1,0,0]=2 840 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|2,0,1]=4 841 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|2,0,0]=3 842 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|2,0,0]=3 843 B9R0.47 CCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210303 [0,1,0,0,0,0|2,0,1]=4 844 B9R0.47 CCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210303 [0,1,0,0,0,0|2,0,1]=4 845 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|1,0,0]=2 846 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,1,0,0,0,0|2,0,1]=4 847 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|2,0,1]=4 848 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|2,0,1]=4 849 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,1,0,0,0,0|2,0,1]=4 850 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,1,0,0,0,0|2,0,0]=3 851 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,1,0,0,0,0|3,0,0]=4 852 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,1,0,0,0,0|3,0,0]=4 853 B9R0.47 CCOCSC(C)C(=O)N 62a_100000702099_100000739092 [0,1,0,0,0,0|3,0,0]=4 854 B9R0.47 CCOCSC(C)C(=O)N 62a_100000739092_100000702099 [0,1,0,0,0,0|3,0,0]=4 855 B9R0.47 CCOCSC(F)C(=O)N 62a_100000739092_100009813875 [0,1,0,0,0,0|3,0,0]=4 856 B9R0.47 CCOCSC(F)C(=O)N 62a_100009813875_100000739092 [0,1,0,0,0,0|3,0,0]=4 857 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100000739092_100020610796 [0,1,0,0,0,0|2,0,1]=4 858 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100020610796_100000739092 [0,1,0,0,0,0|2,0,1]=4 859 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,1,0,0,0,0|3,0,0]=4 860 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,1,0,0,0,0|3,0,0]=4 861 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,1,0,0,0,0|3,0,0]=4 862 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,1,0,0,0,0|3,0,0]=4 863 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,1,0,0,0,0|3,0,0]=4 864 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [0,1,0,0,0,0|3,0,0]=4 865 B9R0.47 COCCNC(F)C(=O)N 2230a_100000209980_100009813875 [0,1,0,0,0,0|3,0,0]=4 866 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,0,0,0,0|2,0,0]=3 867 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [0,1,0,0,0,0|3,0,0]=4 868 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [0,1,0,0,0,0|3,0,0]=4 869 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,1,0,0,0,0|3,0,0]=4 870 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [0,1,0,0,0,0|3,0,0]=4 871 B9R0.47 COCCOC(F)C(=O)N 34a_100000210237_100009813875 [0,1,0,0,0,0|3,0,0]=4 872 B9R0.47 COCCOC(F)C(=O)[O-] 34a_100000210237_100020610796 [0,1,0,0,0,0|2,0,1]=4 873 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [0,1,0,0,0,0|2,0,1]=4 874 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [0,1,0,0,0,0|3,0,0]=4 875 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [0,1,0,0,0,0|3,0,0]=4 876 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,1,0,0,0,0|3,0,0]=4 877 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,1,0,0,0,0|3,0,0]=4 878 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,1,0,0,0,0|3,0,0]=4 879 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,1,0,0,0,0|3,0,0]=4 880 B9R0.47 COCCSC(F)C(=O)N 62a_100000233755_100009813875 [0,1,0,0,0,0|3,0,0]=4 881 B9R0.47 COCCSC(F)C(=O)N 62a_100009813875_100000233755 [0,1,0,0,0,0|3,0,0]=4 882 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100000233755_100020610796 [0,1,0,0,0,0|2,0,1]=4 883 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100020610796_100000233755 [0,1,0,0,0,0|2,0,1]=4 884 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,0,0,0,0|2,0,0]=3 885 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,0,0,0,0|2,0,0]=3 886 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,1,0,0,0,0|3,0,0]=4 887 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,1,0,0,0,0|3,0,0]=4 888 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,1,0,0,0,0|3,0,0]=4 889 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,0,0,0,0|2,0,0]=3 890 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,1,0,0,0,0|3,0,0]=4 891 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,1,0,0,0,0|3,0,0]=4 892 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,1,0,0,0,0|3,0,0]=4 893 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,1,0,0,0,0|3,0,0]=4 894 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,1,0,0,0,0|3,0,0]=4 895 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,1,0,0,0,0|3,0,0]=4 896 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,1,0,0,0,0|3,0,0]=4 897 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,1,0,0,0,0|3,0,0]=4 898 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,1,0,0,0,0|2,0,1]=4 899 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,1,0,0,0,0|2,0,1]=4 900 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,1,0,0,0,0|3,0,0]=4 901 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,1,0,0,0,0|3,0,0]=4 902 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,1,0,0,0,0|3,0,0]=4 903 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,1,0,0,0,0|3,0,0]=4 904 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,1,0,0,0,0|3,0,0]=4 905 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,1,0,0,0,0|3,0,0]=4 906 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,1,0,0,0,0|3,0,0]=4 907 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,1,0,0,0,0|3,0,0]=4 908 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,1,0,0,0,0|2,0,1]=4 909 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,1,0,0,0,0|2,0,1]=4 910 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,0,0,0,0|2,0,0]=3 911 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,0,0,0,0|2,0,0]=3 912 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,1,0,0,0,0|3,0,0]=4 913 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,1,0,0,0,0|2,0,0]=3 914 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,1,0,0,0,0|3,0,0]=4 915 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,1,0,0,0,0|3,0,0]=4 916 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,1,0,0,0,0|3,0,0]=4 917 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,1,0,0,0,0|3,0,0]=4 918 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,1,0,0,0,0|3,0,0]=4 919 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,1,0,0,0,0|3,0,0]=4 920 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,1,0,0,0,0|3,0,0]=4 921 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,1,0,0,0,0|3,0,0]=4 922 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,1,0,0,0,0|2,0,1]=4 923 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,1,0,0,0,0|2,0,0]=3 924 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,1,0,0,0,0|2,0,0]=3 925 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,1,0,0,0,0|2,0,1]=4 926 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,1,0,0,0,0|2,0,1]=4 927 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,1,0,0,0,0|2,0,1]=4 928 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 929 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 930 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,1,0,0,0,0|3,0,0]=4 931 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,1,0,0,0,0|3,0,0]=4 932 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,1,0,0,0,0|3,0,0]=4 933 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,1,0,0,0,0|3,0,0]=4 934 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,1,0,0,0,0|3,0,0]=4 935 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,1,0,0,0,0|3,0,0]=4 936 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,1,0,0,0,0|3,0,0]=4 937 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [0,1,0,0,0,0|2,0,1]=4 938 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,1,0,0,0,0|2,0,0]=3 939 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,1,0,0,0,0|2,0,0]=3 940 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,1,0,0,0,0|3,0,0]=4 941 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,1,0,0,0,0|2,0,1]=4 942 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,0,0,0,0|2,0,0]=3 943 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,0,0,0,0|2,0,0]=3 944 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,1,0,0,0,0|2,0,1]=4 945 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,1,0,0,0,0|2,0,1]=4 946 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,1,0,0,0,0|2,0,1]=4 947 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,1,0,0,0,0|2,0,1]=4 948 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,1,0,0,0,0|2,0,1]=4 949 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,1,0,0,0,0|2,0,1]=4 950 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,1,0,0,0,0|2,0,1]=4 951 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,1,0,0,0,0|2,0,1]=4 952 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,1,0,0,0,0|2,0,1]=4 953 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,1,0,0,0,0|3,0,0]=4 954 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,1,0,0,0,0|2,0,0]=3 955 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,1,0,0,0,0|2,0,0]=3 956 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,1,0,0,0,0|2,0,0]=3 957 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,1,0,0,0,0|2,0,0]=3 958 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,1,0,0,0,0|2,0,0]=3 959 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,1,0,0,0,0|2,0,0]=3 960 B9R0.51 CCCNC(C)(C)C(=O)N 2230a_100000743658_100000210303 [0,1,0,0,0,0|3,0,0]=4 961 B9R0.51 CCCNC(C)(C)C(=O)N 34a_100000743658_100000210303 [0,1,0,0,0,0|3,0,0]=4 962 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,1,0,0,0,0|3,0,0]=4 963 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,1,0,0,0,0|3,0,0]=4 964 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100000210258_100000702505 [0,1,0,0,0,0|3,0,0]=4 965 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100011626353_100000210303 [0,1,0,0,0,0|3,0,0]=4 966 B9R0.51 CCCOC(C)(C)C(=O)N 7a_100011626353_100000210303 [0,1,0,0,0,0|3,0,0]=4 967 B9R0.51 CCCOC(F)(F)C(=O)[O-] 34a_100000210258_100020612412 [0,1,0,0,0,0|2,0,1]=4 968 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,1,0,0,0,0|3,0,0]=4 970 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [0,1,0,0,0,0|3,0,0]=4 971 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [0,1,0,0,0,0|3,0,0]=4 972 B9R0.51 CCCSC(F)(F)C(=O)N 62a_100000210303_100009811971 [0,1,0,0,0,0|3,0,0]=4 973 B9R0.51 CCCSC(F)(F)C(=O)N 62a_100009811971_100000210303 [0,1,0,0,0,0|3,0,0]=4 974 B9R0.51 CCCSC(F)(F)C(=O)[O-] 62a_100000210303_100000745680 [0,1,0,0,0,0|2,0,1]=4 975 B9R0.51 CCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210303 [0,1,0,0,0,0|2,0,1]=4 976 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [0,1,0,0,0,0|3,0,0]=4 977 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [0,1,0,0,0,0|3,0,0]=4 978 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,1,0,0,0,0|2,0,0]=3 979 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,1,0,0,0,0|2,0,0]=3 980 B9R0.51 CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210202 [0,1,0,0,0,0|3,0,0]=4 981 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [0,1,0,0,0,0|3,0,0]=4 982 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [0,1,0,0,0,0|3,0,0]=4 983 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [0,1,0,0,0,0|3,0,0]=4 984 B9R0.51 O=C(O)C(F)(F)CNCF 269956a_100000734215_100015361967 [0,1,0,0,0,0|3,0,0]=4 985 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|2,0,1]=4 986 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,1,0,0|2,0,1]=4 987 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|2,0,0]=3 988 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|2,0,0]=3 989 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|2,0,0]=3 990 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|3,0,0]=4 991 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|3,0,0]=4 992 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,1,0,0|3,0,0]=4 993 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,1,0,0|3,0,0]=4 994 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,1,0,0|3,0,0]=4 995 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,1,0,0|3,0,0]=4 996 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,1,0,0|3,0,0]=4 997 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|2,0,1]=4 998 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|2,0,0]=3 999 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|2,0,0]=3 1000 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|3,0,0]=4 1001 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,1,0,0|3,0,0]=4 1002 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,1,0,0|3,0,0]=4 1003 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,1,0,0|3,0,0]=4 1004 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,1,0,0|3,0,0]=4 1005 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,1,0,0|2,0,1]=4 1006 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,0|3,0,0]=4 1007 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,0|3,0,0]=4 1008 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|3,0,0]=4 1009 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|3,0,0]=4 1010 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|3,0,0]=4 1011 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 1012 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 1013 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 1014 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,0|3,0,0]=4 1015 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,1,0,0|2,0,1]=4 1016 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,0|3,0,0]=4 1017 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 1018 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 1019 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 1020 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|3,0,0]=4 1021 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|3,0,0]=4 1022 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|3,0,0]=4 1023 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|3,0,0]=4 1024 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|3,0,0]=4 1025 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|3,0,0]=4 1026 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|3,0,0]=4 1027 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|3,0,0]=4 1028 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|3,0,0]=4 1029 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,0,1,0,0|3,0,0]=4 1030 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,0,0,1,0,0|3,0,0]=4 1031 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,0,0,1,0,0|3,0,0]=4 1032 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,0,0,1,0,0|3,0,0]=4 1033 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,0,0,1,0,0|3,0,0]=4 1034 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [0,0,0,1,0,0|3,0,0]=4 1035 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,0,1,0,0|2,0,0]=3 1036 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,0,0,1,0,0|3,0,0]=4 1037 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,0,0,1,0,0|3,0,0]=4 1038 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,0,1,0,0|3,0,0]=4 1039 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,0,1,0,0|2,0,0]=3 1040 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,0,0,1,0,0|3,0,0]=4 1041 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,0,0,1,0,0|3,0,0]=4 1042 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,0,0,1,0,0|3,0,0]=4 1043 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,0,0,1,0,0|3,0,0]=4 1044 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,0,0,1,0,0|3,0,0]=4 1045 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [0,0,0,1,0,0|3,0,0]=4 1046 B9R1.110 NC(=O)C(F)N1CCC1 269982a_100000754969_100009813875 [0,0,0,1,0,0|3,0,0]=4 1047 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,0,0,1,0,0|3,0,0]=4 1048 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,0,0,1,0,0|3,0,0]=4 1049 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,0,0,1,0,0|3,0,0]=4 1050 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,0,0,1,0,0|3,0,0]=4 1051 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,0,0,1,0,0|3,0,0]=4 1052 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,0,0,1,0,0|3,0,0]=4 1053 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,0,0,1,0,0|3,0,0]=4 1054 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,0,0,1,0,0|3,0,0]=4 1055 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,0,0,1,0,0|3,0,0]=4 1056 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [0,0,0,1,0,0|3,0,0]=4 1057 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,0|2,0,0]=3 1058 B9R1.112 NC(=O)C(F)NC1CC1 34a_100000212008_100009813875 [0,0,0,1,0,0|3,0,0]=4 1059 B9R1.112 NC(=O)C(F)SC1CC1 62a_100009813875_100000211595 [0,0,0,1,0,0|3,0,0]=4 1060 B9R1.112 O=C([O-])C(F)NC1CC1 34a_100000212008_100020610796 [0,0,0,1,0,0|2,0,1]=4 1061 B9R1.112 O=C([O-])C(F)SC1CC1 62a_100020610796_100000211595 [0,0,0,1,0,0|2,0,1]=4 1062 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,0,0,1,0,0|2,0,0]=3 1063 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,0,0,1,0,0|2,0,0]=3 1064 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,0,0,1,0,0|3,0,0]=4 1065 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,0,0,1,0,0|2,0,0]=3 1066 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,0,0,1,0,0|3,0,0]=4 1067 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,0,0,1,0,0|2,0,0]=3 1068 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,0,0,0,0,1|2,0,1]=4 1069 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,0,0,0,0,1|2,0,1]=4 1070 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,0,0,0,0,1|1,0,2]=4 1071 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,0,0,0,0,1|2,0,0]=3 1072 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,0,0,0,0,1|2,0,0]=3 1073 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,0,0,0,0,1|2,0,0]=3 1074 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,0,0,0,0,1|2,0,0]=3 1075 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,0,0,0,0,1|3,0,0]=4 1076 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,0,0,0,0,1|3,0,0]=4 1077 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,0,0,0,0,1|3,0,0]=4 1078 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,0,0,0,0,1|2,0,0]=3 1079 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,0,0,0,0,1|2,0,1]=4 1080 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,0,0,0,0,1|3,0,0]=4 1081 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,0,0,0,0,1|3,0,0]=4 1082 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,0,0,0,0,1|2,0,0]=3 1083 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,0,0,0,0,1|3,0,0]=4 1084 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,0,0,0,0,1|3,0,0]=4 1085 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,0,0,0,0,1|3,0,0]=4 1086 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,0,0,0,0,1|3,0,0]=4 1087 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,0,0,0,0,1|3,0,0]=4 1088 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,0,0,0,0,1|3,0,0]=4 1089 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [2,0,0,0,0,0|2,0,0]=4 1090 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [2,0,0,0,0,0|2,0,0]=4 1091 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 1092 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|2,0,0]=4 1093 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1094 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1095 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 1096 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 1097 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [2,0,0,0,0,0|2,0,0]=4 1098 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|2,0,0]=4 1099 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|2,0,0]=4 1100 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 1101 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 1102 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 1103 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 1104 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 1105 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 1106 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 1107 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|1,0,1]=4 1108 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|1,0,1]=4 1109 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 1110 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,0,0,0,0|2,0,0]=4 1111 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,0,0,0,0|2,0,0]=4 1112 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,0,0,0,0|2,0,0]=4 1113 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,0,0,0,0|2,0,0]=4 1114 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 1115 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 1116 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|1,0,1]=4 1117 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 1118 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 1119 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|2,0,0]=4 1120 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [2,0,0,0,0,0|1,0,1]=4 1121 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|2,0,0]=4 1122 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 1123 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|1,0,1]=4 1124 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|1,0,1]=4 1125 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 1126 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 1127 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 1128 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,0,0,0,0|2,0,0]=4 1129 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,0,0,0,0|2,0,0]=4 1130 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,0,0,0,0|2,0,0]=4 1131 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,0,0,0,0|2,0,0]=4 1132 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 1133 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|1,0,1]=4 1134 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|1,0,1]=4 1135 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|1,0,1]=4 1136 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [2,0,0,0,0,0|2,0,0]=4 1137 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [2,0,0,0,0,0|2,0,0]=4 1138 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [2,0,0,0,0,0|2,0,0]=4 1139 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [2,0,0,0,0,0|2,0,0]=4 1140 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 1141 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 1142 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 1143 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1144 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1145 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|1,0,1]=4 1146 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|1,0,1]=4 1147 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|1,0,1]=4 1148 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 1149 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|2,0,0]=4 1150 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|1,0,1]=4 1151 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 1152 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 1153 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 1154 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 1155 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|1,0,1]=4 1156 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|1,0,1]=4 1157 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 1158 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|2,0,0]=4 1159 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|2,0,0]=4 1160 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|1,0,1]=4 1161 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 1162 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 1163 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|1,0,1]=4 1164 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|1,0,1]=4 1165 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|1,0,1]=4 1166 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|1,0,1]=4 1167 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 1168 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|2,0,0]=4 1169 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 1170 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|2,0,0]=4 1171 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|2,0,0]=4 1172 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 1173 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 1174 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 1175 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|2,0,0]=4 1176 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 1177 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 1178 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 1179 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|2,0,0]=4 1180 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|2,0,0]=4 1181 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|2,0,0]=4 1182 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|2,0,0]=4 1183 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|2,0,0]=4 1184 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|2,0,0]=4 1185 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|2,0,0]=4 1186 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|2,0,0]=4 1187 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|2,0,0]=4 1188 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|2,0,0]=4 1189 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|2,0,0]=4 1190 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|2,0,0]=4 1191 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|2,0,0]=4 1192 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|2,0,0]=4 1193 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|2,0,0]=4 1194 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|2,0,0]=4 1195 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 1196 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|2,0,0]=4 1197 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 1198 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|2,0,0]=4 1199 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1200 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|2,0,0]=4 1201 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1202 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1203 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1204 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|2,0,0]=4 1205 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|2,0,0]=4 1206 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|2,0,0]=4 1207 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|2,0,0]=4 1208 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,1]=4 1209 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,1]=4 1210 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 1211 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,1]=4 1212 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 1213 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 1214 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,1]=4 1215 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,1]=4 1216 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,1]=4 1217 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 1218 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,1]=4 1219 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,1]=4 1220 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 1221 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 1222 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 1223 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 1224 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 1225 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,1]=4 1226 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 1227 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,1]=4 1228 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 1229 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 1230 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 1231 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 1232 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 1233 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,1]=4 1234 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 1235 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 1236 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 1237 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 1238 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 1239 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 1240 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 1241 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 1242 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 1243 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 1244 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 1245 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 1246 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 1247 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 1248 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 1249 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 1250 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,1]=4 1251 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|2,0,0]=4 1252 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|2,0,0]=4 1253 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|2,0,0]=4 1254 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|2,0,0]=4 1255 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|2,0,0]=4 1256 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|2,0,0]=4 1257 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|2,0,0]=4 1258 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [1,1,0,0,0,0|2,0,0]=4 1259 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 1260 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 1261 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 1262 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 1263 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|2,0,0]=4 1264 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|2,0,0]=4 1265 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|0,0,1]=3 1266 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|0,0,1]=3 1267 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|1,0,1]=4 1268 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|1,0,1]=4 1269 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|1,0,1]=4 1270 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [1,1,0,0,0,0|2,0,0]=4 1271 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [1,1,0,0,0,0|2,0,0]=4 1272 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [1,1,0,0,0,0|2,0,0]=4 1273 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [1,1,0,0,0,0|2,0,0]=4 1274 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,1,0,0,0,0|2,0,0]=4 1275 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,1,0,0,0,0|2,0,0]=4 1276 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,1,0,0,0,0|2,0,0]=4 1277 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|1,0,0]=3 1278 B8R0.6 C=C[C@H](N)COCCF 34a_100016989147_100011217306 [1,1,0,0,0,0|2,0,0]=4 1279 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [1,1,0,0,0,0|2,0,0]=4 1280 B8R0.6 C=C[C@H](N)COCSC 34a_100016989147_100011218213 [1,1,0,0,0,0|2,0,0]=4 1281 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,1,0,0,0,0|1,0,1]=4 1282 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,1,0,0,0,0|1,0,1]=4 1283 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,1,0,0,0,0|1,0,1]=4 1284 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 1285 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 1286 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,1,0,0,0,0|1,0,1]=4 1287 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,1,0,0,0,0|1,0,1]=4 1288 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,1,0,0,0,0|1,0,1]=4 1289 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,1,0,0,0,0|1,0,1]=4 1290 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [1,1,0,0,0,0|1,0,1]=4 1291 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,1,0,0,0,0|1,0,1]=4 1292 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,1,0,0,0,0|1,0,1]=4 1293 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|1,0,1]=4 1294 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,1,0,0,0,0|1,0,1]=4 1295 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,1,0,0,0,0|1,0,1]=4 1296 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,1,0,0,0,0|1,0,1]=4 1297 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,1,0,0,0,0|1,0,1]=4 1298 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,1,0,0,0,0|1,0,1]=4 1299 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,1,0,0,0,0|1,0,1]=4 1300 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,1,0,0,0,0|1,0,1]=4 1301 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 1302 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 1303 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [1,1,0,0,0,0|1,0,1]=4 1304 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [1,1,0,0,0,0|2,0,0]=4 1305 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,1,0,0,0,0|2,0,0]=4 1306 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,1,0,0,0,0|2,0,0]=4 1307 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,1,0,0,0,0|2,0,0]=4 1308 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,1,0,0,0,0|2,0,0]=4 1309 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [1,1,0,0,0,0|1,0,1]=4 1310 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [1,1,0,0,0,0|1,0,1]=4 1311 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [1,1,0,0,0,0|1,0,1]=4 1312 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [1,1,0,0,0,0|0,0,1]=3 1313 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [1,1,0,0,0,0|0,0,1]=3 1314 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [1,1,0,0,0,0|0,0,1]=3 1315 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|0,0,1]=3 1316 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [1,1,0,0,0,0|2,0,0]=4 1317 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [1,1,0,0,0,0|2,0,0]=4 1318 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [1,1,0,0,0,0|2,0,0]=4 1319 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [1,1,0,0,0,0|1,0,1]=4 1320 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [1,1,0,0,0,0|1,0,1]=4 1321 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 1322 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 1323 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 1324 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 1325 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 1326 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|0,0,2]=4 1327 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 1328 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 1329 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 1330 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 1331 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 1332 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 1333 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 1334 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 1335 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 1336 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 1337 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,0]=3 1338 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|1,0,1]=4 1339 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1340 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1341 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|2,0,0]=4 1342 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|2,0,0]=4 1343 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|2,0,0]=4 1344 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|2,0,0]=4 1345 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|2,0,0]=4 1346 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,0]=3 1347 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 1348 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|2,0,0]=4 1349 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|2,0,0]=4 1350 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,0]=3 1351 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,1,0,0,0,0|1,0,1]=4 1352 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,1,0,0,0,0|1,0,1]=4 1353 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,1,0,0,0,0|1,0,1]=4 1354 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,1,0,0,0,0|0,0,2]=4 1355 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|0,0,2]=4 1356 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,1,0,0,0,0|2,0,0]=4 1357 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|2,0,0]=4 1358 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|2,0,0]=4 1359 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|2,0,0]=4 1360 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|2,0,0]=4 1361 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|2,0,0]=4 1362 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|2,0,0]=4 1363 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|2,0,0]=4 1364 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|2,0,0]=4 1365 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|2,0,0]=4 1366 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|2,0,0]=4 1367 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|2,0,0]=4 1368 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,1,0,0,0,0|2,0,0]=4 1369 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,1,0,0,0,0|2,0,0]=4 1370 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,1,0,0,0,0|2,0,0]=4 1371 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,1,0,0,0,0|2,0,0]=4 1372 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,1,0,0,0,0|2,0,0]=4 1373 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,1,0,0,0,0|2,0,0]=4 1374 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,1,0,0,0,0|2,0,0]=4 1375 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|1,0,1]=4 1376 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|1,0,1]=4 1377 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|1,0,1]=4 1378 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,1,0,0,0,0|0,0,2]=4 1379 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [1,1,0,0,0,0|0,0,2]=4 1380 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,1,0,0,0,0|1,0,1]=4 1381 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,0]=3 1382 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,0]=3 1383 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,0]=3 1384 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,0]=3 1385 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,0]=3 1386 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 1387 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 1388 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|2,0,0]=4 1389 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|2,0,0]=4 1390 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 1391 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 1392 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|2,0,0]=4 1393 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|2,0,0]=4 1394 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 1395 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 1396 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|2,0,0]=4 1397 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|2,0,0]=4 1398 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|2,0,0]=4 1399 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|2,0,0]=4 1400 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,1,0,0,0,0|2,0,0]=4 1401 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|2,0,0]=4 1402 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|2,0,0]=4 1403 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|2,0,0]=4 1404 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|2,0,0]=4 1405 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|2,0,0]=4 1406 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|2,0,0]=4 1407 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|2,0,0]=4 1408 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|2,0,0]=4 1409 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|2,0,0]=4 1410 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|1,0,1]=4 1411 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|1,0,1]=4 1412 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|1,0,1]=4 1413 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|1,0,1]=4 1414 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|1,0,1]=4 1415 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|1,0,0]=3 1416 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|1,0,0]=3 1417 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|1,0,0]=3 1418 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 1419 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 1420 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 1421 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,0]=3 1422 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,0,0,0,0|1,0,0]=3 1423 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,0,0,0,0|1,0,0]=3 1424 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,0,0,0,0|1,0,0]=3 1425 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|0,0,0]=2 1426 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 1427 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 1428 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 1429 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 1430 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 1431 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 1432 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|2,0,0]=4 1433 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,0]=3 1434 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,0]=3 1435 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,0]=3 1436 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 1437 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 1438 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,0]=3 1439 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,0,0,0,0|0,0,1]=3 1440 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 1441 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 1442 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 1443 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 1444 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [1,1,0,0,0,0|1,0,1]=4 1445 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,0]=3 1446 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,0,0,0,0|1,0,0]=3 1447 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,0,0,0,0|1,0,0]=3 1448 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,0]=3 1449 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,0,0,0,0|0,0,1]=3 1450 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,0,0,0,0|0,0,1]=3 1451 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,1]=4 1452 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,1]=4 1453 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,1]=4 1454 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,1]=4 1455 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [1,1,0,0,0,0|1,0,1]=4 1456 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 1457 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,1,0,0,0,0|1,0,0]=3 1458 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,0]=3 1459 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 1460 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 1461 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|1,0,0]=3 1462 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 1463 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 1464 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,1]=4 1465 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|2,0,0]=4 1466 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,0]=3 1467 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,0]=3 1468 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,0,0,0,0|1,0,0]=3 1469 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,0,0,0,0|1,0,0]=3 1470 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,0,1]=4 1471 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,0,1]=4 1472 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|2,0,0]=4 1473 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|2,0,0]=4 1474 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,0,0,0,0|1,0,0]=3 1475 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,1]=4 1476 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|2,0,0]=4 1477 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|2,0,0]=4 1478 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|2,0,0]=4 1479 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,1,0,0,0,0|2,0,0]=4 1480 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,1,0,0,0,0|2,0,0]=4 1481 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,0]=3 1482 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 1483 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,0]=3 1484 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 1485 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|1,0,0]=3 1486 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 1487 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [1,1,0,0,0,0|1,0,1]=4 1488 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 1489 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|2,0,0]=4 1490 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 1491 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|2,0,0]=4 1492 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|2,0,0]=4 1493 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,1,0,0,0,0|2,0,0]=4 1494 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|2,0,0]=4 1495 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,1,0,0,0,0|2,0,0]=4 1496 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,1,0,0,0,0|2,0,0]=4 1497 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,0,0,0,0|1,0,0]=3 1498 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,1,0,0,0,0|2,0,0]=4 1499 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,1,0,0,0,0|2,0,0]=4 1500 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,1,0,0,0,0|1,0,1]=4 1501 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,1,0,0,0,0|1,0,1]=4 1502 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,0]=3 1503 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,0]=3 1504 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|1,0,0]=3 1505 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|1,0,0]=3 1506 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|1,0,1]=4 1507 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 1508 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 1509 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 1510 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 1511 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|2,0,0]=4 1512 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|2,0,0]=4 1513 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|2,0,0]=4 1514 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,1,0,0,0,0|2,0,0]=4 1515 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,1,0,0,0,0|2,0,0]=4 1516 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|2,0,0]=4 1517 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1518 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,1,0,0,0,0|2,0,0]=4 1519 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,1,0,0,0,0|2,0,0]=4 1520 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [1,1,0,0,0,0|1,0,1]=4 1521 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [1,1,0,0,0,0|1,0,1]=4 1522 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [1,1,0,0,0,0|1,0,1]=4 1523 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,0]=3 1524 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,0]=3 1525 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|1,0,0]=3 1526 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|2,0,0]=4 1527 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|2,0,0]=4 1528 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|2,0,0]=4 1529 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 1530 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|2,0,0]=4 1531 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 1532 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 1533 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [1,1,0,0,0,0|2,0,0]=4 1534 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 1535 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|1,0,0]=3 1536 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,1,0,0,0,0|1,0,1]=4 1537 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,0]=3 1538 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,0]=3 1539 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 1540 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 1541 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,1,0,0,0,0|1,0,1]=4 1542 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,1,0,0,0,0|1,0,1]=4 1543 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 1544 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 1545 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|2,0,0]=4 1546 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|2,0,0]=4 1547 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|2,0,0]=4 1548 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|2,0,0]=4 1549 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,1,0,0,0,0|2,0,0]=4 1550 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,1,0,0,0,0|2,0,0]=4 1551 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|1,0,0]=3 1552 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|2,0,0]=4 1553 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|2,0,0]=4 1554 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,1,0,0,0,0|2,0,0]=4 1555 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,1,0,0,0,0|2,0,0]=4 1556 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|2,0,0]=4 1557 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,1,0,0,0,0|1,0,1]=4 1558 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,1,0,0,0,0|2,0,0]=4 1559 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,1,0,0,0,0|2,0,0]=4 1560 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,1,0,0,0,0|1,0,1]=4 1561 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,1,0,0,0,0|1,0,1]=4 1562 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [1,1,0,0,0,0|2,0,0]=4 1563 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|2,0,0]=4 1564 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|2,0,0]=4 1565 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,1,0,0,0,0|2,0,0]=4 1566 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,1,0,0,0,0|2,0,0]=4 1567 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [1,1,0,0,0,0|1,0,1]=4 1568 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [1,1,0,0,0,0|1,0,1]=4 1569 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,0]=3 1570 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,0]=3 1571 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 1572 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 1573 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 1574 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|2,0,0]=4 1575 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|2,0,0]=4 1576 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|2,0,0]=4 1577 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|2,0,0]=4 1578 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|2,0,0]=4 1579 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [1,1,0,0,0,0|2,0,0]=4 1580 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [1,1,0,0,0,0|2,0,0]=4 1581 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,0,0,0,0|1,0,0]=3 1582 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|2,0,0]=4 1583 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 1584 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,1,0,0,0,0|2,0,0]=4 1585 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,1,0,0,0,0|2,0,0]=4 1586 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 1587 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,1,0,0,0,0|1,0,1]=4 1588 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [1,1,0,0,0,0|2,0,0]=4 1589 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [1,1,0,0,0,0|2,0,0]=4 1590 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,1,0,0,0,0|1,0,1]=4 1591 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,1,0,0,0,0|1,0,1]=4 1592 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [1,1,0,0,0,0|2,0,0]=4 1593 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|2,0,0]=4 1594 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,1,0,0,0,0|2,0,0]=4 1595 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|2,0,0]=4 1596 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|2,0,0]=4 1597 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,1,0,0,0,0|2,0,0]=4 1598 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,1,0,0,0,0|2,0,0]=4 1599 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,1,0,0,0,0|1,0,1]=4 1600 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,1,0,0,0,0|2,0,0]=4 1601 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,1,0,0,0,0|2,0,0]=4 1602 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,1,0,0,0,0|2,0,0]=4 1603 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,1,0,0,0,0|2,0,0]=4 1604 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,1,0,0,0,0|2,0,0]=4 1605 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,1,0,0,0,0|2,0,0]=4 1606 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,1,0,0,0,0|2,0,0]=4 1607 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 1608 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 1609 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 1610 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 1611 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,1,0,0,0,0|2,0,0]=4 1612 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,1,0,0,0,0|2,0,0]=4 1613 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,1,0,0,0,0|2,0,0]=4 1614 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,1,0,0,0,0|2,0,0]=4 1615 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,1,0,0,0,0|2,0,0]=4 1616 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,1,0,0,0,0|2,0,0]=4 1617 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,1,0,0,0,0|2,0,0]=4 1618 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,1,0,0,0,0|2,0,0]=4 1619 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,1,0,0,0,0|2,0,0]=4 1620 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,1,0,0,0,0|2,0,0]=4 1621 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,1,0,0,0,0|2,0,0]=4 1622 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,1,0,0,0,0|2,0,0]=4 1623 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,1,0,0,0,0|2,0,0]=4 1624 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,1,0,0,0,0|2,0,0]=4 1625 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,1,0,0,0,0|2,0,0]=4 1626 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,1,0,0,0,0|2,0,0]=4 1627 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,1,0,0,0,0|1,0,1]=4 1628 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,1,0,0,0,0|2,0,0]=4 1629 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|1,0,0]=3 1630 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|1,0,0]=3 1631 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,1,0,0,0,0|2,0,0]=4 1632 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,1,0,0,0,0|2,0,0]=4 1633 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,1,0,0,0,0|1,0,1]=4 1634 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,1,0,0,0,0|1,0,1]=4 1635 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,1,0,0,0,0|1,0,1]=4 1636 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,1,0,0,0,0|1,0,1]=4 1637 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,1,0,0,0,0|1,0,1]=4 1638 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,1,0,0,0,0|1,0,1]=4 1639 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,1,0,0,0,0|1,0,1]=4 1640 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,1,0,0,0,0|1,0,1]=4 1641 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,0]=3 1642 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|2,0,0]=4 1643 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|1,0,0]=3 1644 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|1,0,0]=3 1645 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 1646 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 1647 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,1,0,0,0,0|1,0,1]=4 1648 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,1,0,0,0,0|1,0,1]=4 1649 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [1,1,0,0,0,0|1,0,1]=4 1650 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [1,1,0,0,0,0|1,0,1]=4 1651 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,1,0,0,0,0|2,0,0]=4 1652 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,1,0,0,0,0|2,0,0]=4 1653 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,1,0,0,0,0|1,0,1]=4 1654 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|1,0,1]=4 1655 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,1]=4 1656 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|1,0,0]=3 1657 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|1,0,0]=3 1658 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|1,0,0]=3 1659 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|2,0,0]=4 1660 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|2,0,0]=4 1661 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|2,0,0]=4 1662 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 1663 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 1664 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|2,0,0]=4 1665 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|2,0,0]=4 1666 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|2,0,0]=4 1667 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|2,0,0]=4 1668 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|2,0,0]=4 1669 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|2,0,0]=4 1670 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|2,0,0]=4 1671 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 1672 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 1673 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 1674 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|2,0,0]=4 1675 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|2,0,0]=4 1676 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|2,0,0]=4 1677 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,1,0,0,0,0|2,0,0]=4 1678 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,1,0,0,0,0|1,0,1]=4 1679 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|1,0,0]=3 1680 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,1,0,0,0,0|2,0,0]=4 1681 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,1,0,0,0,0|2,0,0]=4 1682 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,1,0,0,0,0|2,0,0]=4 1683 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|1,0,0]=3 1684 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,1,0,0,0,0|1,0,1]=4 1685 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,1,0,0,0,0|2,0,0]=4 1686 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|2,0,0]=4 1687 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,1,0,0,0,0|1,0,1]=4 1688 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,1,0,0,0,0|2,0,0]=4 1689 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,1,0,0,0,0|2,0,0]=4 1690 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,1,0,0,0,0|1,0,1]=4 1691 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,1,0,0,0,0|1,0,1]=4 1692 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,1,0,0,0,0|2,0,0]=4 1693 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,1,0,0,0,0|2,0,0]=4 1694 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,1,0,0,0,0|2,0,0]=4 1695 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,1,0,0,0,0|2,0,0]=4 1696 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 1697 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 1698 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,1,0,0,0,0|2,0,0]=4 1699 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,1,0,0,0,0|2,0,0]=4 1700 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,1,0,0,0,0|2,0,0]=4 1701 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,1,0,0,0,0|1,0,1]=4 1702 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,1,0,0,0,0|2,0,0]=4 1703 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,1,0,0,0,0|2,0,0]=4 1704 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 1705 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|1,0,0]=3 1706 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|1,0,1]=4 1707 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,1,0,0,0,0|2,0,0]=4 1708 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,1,0,0,0,0|2,0,0]=4 1709 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,1,0,0,0,0|1,0,1]=4 1710 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,1,0,0,0,0|1,0,1]=4 1711 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 1712 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|1,0,0]=3 1713 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|1,0,0]=3 1714 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,1,0,0,0,0|2,0,0]=4 1715 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,1,0,0,0,0|1,0,1]=4 1716 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,1,0,0,0,0|2,0,0]=4 1717 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,1,0,0,0,0|1,0,1]=4 1718 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,1,0,0,0,0|2,0,0]=4 1719 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|1,0,0]=3 1720 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,1,0,0,0,0|2,0,0]=4 1721 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,1,0,0,0,0|2,0,0]=4 1722 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,1,0,0,0,0|1,0,1]=4 1723 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,1,0,0,0,0|1,0,1]=4 1724 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [1,1,0,0,0,0|2,0,0]=4 1725 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [1,1,0,0,0,0|2,0,0]=4 1726 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [1,1,0,0,0,0|2,0,0]=4 1727 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [1,1,0,0,0,0|2,0,0]=4 1728 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [1,1,0,0,0,0|2,0,0]=4 1729 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [1,1,0,0,0,0|2,0,0]=4 1730 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [1,1,0,0,0,0|2,0,0]=4 1731 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [1,1,0,0,0,0|2,0,0]=4 1732 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [1,1,0,0,0,0|2,0,0]=4 1733 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [1,1,0,0,0,0|2,0,0]=4 1734 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,1,0,0,0,0|2,0,0]=4 1735 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,1,0,0,0,0|2,0,0]=4 1736 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,1,0,0,0,0|2,0,0]=4 1737 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,1,0,0,0,0|2,0,0]=4 1738 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,1,0,0,0,0|2,0,0]=4 1739 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,1,0,0,0,0|2,0,0]=4 1740 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,1,0,0,0,0|2,0,0]=4 1741 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,1,0,0,0,0|2,0,0]=4 1742 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,1,0,0,0,0|1,0,0]=3 1743 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,1,0,0,0,0|1,0,0]=3 1744 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|0,0,0]=2 1745 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,1,0,0,0,0|1,0,0]=3 1746 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,1,0,0,0,0|1,0,0]=3 1747 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|0,0,0]=2 1748 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,0,0,0,0|2,0,0]=4 1749 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,0,0,0,0|2,0,0]=4 1750 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,0,0,0,0|1,0,0]=3 1751 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,1,0,0,0,0|1,0,0]=3 1752 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,1,0,0,0,0|1,0,0]=3 1753 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,1,0,0,0,0|1,0,0]=3 1754 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,0,0,0,0|1,0,0]=3 1755 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,1,0,0,0,0|1,0,0]=3 1756 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [1,1,0,0,0,0|2,0,0]=4 1757 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [1,1,0,0,0,0|2,0,0]=4 1758 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [1,1,0,0,0,0|2,0,0]=4 1759 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [1,1,0,0,0,0|2,0,0]=4 1760 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,0,0,0,1|2,0,0]=4 1761 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,0,0,0,1|2,0,0]=4 1762 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,0,0,0,1|2,0,0]=4 1763 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,0,0,0,1|2,0,0]=4 1764 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,1,0,0,0,1|2,0,0]=4 1765 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,1,0,0,0,1|2,0,0]=4 1766 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,1,0,0,0,1|2,0,0]=4 1767 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,1,0,0,0,1|1,0,0]=3 1768 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,1,0,0,0,1|2,0,0]=4 1769 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,1,0,0,0,1|2,0,0]=4 1770 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,1,0,0,0,1|2,0,0]=4 1771 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,1,0,0,0,1|2,0,0]=4 1772 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,1,0,0,0,1|2,0,0]=4 1773 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,1,0,0,0,1|2,0,0]=4 1774 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,1,0,0,0,1|2,0,0]=4 1775 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,1,0,0,0,1|2,0,0]=4 1776 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,1,0,0,0,1|2,0,0]=4 1777 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,1,0,0,0,1|2,0,0]=4 1778 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,1,0,0,0,1|2,0,0]=4 1779 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,1,0,0,0,1|1,0,1]=4 1780 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,1,0,0,0,1|1,0,1]=4 1781 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,1,0,0,0,1|2,0,0]=4 1782 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,1,0,0,0,1|2,0,0]=4 1783 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,1,0,0,0,1|2,0,0]=4 1784 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,1,0,0,0,1|2,0,0]=4 1785 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,1,0,0,0,1|1,0,0]=3 1786 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,1,0,0,0,1|1,0,0]=3 1787 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,1,0,0,0,1|2,0,0]=4 1788 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,1,0,0,0,1|2,0,0]=4 1789 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,1,0,0,0,1|2,0,0]=4 1790 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,1,0,0,0,1|2,0,0]=4 1791 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,1,0,0,0,1|2,0,0]=4 1792 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,1,0,0,0,1|2,0,0]=4 1793 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,1,0,0,0,1|2,0,0]=4 1794 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,1,0,0,0,1|2,0,0]=4 1795 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,1,0,0,0,1|2,0,0]=4 1796 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,1,0,0,0,1|2,0,0]=4 1797 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,1,0,0,0,1|2,0,0]=4 1798 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,1,0,0,0,1|2,0,0]=4 1799 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,1,0,0,0,1|2,0,0]=4 1800 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,1,0,0,0,1|2,0,0]=4 1801 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,1,0,0,0,1|2,0,0]=4 1802 B10R0.32 CCCC(C)N(C)CC(=O)O 269956a_100000746989_100000766640 [0,1,0,0,0,1|2,0,0]=4 1803 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,1,0,0,0,1|2,0,0]=4 1804 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,1,0,0,0,1|2,0,0]=4 1805 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,1,0,0,0,1|2,0,0]=4 1806 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,1,0,0,0,1|2,0,0]=4 1807 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,1,0,0,0,1|2,0,0]=4 1808 B10R0.44 CCC(O)CN(C)CC(=O)O 269956a_100000746989_100011218378 [0,1,0,0,0,1|2,0,0]=4 1809 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,1,0,0,0,1|2,0,0]=4 1810 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,1,0,0,0,1|2,0,0]=4 1811 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,1,0,0,0,1|2,0,0]=4 1812 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [0,1,0,0,0,1|2,0,0]=4 1813 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,1,0,0,0,1|2,0,0]=4 1814 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,1,0,0,0,1|2,0,0]=4 1815 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [0,1,0,0,0,1|2,0,0]=4 1816 B10R0.87 CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210207 [0,1,0,0,0,1|2,0,0]=4 1817 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,1,0,0,0,1|2,0,0]=4 1818 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,1,0,0,0,1|2,0,0]=4 1819 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,1,0,0,0,1|2,0,0]=4 1820 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,1,0,0,0,1|2,0,0]=4 1821 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,1,0,0,0,1|2,0,0]=4 1822 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,1,0,0,0,1|2,0,0]=4 1823 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,1,0,0,0,1|2,0,0]=4 1824 B10R0.122 CCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210207 [0,1,0,0,0,1|2,0,0]=4 1825 B10R0.13 CC(C(=O)O)N(C)C[C@@H](C)O 269956a_100000749554_100009817552 [0,2,0,0,0,0|2,0,0]=4 1826 B10R0.13 CC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000210760 [0,2,0,0,0,0|2,0,0]=4 1827 B10R0.13 CC(C)O[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210206 [0,2,0,0,0,0|2,0,0]=4 1828 B10R0.13 CC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218427 [0,2,0,0,0,0|2,0,0]=4 1829 B10R0.25 CCC[C@@H](NC)C(O)C(=O)N 2230a_200132311066_200000210301 [0,2,0,0,0,0|2,0,0]=4 1830 B10R0.25 CCC[C@@H](N[13CH3])C(O)C(=O)N 2230a_200132311066_200025704644 [0,2,0,0,0,0|2,0,0]=4 1831 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,2,0,0,0,0|1,0,1]=4 1832 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,2,0,0,0,0|1,0,1]=4 1833 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210303 [0,2,0,0,0,0|2,0,0]=4 1834 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000747261_100000211248 [0,2,0,0,0,0|2,0,0]=4 1835 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210303 [0,2,0,0,0,0|2,0,0]=4 1836 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000747261_100000211248 [0,2,0,0,0,0|2,0,0]=4 1837 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100000210202 [0,2,0,0,0,0|2,0,0]=4 1838 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210202 [0,2,0,0,0,0|1,0,0]=3 1839 B10R0.35 COC(=O)[C@@H](N)[C@@H](C)OCF 34a_100000004424_100015361967 [0,2,0,0,0,0|2,0,0]=4 1840 B10R0.56 CCC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000758301 [0,2,0,0,0,0|2,0,0]=4 1841 B10R0.101 CCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210207 [0,2,0,0,0,0|2,0,0]=4 1842 B10R0.101 CCC[C@@H](N)C(OC)C(=O)N 34a_200132311066_200000210301 [0,2,0,0,0,0|2,0,0]=4 1843 B10R0.101 CCC[C@@H](N)C(O[13CH3])C(=O)N 34a_200132311066_200025704644 [0,2,0,0,0,0|2,0,0]=4 1844 B10R0.43 CC(=O)C(C)(C)CCC(C)C 1458a_100000070787_200000037585 [0,2,0,0,0,0|2,0,0]=4 1845 B10R0.43 CC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000210206 [0,2,0,0,0,0|2,0,0]=4 1846 B10R0.43 CC(C)NCC(F)(F)C(=O)O 269956a_100000734215_100000210206 [0,2,0,0,0,0|2,0,0]=4 1847 B10R0.57 C#CC(=O)C(C)CCC(C)C 1458a_100000211873_100011261404 [0,2,0,0,0,0|2,0,0]=4 1848 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,2,0,0,0,0|2,0,0]=4 1849 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,2,0,0,0,0|1,0,0]=3 1850 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,2,0,0,0,0|2,0,0]=4 1851 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,2,0,0,0,0|2,0,0]=4 1852 B10R0.57 CC(C)OCC(N)C(=O)NN 34a_100016989258_100000210206 [0,2,0,0,0,0|2,0,0]=4 1853 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|2,0,0]=4 1854 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,2,0,0,0,0|1,0,1]=4 1855 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,2,0,0,0,0|2,0,0]=4 1856 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,2,0,0,0,0|2,0,0]=4 1857 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,2,0,0,0,0|2,0,0]=4 1858 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,2,0,0,0,0|2,0,0]=4 1859 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,2,0,0,0,0|2,0,0]=4 1860 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,2,0,0,0,0|2,0,0]=4 1861 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,2,0,0,0,0|2,0,0]=4 1862 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,2,0,0,0,0|2,0,0]=4 1863 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,2,0,0,0,0|2,0,0]=4 1864 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,2,0,0,0,0|2,0,0]=4 1865 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 1866 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 1867 B10R0.57 COC(=O)C(C)OCC(C)Br 34a_100012180447_100000211248 [0,2,0,0,0,0|2,0,0]=4 1868 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,2,0,0,0,0|2,0,0]=4 1869 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,2,0,0,0,0|2,0,0]=4 1870 B10R0.57 COC(=O)C(C)OCC(C)F 34a_100015925927_100000211248 [0,2,0,0,0,0|2,0,0]=4 1871 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,2,0,0,0,0|2,0,0]=4 1872 B10R0.57 COC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000211248 [0,2,0,0,0,0|2,0,0]=4 1873 B10R0.57 COC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000211248 [0,2,0,0,0,0|2,0,0]=4 1874 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,2,0,0,0,0|2,0,0]=4 1875 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,2,0,0,0,0|2,0,0]=4 1876 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,2,0,0,0,0|2,0,0]=4 1877 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,2,0,0,0,0|2,0,0]=4 1878 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,2,0,0,0,0|2,0,0]=4 1879 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,2,0,0,0,0|2,0,0]=4 1880 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,2,0,0,0,0|2,0,0]=4 1881 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,2,0,0,0,0|2,0,0]=4 1882 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,2,0,0,0,0|1,0,0]=3 1883 B10R0.82 C#CC(C)NCC(C)C(=O)O 269956a_100000749485_200000035995 [0,2,0,0,0,0|2,0,0]=4 1884 B10R0.82 C#CC(C)NCC(F)C(=O)O 269956a_100000084737_200000035995 [0,2,0,0,0,0|2,0,0]=4 1885 B10R0.82 C#CC(C)OC[C@H](N)C(=O)N 34a_100000729942_200000035995 [0,2,0,0,0,0|2,0,0]=4 1886 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,2,0,0,0,0|2,0,0]=4 1887 B10R0.82 C=CC(C)NCC(F)C(=O)O 269956a_100000084737_100011215867 [0,2,0,0,0,0|2,0,0]=4 1888 B10R0.82 CC(C#N)NCC(C)C(=O)O 269956a_100000749485_100000184139 [0,2,0,0,0,0|2,0,0]=4 1889 B10R0.82 CC(C#N)NCC(F)C(=O)O 269956a_100000084737_100000184139 [0,2,0,0,0,0|2,0,0]=4 1890 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,2,0,0,0,0|2,0,0]=4 1891 B10R0.82 CC(CO)OC[C@H](N)C(=O)N 34a_100000729942_100012180447 [0,2,0,0,0,0|2,0,0]=4 1892 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,2,0,0,0,0|1,0,1]=4 1893 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,2,0,0,0,0|2,0,0]=4 1894 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,2,0,0,0,0|2,0,0]=4 1895 B10R0.82 CCC(C)CNC(F)C(=O)N 2230a_100020588543_100009813875 [0,2,0,0,0,0|2,0,0]=4 1896 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,2,0,0,0,0|1,0,0]=3 1897 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,2,0,0,0,0|2,0,0]=4 1898 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,2,0,0,0,0|2,0,0]=4 1899 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,2,0,0,0,0|2,0,0]=4 1900 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,2,0,0,0,0|2,0,0]=4 1901 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,2,0,0,0,0|1,0,1]=4 1902 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,2,0,0,0,0|2,0,0]=4 1903 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,2,0,0,0,0|2,0,0]=4 1904 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,2,0,0,0,0|2,0,0]=4 1905 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,2,0,0,0,0|2,0,0]=4 1906 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,2,0,0,0,0|2,0,0]=4 1907 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,2,0,0,0,0|2,0,0]=4 1908 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100000748023_100009813875 [0,2,0,0,0,0|2,0,0]=4 1909 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100009813875_100000748023 [0,2,0,0,0,0|2,0,0]=4 1910 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100000748023_100020610796 [0,2,0,0,0,0|1,0,1]=4 1911 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000748023 [0,2,0,0,0,0|1,0,1]=4 1912 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,2,0,0,0,0|1,0,0]=3 1913 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,2,0,0,0,0|1,0,0]=3 1914 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,2,0,0,0,0|2,0,0]=4 1915 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,2,0,0,0,0|2,0,0]=4 1916 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,2,0,0,0,0|1,0,0]=3 1917 B10R0.82 CCC(O)CNC(C)C(=O)C 2230a_100011218483_100009814033 [0,2,0,0,0,0|2,0,0]=4 1918 B10R0.82 CCC(O)CNC(C)C(=O)N 2230a_100011218483_100000702099 [0,2,0,0,0,0|2,0,0]=4 1919 B10R0.82 CCC(O)CNC(F)C(=O)N 2230a_100011218483_100009813875 [0,2,0,0,0,0|2,0,0]=4 1920 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,2,0,0,0,0|1,0,0]=3 1921 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218378 [0,2,0,0,0,0|2,0,0]=4 1922 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218378 [0,2,0,0,0,0|2,0,0]=4 1923 B10R0.82 CCC(O)COC(C)C(=O)C 34a_100000212229_100011218378 [0,2,0,0,0,0|2,0,0]=4 1924 B10R0.82 CCC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218378 [0,2,0,0,0,0|1,0,1]=4 1925 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218378 [0,2,0,0,0,0|2,0,0]=4 1926 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218378 [0,2,0,0,0,0|2,0,0]=4 1927 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100009814033_100011218378 [0,2,0,0,0,0|2,0,0]=4 1928 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100011218378_100009814033 [0,2,0,0,0,0|2,0,0]=4 1929 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100000702099_100011218378 [0,2,0,0,0,0|2,0,0]=4 1930 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100011218378_100000702099 [0,2,0,0,0,0|2,0,0]=4 1931 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100009813875_100011218378 [0,2,0,0,0,0|2,0,0]=4 1932 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100011218378_100009813875 [0,2,0,0,0,0|2,0,0]=4 1933 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100011218378_100020610796 [0,2,0,0,0,0|1,0,1]=4 1934 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218378 [0,2,0,0,0,0|1,0,1]=4 1935 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,2,0,0,0,0|1,0,0]=3 1936 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,2,0,0,0,0|2,0,0]=4 1937 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,2,0,0,0,0|2,0,0]=4 1938 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,2,0,0,0,0|2,0,0]=4 1939 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,2,0,0,0,0|2,0,0]=4 1940 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,2,0,0,0,0|2,0,0]=4 1941 B10R0.82 CC[C@H](C)COC(F)C(=O)N 7a_100009816381_100009813875 [0,2,0,0,0,0|2,0,0]=4 1942 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,2,0,0,0,0|1,0,1]=4 1943 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,2,0,0,0,0|2,0,0]=4 1944 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,2,0,0,0,0|2,0,0]=4 1945 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,2,0,0,0,0|2,0,0]=4 1946 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,2,0,0,0,0|2,0,0]=4 1947 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,2,0,0,0,0|2,0,0]=4 1948 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,2,0,0,0,0|2,0,0]=4 1949 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009813875_100009816398 [0,2,0,0,0,0|2,0,0]=4 1950 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009816398_100009813875 [0,2,0,0,0,0|2,0,0]=4 1951 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100009816398_100020610796 [0,2,0,0,0,0|1,0,1]=4 1952 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100020610796_100009816398 [0,2,0,0,0,0|1,0,1]=4 1953 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,2,0,0,0,0|2,0,0]=4 1954 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,2,0,0,0,0|2,0,0]=4 1955 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,2,0,0,0,0|2,0,0]=4 1956 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,2,0,0,0,0|2,0,0]=4 1957 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,2,0,0,0,0|2,0,0]=4 1958 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,2,0,0,0,0|2,0,0]=4 1959 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,2,0,0,0,0|2,0,0]=4 1960 B10R0.84 C=C[C@H](NCC(C)C)C(=O)O 269956a_100016992060_100000210760 [0,2,0,0,0,0|2,0,0]=4 1961 B10R0.84 C=C[C@H](NCC(C)O)C(=O)O 269956a_100016992060_100011218427 [0,2,0,0,0,0|2,0,0]=4 1962 B10R0.84 C=C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100016992060_100009817552 [0,2,0,0,0,0|2,0,0]=4 1963 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,2,0,0,0,0|0,0,2]=4 1964 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,2,0,0,0,0|2,0,0]=4 1965 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,2,0,0,0,0|2,0,0]=4 1966 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,2,0,0,0,0|2,0,0]=4 1967 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,2,0,0,0,0|2,0,0]=4 1968 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,2,0,0,0,0|2,0,0]=4 1969 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,2,0,0,0,0|0,0,2]=4 1970 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,2,0,0,0,0|1,0,0]=3 1971 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,2,0,0,0,0|1,0,0]=3 1972 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,2,0,0,0,0|1,0,0]=3 1973 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,2,0,0,0,0|2,0,0]=4 1974 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,2,0,0,0,0|1,0,0]=3 1975 B10R0.92 CC(C)(C)NCC(F)C(=O)O 269956a_100000084737_100000211941 [0,2,0,0,0,0|2,0,0]=4 1976 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210625 [0,2,0,0,0,0|2,0,0]=4 1977 B10R0.92 CC(CNC(C)(C)C)C(=O)O 269956a_100000749485_100000211941 [0,2,0,0,0,0|2,0,0]=4 1978 B10R0.92 C[C@H](NCC(C)(C)C)C(=O)O 269956a_100000743915_100011219605 [0,2,0,0,0,0|2,0,0]=4 1979 B10R0.92 C[C@H](NCC(C)(C)F)C(=O)O 269956a_100000743915_100011997219 [0,2,0,0,0,0|2,0,0]=4 1980 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,2,0,0,0,0|2,0,0]=4 1981 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [0,2,0,0,0,0|2,0,0]=4 1982 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [0,2,0,0,0,0|2,0,0]=4 1983 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [0,2,0,0,0,0|2,0,0]=4 1984 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,2,0,0,0,0|2,0,0]=4 1985 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,2,0,0,0,0|2,0,0]=4 1986 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,2,0,0,0,0|2,0,0]=4 1987 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,2,0,0,0,0|2,0,0]=4 1988 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|2,0,0]=4 1989 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [0,2,0,0,0,0|2,0,0]=4 1990 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [0,2,0,0,0,0|2,0,0]=4 1991 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [0,2,0,0,0,0|2,0,0]=4 1992 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [0,2,0,0,0,0|2,0,0]=4 1993 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [0,2,0,0,0,0|2,0,0]=4 1994 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|2,0,0]=4 1995 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|2,0,0]=4 1996 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|2,0,0]=4 1997 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|1,0,0]=3 1998 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|1,0,0]=3 1999 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|1,0,0]=3 2000 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|1,1,0]=4 2001 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 2002 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 2003 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 2004 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,2,0,0,0,0|2,0,0]=4 2005 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [0,2,0,0,0,0|2,0,0]=4 2006 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|2,0,0]=4 2007 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|2,0,0]=4 2008 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|1,0,0]=3 2009 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 2010 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 2011 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [0,2,0,0,0,0|2,0,0]=4 2012 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,2,0,0,0,0|2,0,0]=4 2013 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 2014 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 2015 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 2016 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,2,0,0,0,0|2,0,0]=4 2017 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 2018 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|2,0,0]=4 2019 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|2,0,0]=4 2020 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|2,0,0]=4 2021 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|2,0,0]=4 2022 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|2,0,0]=4 2023 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|2,0,0]=4 2024 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|2,0,0]=4 2025 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,2,0,0,0,0|2,0,0]=4 2026 B10R0.46 CCC(C)CN(C)C(=O)CO 240690a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 2027 B10R0.46 CCC(C)CN(C)C(=O)CO 527a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 2028 B10R0.46 CCC(C)NC(C)C(=O)OC 2230a_100000209981_100000211248 [0,2,0,0,0,0|2,0,0]=4 2029 B10R0.46 CCC(C)OC(C)C(=O)OC 34a_100011215400_100011215416 [0,2,0,0,0,0|2,0,0]=4 2030 B10R0.46 CCC(C)OC(C)C(=O)OC 7a_100000210228_100000211248 [0,2,0,0,0,0|2,0,0]=4 2031 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000211248_100000758301 [0,2,0,0,0,0|2,0,0]=4 2032 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000758301_100000211248 [0,2,0,0,0,0|2,0,0]=4 2033 B10R0.46 CCN(C)CC(C)C(=O)OC 269982a_100000225621_100000698445 [0,2,0,0,0,0|2,0,0]=4 2034 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,2,0,0,0,0|2,0,0]=4 2035 B10R0.83 C#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000184674 [0,2,0,0,0,0|0,0,2]=4 2036 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|1,0,1]=4 2037 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|1,0,1]=4 2038 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|1,0,1]=4 2039 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|2,0,0]=4 2040 B10R0.83 C=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015514636 [0,2,0,0,0,0|0,0,2]=4 2041 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|2,0,0]=4 2042 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|2,0,0]=4 2043 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|2,0,0]=4 2044 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|1,0,0]=3 2045 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|2,0,0]=4 2046 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 2047 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 2048 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|2,0,0]=4 2049 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|2,0,0]=4 2050 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|2,0,0]=4 2051 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 2052 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 2053 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 2054 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 2055 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|2,0,0]=4 2056 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|2,0,0]=4 2057 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,2,0,0,0,0|2,0,0]=4 2058 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,2,0,0,0,0|2,0,0]=4 2059 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|1,0,0]=3 2060 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|1,0,0]=3 2061 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,2,0,0,0,0|2,0,0]=4 2062 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,2,0,0,0,0|2,0,0]=4 2063 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,2,0,0,0,0|2,0,0]=4 2064 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,2,0,0,0,0|2,0,0]=4 2065 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|2,0,0]=4 2066 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,2,0,0,0,0|2,0,0]=4 2067 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,2,0,0,0,0|2,0,0]=4 2068 B10R0.83 CCCCOC(C)C(=O)NN 34a_100000725659_100000210210 [0,2,0,0,0,0|2,0,0]=4 2069 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|1,0,0]=3 2070 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|1,0,0]=3 2071 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|1,0,0]=3 2072 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,2,0,0,0,0|2,0,0]=4 2073 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,2,0,0,0,0|2,0,0]=4 2074 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|2,0,0]=4 2075 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|2,0,0]=4 2076 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|2,0,0]=4 2077 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,2,0,0,0,0|2,0,0]=4 2078 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,2,0,0,0,0|2,0,0]=4 2079 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,2,0,0,0,0|2,0,0]=4 2080 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,2,0,0,0,0|2,0,0]=4 2081 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,2,0,0,0,0|2,0,0]=4 2082 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,2,0,0,0,0|2,0,0]=4 2083 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,2,0,0,0,0|2,0,0]=4 2084 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|1,0,0]=3 2085 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|1,0,0]=3 2086 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,2,0,0,0,0|2,0,0]=4 2087 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,2,0,0,0,0|2,0,0]=4 2088 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,2,0,0,0,0|2,0,0]=4 2089 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,2,0,0,0,0|2,0,0]=4 2090 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,1]=4 2091 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|1,0,0]=3 2092 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|1,0,0]=3 2093 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|1,0,0]=3 2094 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|1,0,0]=3 2095 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,2,0,0,0,0|1,0,0]=3 2096 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|0,0,0]=2 2097 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,1]=4 2098 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,1]=4 2099 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|1,0,0]=3 2100 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|1,0,0]=3 2101 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|1,0,0]=3 2102 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|1,0,0]=3 2103 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [0,2,0,0,0,0|2,0,0]=4 2104 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [0,2,0,0,0,0|2,0,0]=4 2105 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|1,0,0]=3 2106 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|1,0,0]=3 2107 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,2,0,0,0,0|2,0,0]=4 2108 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,2,0,0,0,0|2,0,0]=4 2109 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,2,0,0,0,0|2,0,0]=4 2110 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,2,0,0,0,0|2,0,0]=4 2111 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,2,0,0,0,0|2,0,0]=4 2112 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 2113 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 2114 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 2115 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,2,0,0,0,0|2,0,0]=4 2116 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 2117 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 2118 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,2,0,0,0,0|2,0,0]=4 2119 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,2,0,0,0,0|2,0,0]=4 2120 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,2,0,0,0,0|2,0,0]=4 2121 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 2122 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,2,0,0,0,0|2,0,0]=4 2123 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,2,0,0,0,0|2,0,0]=4 2124 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,2,0,0,0,0|2,0,0]=4 2125 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 2126 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 2127 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,2,0,0,0,0|2,0,0]=4 2128 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,2,0,0,0,0|2,0,0]=4 2129 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,2,0,0,0,0|2,0,0]=4 2130 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,2,0,0,0,0|2,0,0]=4 2131 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,2,0,0,0,0|2,0,0]=4 2132 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|2,0,0]=4 2133 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,2,0,0,0,0|2,0,0]=4 2134 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|2,0,0]=4 2135 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|2,0,0]=4 2136 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|2,0,0]=4 2137 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,2,0,0,0,0|2,0,0]=4 2138 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,2,0,0,0,0|2,0,0]=4 2139 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,2,0,0,0,0|2,0,0]=4 2140 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,2,0,0,0,0|2,0,0]=4 2141 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,2,0,0,0,0|2,0,0]=4 2142 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,2,0,0,0,0|2,0,0]=4 2143 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,2,0,0,0,0|2,0,0]=4 2144 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,2,0,0,0,0|2,0,0]=4 2145 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,2,0,0,0,0|2,0,0]=4 2146 B10R0.83 COC(=O)[C@H](N)COCC=O 34a_100000003586_200009817547 [0,2,0,0,0,0|1,0,1]=4 2147 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,2,0,0,0,0|1,0,0]=3 2148 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,2,0,0,0,0|1,0,0]=3 2149 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,0,0,0,0|1,0,0]=3 2150 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 2151 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 2152 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,2,0,0,0,0|2,0,0]=4 2153 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,2,0,0,0,0|2,0,0]=4 2154 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,2,0,0,0,0|2,0,0]=4 2155 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,2,0,0,0,0|2,0,0]=4 2156 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,2,0,0,0,0|2,0,0]=4 2157 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,2,0,0,0,0|2,0,0]=4 2158 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,2,0,0,0,0|2,0,0]=4 2159 B10R0.83 CSCOCC(N)C(=O)NN 34a_100016989258_100011218213 [0,2,0,0,0,0|2,0,0]=4 2160 B10R0.83 NNC(=O)C(N)COCCF 34a_100016989258_100011217306 [0,2,0,0,0,0|2,0,0]=4 2161 B10R0.83 NNC(=O)C(N)COCCO 34a_100016989258_100000211926 [0,2,0,0,0,0|2,0,0]=4 2162 B10R0.85 C#CC(=O)C(CC)CCCC 1458a_100000211873_200011216223 [0,2,0,0,0,0|2,0,0]=4 2163 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [0,2,0,0,0,0|2,0,0]=4 2164 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,2,0,0,0,0|2,0,0]=4 2165 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,2,0,0,0,0|2,0,0]=4 2166 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [0,2,0,0,0,0|2,0,0]=4 2167 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,2,0,0,0,0|1,0,0]=3 2168 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [0,2,0,0,0,0|2,0,0]=4 2169 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [0,2,0,0,0,0|2,0,0]=4 2170 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [0,2,0,0,0,0|2,0,0]=4 2171 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [0,2,0,0,0,0|2,0,0]=4 2172 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,2,0,0,0,0|0,0,0]=2 2173 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,2,0,0,0,0|0,0,0]=2 2174 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,2,0,0,0,0|0,0,0]=2 2175 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,2,0,0,0,0|1,0,0]=3 2176 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,2,0,0,0,0|1,0,0]=3 2177 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,2,0,0,0,0|1,0,0]=3 2178 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,2,0,0,0,0|1,0,0]=3 2179 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,2,0,0,0,0|1,0,0]=3 2180 B10R0.85 CCCCN(CC)C(=O)CO 240690a_100000207695_100000210174 [0,2,0,0,0,0|2,0,0]=4 2181 B10R0.85 CCCCN(CC)C(=O)CO 527a_100000207695_100000210174 [0,2,0,0,0,0|2,0,0]=4 2182 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [0,2,0,0,0,0|2,0,0]=4 2183 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [0,2,0,0,0,0|2,0,0]=4 2184 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [0,2,0,0,0,0|2,0,0]=4 2185 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [0,2,0,0,0,0|2,0,0]=4 2186 B10R0.85 CCCOC(CN)C(=O)OC 34a_100000695228_100000210303 [0,2,0,0,0,0|1,0,0]=3 2187 B10R0.85 CCCOC(CO)C(=O)OC 34a_100000210258_100012276630 [0,2,0,0,0,0|2,0,0]=4 2188 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000036821_100000210303 [0,2,0,0,0,0|2,0,0]=4 2189 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000210258_100000101307 [0,2,0,0,0,0|2,0,0]=4 2190 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [0,2,0,0,0,0|2,0,0]=4 2191 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [0,2,0,0,0,0|2,0,0]=4 2192 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [0,2,0,0,0,0|2,0,0]=4 2193 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [0,2,0,0,0,0|2,0,0]=4 2194 B10R0.85 CCCSC(CO)C(=O)OC 62a_100000210303_100012276630 [0,2,0,0,0,0|2,0,0]=4 2195 B10R0.85 CCCSC(CO)C(=O)OC 62a_100012276630_100000210303 [0,2,0,0,0,0|2,0,0]=4 2196 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000101307_100000210303 [0,2,0,0,0,0|2,0,0]=4 2197 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000210303_100000101307 [0,2,0,0,0,0|2,0,0]=4 2198 B10R0.85 COC(=O)C(CN)OCCF 34a_100000695228_100011217306 [0,2,0,0,0,0|2,0,0]=4 2199 B10R0.85 COC(=O)C(CN)OCCO 34a_100000695228_100000211926 [0,2,0,0,0,0|2,0,0]=4 2200 B10R0.85 COC(=O)C(CN)OCSC 34a_100000695228_100011218213 [0,2,0,0,0,0|2,0,0]=4 2201 B10R0.124 CCCCC(C)(C)C(=O)CC 1458a_100011216040_100000210202 [0,2,0,0,0,0|2,0,0]=4 2202 B10R0.124 CCCCC(C)(C)C(=O)CF 1458a_100011216040_100015361967 [0,2,0,0,0,0|2,0,0]=4 2203 B10R0.124 CCCCC(C)(C)C(=O)NC 11a_106832991635_100011216040 [0,2,0,0,0,0|2,0,0]=4 2204 B10R0.124 CCCCC(C)(C)C(=O)NC 1626a_100102657272_100011216040 [0,2,0,0,0,0|2,0,0]=4 2205 B10R0.124 CCCCC(C)(C)C(=O)NC 240690a_100102657272_100011216040 [0,2,0,0,0,0|2,0,0]=4 2206 B10R0.124 CCCCC(C)(C)C(=O)NC 527a_100102657272_100011216040 [0,2,0,0,0,0|2,0,0]=4 2207 B10R0.124 CCCCC(C)(O)C(=O)CC 1458a_100000137666_100000210202 [0,2,0,0,0,0|2,0,0]=4 2208 B10R0.124 CCCCC(C)(O)C(=O)CF 1458a_100000137666_100015361967 [0,2,0,0,0,0|2,0,0]=4 2209 B10R0.124 CCCCC(C)(O)C(=O)NC 240690a_100102657272_100000137666 [0,2,0,0,0,0|2,0,0]=4 2210 B10R0.124 CCCCC(F)(F)C(=O)CC 1458a_100000100317_100000210202 [0,2,0,0,0,0|2,0,0]=4 2211 B10R0.124 CCCCC(F)(F)C(=O)CF 1458a_100000100317_100015361967 [0,2,0,0,0,0|2,0,0]=4 2212 B10R0.124 CCCCC(F)(F)C(=O)NC 11a_106832991635_100000100317 [0,2,0,0,0,0|2,0,0]=4 2213 B10R0.124 CCCCC(F)(F)C(=O)NC 1626a_100102657272_100000100317 [0,2,0,0,0,0|2,0,0]=4 2214 B10R0.124 CCCCC(F)(F)C(=O)NC 240690a_100102657272_100000100317 [0,2,0,0,0,0|2,0,0]=4 2215 B10R0.124 CCCCC(F)(F)C(=O)NC 527a_100102657272_100000100317 [0,2,0,0,0,0|2,0,0]=4 2216 B10R0.124 CCCOC(C)(C)C(=O)OC 34a_100011217581_100000210303 [0,2,0,0,0,0|2,0,0]=4 2217 B10R0.124 CCCOC(C)(C)C(=O)OC 7a_100011217581_100000210303 [0,2,0,0,0,0|2,0,0]=4 2218 B10R0.124 CCCOC(C)(F)C(=O)OC 34a_100000210258_200009867631 [0,2,0,0,0,0|2,0,0]=4 2219 B10R0.124 CCCOC(F)(F)C(=O)OC 34a_100000210258_100000211177 [0,2,0,0,0,0|2,0,0]=4 2220 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000210303_100000689032 [0,2,0,0,0,0|2,0,0]=4 2221 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000689032_100000210303 [0,2,0,0,0,0|2,0,0]=4 2222 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_100000210303_200009867631 [0,2,0,0,0,0|2,0,0]=4 2223 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_200009867631_100000210303 [0,2,0,0,0,0|2,0,0]=4 2224 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000210303_100000211177 [0,2,0,0,0,0|2,0,0]=4 2225 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000211177_100000210303 [0,2,0,0,0,0|2,0,0]=4 2226 B10R0.124 CCOCC(C)(C)C(=O)OC 34a_100000709632_100000210202 [0,2,0,0,0,0|2,0,0]=4 2227 B10R0.124 CCOCC(C)(C)C(=O)OC 7a_100000709632_100000210202 [0,2,0,0,0,0|2,0,0]=4 2228 B10R0.124 CCOCC(F)(F)C(=O)OC 34a_100121572206_100010295740 [0,2,0,0,0,0|2,0,0]=4 2229 B10R0.124 CCSCC(C)(C)C(=O)OC 62a_100000210202_100000684552 [0,2,0,0,0,0|2,0,0]=4 2230 B10R0.124 CCSCC(C)(C)C(=O)OC 62a_100000684552_100000210202 [0,2,0,0,0,0|2,0,0]=4 2231 B10R0.124 CCSCC(F)(F)C(=O)OC 62a_100000210202_100010295740 [0,2,0,0,0,0|2,0,0]=4 2232 B10R0.124 CCSCC(F)(F)C(=O)OC 62a_100010295740_100000210202 [0,2,0,0,0,0|2,0,0]=4 2233 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [0,2,0,0,0,0|1,0,0]=3 2234 B10R0.17 CCCCC(C(=O)N)N(C)C 2230a_100102631434_100000748834 [0,2,0,0,0,0|1,0,0]=3 2235 B10R0.17 CCCCC(C(=O)N)N(C)C 269982a_100102631434_100000748834 [0,2,0,0,0,0|1,0,0]=3 2236 B10R0.17 CCCNC(C(=O)N)C(=O)N 2230a_100000025885_100000210303 [0,2,0,0,0,0|2,0,0]=4 2237 B10R0.17 CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210207 [0,2,0,0,0,0|2,0,0]=4 2238 B10R0.17 CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210207 [0,2,0,0,0,0|2,0,0]=4 2239 B10R0.53 C=C[C@H](NC(C)CC)C(=O)O 269956a_100016992060_100000758301 [0,2,0,0,0,0|2,0,0]=4 2240 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,2,0,0,0,0|2,0,0]=4 2241 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,2,0,0,0,0|2,0,0]=4 2242 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,2,0,0,0,0|1,0,0]=3 2243 B10R0.86 C=C[C@H](NCCCF)C(=O)O 269956a_100016992060_100011934791 [0,2,0,0,0,0|2,0,0]=4 2244 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [0,2,0,0,0,0|2,0,0]=4 2245 B10R0.86 C=C[C@H](NCCOC)C(=O)O 269956a_100016992060_100000233755 [0,2,0,0,0,0|2,0,0]=4 2246 B10R0.86 C=C[C@H](NCCSC)C(=O)O 269956a_100016992060_100000212216 [0,2,0,0,0,0|2,0,0]=4 2247 B10R0.86 C=C[C@H](NCOCC)C(=O)O 269956a_100016992060_100000739092 [0,2,0,0,0,0|2,0,0]=4 2248 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|2,0,0]=4 2249 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|2,0,0]=4 2250 B10R0.86 CCCCNC(C#N)C(=O)N 2230a_100000039599_100000210211 [0,2,0,0,0,0|1,0,1]=4 2251 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,2,0,0,0,0|2,0,0]=4 2252 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,2,0,0,0,0|2,0,0]=4 2253 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,2,0,0,0,0|2,0,0]=4 2254 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,2,0,0,0,0|2,0,0]=4 2255 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,2,0,0,0,0|1,0,0]=3 2256 B10R0.86 CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210211 [0,2,0,0,0,0|2,0,0]=4 2257 B10R0.86 CCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|2,0,0]=4 2258 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,2,0,0,0,0|1,0,0]=3 2259 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,2,0,0,0,0|2,0,0]=4 2260 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,2,0,0,0,0|2,0,0]=4 2261 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,2,0,0,0,0|2,0,0]=4 2262 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,2,0,0,0,0|2,0,0]=4 2263 B10R0.86 CCOCNC(CO)C(=O)O 269956a_100000187304_100000739092 [0,2,0,0,0,0|2,0,0]=4 2264 B10R0.86 CCOCN[C@H](CC)C(=O)O 269956a_100000747097_100000739092 [0,2,0,0,0,0|2,0,0]=4 2265 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,2,0,0,0,0|2,0,0]=4 2266 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,2,0,0,0,0|2,0,0]=4 2267 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [0,2,0,0,0,0|2,0,0]=4 2268 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [0,2,0,0,0,0|2,0,0]=4 2269 B10R0.86 COCCNC(CO)C(=O)O 269956a_100000187304_100000233755 [0,2,0,0,0,0|2,0,0]=4 2270 B10R0.86 CSCCNC(CO)C(=O)O 269956a_100000187304_100000212216 [0,2,0,0,0,0|2,0,0]=4 2271 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,2,0,0,0,0|2,0,0]=4 2272 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,2,0,0,0,0|2,0,0]=4 2273 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,2,0,0,0,0|2,0,0]=4 2274 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,2,0,0,0,0|1,0,0]=3 2275 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [0,2,0,0,0,0|2,0,0]=4 2276 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [0,2,0,0,0,0|2,0,0]=4 2277 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [0,2,0,0,0,0|2,0,0]=4 2278 B10R0.88 CCCCC(SCF)C(=O)N 62a_100000748834_100015361967 [0,2,0,0,0,0|2,0,0]=4 2279 B10R0.88 CCCCC(SCF)C(=O)N 62a_100015361967_100000748834 [0,2,0,0,0,0|2,0,0]=4 2280 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,2,0,0,0,0|1,0,0]=3 2281 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,2,0,0,0,0|1,0,0]=3 2282 B10R0.88 CCCC[C@H](NCF)C(=O)N 34a_100000124899_100015361967 [0,2,0,0,0,0|1,0,0]=3 2283 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [0,2,0,0,0,0|2,0,0]=4 2284 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [0,2,0,0,0,0|2,0,0]=4 2285 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [0,2,0,0,0,0|2,0,0]=4 2286 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [0,2,0,0,0,0|2,0,0]=4 2287 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [0,2,0,0,0,0|2,0,0]=4 2288 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [0,2,0,0,0,0|2,0,0]=4 2289 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,2,0,0,0,0|1,0,0]=3 2290 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,2,0,0,0,0|1,0,0]=3 2291 B10R0.88 CSCC[C@H](NCF)C(=O)N 34a_100000119342_100015361967 [0,2,0,0,0,0|2,0,0]=4 2292 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,2,0,0,0,0|1,0,0]=3 2293 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [0,2,0,0,0,0|1,0,0]=3 2294 B10R0.133 CCCNC(C)(CC)C(=O)O 269956a_100025756313_100000210207 [0,2,0,0,0,0|2,0,0]=4 2295 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,2,0,0,0,0|2,0,0]=4 2296 B10R0.26 CCCC(C)NC(C)C(=O)C 2230a_100000741246_100009814033 [0,2,0,0,0,0|2,0,0]=4 2297 B10R0.26 CCCC(C)NC(C)C(=O)N 2230a_100000741246_100000702099 [0,2,0,0,0,0|2,0,0]=4 2298 B10R0.26 CCCC(C)NC(F)C(=O)N 2230a_100000741246_100009813875 [0,2,0,0,0,0|2,0,0]=4 2299 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,0,0,0,0|1,0,0]=3 2300 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000766640 [0,2,0,0,0,0|2,0,0]=4 2301 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000211909 [0,2,0,0,0,0|2,0,0]=4 2302 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 34a_100000119354_100000766640 [0,2,0,0,0,0|2,0,0]=4 2303 B10R0.26 CCCC(C)OC(C)C(=O)C 34a_100000212229_100000766640 [0,2,0,0,0,0|2,0,0]=4 2304 B10R0.26 CCCC(C)OC(C)C(=O)C 7a_100000764384_100000179758 [0,2,0,0,0,0|2,0,0]=4 2305 B10R0.26 CCCC(C)OC(C)C(=O)N 34a_100000764384_100000702099 [0,2,0,0,0,0|2,0,0]=4 2306 B10R0.26 CCCC(C)OC(C)C(=O)N 7a_100000764384_100000702099 [0,2,0,0,0,0|2,0,0]=4 2307 B10R0.26 CCCC(C)OC(F)C(=O)N 34a_100000764384_100009813875 [0,2,0,0,0,0|2,0,0]=4 2308 B10R0.26 CCCC(C)OC(F)C(=O)N 7a_100000764384_100009813875 [0,2,0,0,0,0|2,0,0]=4 2309 B10R0.26 CCCC(C)OC(F)C(=O)[O-] 34a_100000764384_100020610796 [0,2,0,0,0,0|1,0,1]=4 2310 B10R0.26 CCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000766640 [0,2,0,0,0,0|1,0,1]=4 2311 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 34a_100000731257_100000766640 [0,2,0,0,0,0|2,0,0]=4 2312 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000766640 [0,2,0,0,0,0|2,0,0]=4 2313 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100000766640_100009814033 [0,2,0,0,0,0|2,0,0]=4 2314 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100009814033_100000766640 [0,2,0,0,0,0|2,0,0]=4 2315 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000702099_100000766640 [0,2,0,0,0,0|2,0,0]=4 2316 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000766640_100000702099 [0,2,0,0,0,0|2,0,0]=4 2317 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100000766640_100009813875 [0,2,0,0,0,0|2,0,0]=4 2318 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100009813875_100000766640 [0,2,0,0,0,0|2,0,0]=4 2319 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100000766640_100020610796 [0,2,0,0,0,0|1,0,1]=4 2320 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000766640 [0,2,0,0,0,0|1,0,1]=4 2321 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,2,0,0,0,0|2,0,0]=4 2322 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,2,0,0,0,0|2,0,0]=4 2323 B10R0.72 CCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100000210505 [0,2,0,0,0,0|2,0,0]=4 2324 B10R0.42 CC(C)(CNCCF)C(=O)O 269956a_100000693527_100011217306 [0,2,0,0,0,0|2,0,0]=4 2325 B10R0.42 CC(C)(CNCCO)C(=O)O 269956a_100000693527_100000211926 [0,2,0,0,0,0|2,0,0]=4 2326 B10R0.42 CCCCNC(C)(C)C(=O)C 7a_106832991798_100000075568 [0,2,0,0,0,0|2,0,0]=4 2327 B10R0.42 CCCCNC(C)(C)C(=O)N 2230a_100000102301_100000702505 [0,2,0,0,0,0|2,0,0]=4 2328 B10R0.42 CCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210211 [0,2,0,0,0,0|2,0,0]=4 2329 B10R0.42 CCCCNC(C)(C)C(=O)N 34a_100000743658_100000210210 [0,2,0,0,0,0|2,0,0]=4 2330 B10R0.42 CCCCNC(C)(C)C(=O)N 7a_106832991798_100000702505 [0,2,0,0,0,0|2,0,0]=4 2331 B10R0.42 CCCCNC(F)(F)C(=O)N 7a_106832991798_100009811971 [0,2,0,0,0,0|2,0,0]=4 2332 B10R0.42 CCCCOC(C)(C)C(=O)C 34a_100000747739_100000210210 [0,2,0,0,0,0|2,0,0]=4 2333 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000210227_100000075568 [0,2,0,0,0,0|2,0,0]=4 2334 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000747739_100000210211 [0,2,0,0,0,0|2,0,0]=4 2335 B10R0.42 CCCCOC(C)(C)C(=O)N 34a_100000210227_100000702505 [0,2,0,0,0,0|2,0,0]=4 2336 B10R0.42 CCCCOC(C)(C)C(=O)N 34a_100011626353_100000210210 [0,2,0,0,0,0|2,0,0]=4 2337 B10R0.42 CCCCOC(C)(C)C(=O)N 7a_100000210227_100000702505 [0,2,0,0,0,0|2,0,0]=4 2338 B10R0.42 CCCCOC(C)(C)C(=O)N 7a_100011626353_100000210211 [0,2,0,0,0,0|2,0,0]=4 2339 B10R0.42 CCCCOC(F)(F)C(=O)N 7a_100000210227_100009811971 [0,2,0,0,0,0|2,0,0]=4 2340 B10R0.42 CCCCOC(F)(F)C(=O)[O-] 34a_100000210227_100020612412 [0,2,0,0,0,0|1,0,1]=4 2341 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000075568_100000210210 [0,2,0,0,0,0|2,0,0]=4 2342 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000210211_100000075568 [0,2,0,0,0,0|2,0,0]=4 2343 B10R0.42 CCCCSC(C)(C)C(=O)N 62a_100000210211_100000702505 [0,2,0,0,0,0|2,0,0]=4 2344 B10R0.42 CCCCSC(C)(C)C(=O)N 62a_100000702505_100000210210 [0,2,0,0,0,0|2,0,0]=4 2345 B10R0.42 CCCCSC(F)(F)C(=O)N 62a_100000210211_100009811971 [0,2,0,0,0,0|2,0,0]=4 2346 B10R0.42 CCCCSC(F)(F)C(=O)N 62a_100009811971_100000210210 [0,2,0,0,0,0|2,0,0]=4 2347 B10R0.42 CCCCSC(F)(F)C(=O)[O-] 62a_100000210211_100000745680 [0,2,0,0,0,0|1,0,1]=4 2348 B10R0.42 CCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210210 [0,2,0,0,0,0|1,0,1]=4 2349 B10R0.42 CCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210303 [0,2,0,0,0,0|2,0,0]=4 2350 B10R0.42 CCCNCC(C)(C)C(=O)N 34a_100000740840_100000210303 [0,2,0,0,0,0|2,0,0]=4 2351 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,2,0,0,0,0|1,0,0]=3 2352 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,2,0,0,0,0|1,0,0]=3 2353 B10R0.42 CCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210207 [0,2,0,0,0,0|2,0,0]=4 2354 B10R0.42 CCCOCC(C)(C)C(=O)N 34a_100000210258_200009895572 [0,2,0,0,0,0|2,0,0]=4 2355 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_100000210303_200009895572 [0,2,0,0,0,0|2,0,0]=4 2356 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_200009895572_100000210303 [0,2,0,0,0,0|2,0,0]=4 2357 B10R0.42 COCNCC(C)(C)C(=O)O 269956a_100000693527_100000766300 [0,2,0,0,0,0|2,0,0]=4 2358 B10R0.42 COCNCC(F)(F)C(=O)O 269956a_100000734215_100000766300 [0,2,0,0,0,0|2,0,0]=4 2359 B10R0.42 CSCNCC(C)(C)C(=O)O 269956a_100000693527_100011218213 [0,2,0,0,0,0|2,0,0]=4 2360 B10R0.42 CSCNCC(F)(F)C(=O)O 269956a_100000734215_100011218213 [0,2,0,0,0,0|2,0,0]=4 2361 B10R0.42 O=C(O)C(F)(F)CNCCF 269956a_100000734215_100011217306 [0,2,0,0,0,0|2,0,0]=4 2362 B10R0.42 O=C(O)C(F)(F)CNCCO 269956a_100000734215_100000211926 [0,2,0,0,0,0|2,0,0]=4 2363 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,2,0,0,0,0|1,0,1]=4 2364 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,2,0,0,0,0|1,0,1]=4 2365 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,2,0,0,0,0|1,0,1]=4 2366 B10R0.75 C#CCCOC[C@H](N)C(=O)N 34a_100000729942_100000688953 [0,2,0,0,0,0|1,0,1]=4 2367 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [0,2,0,0,0,0|1,0,1]=4 2368 B10R0.75 C/C=C/CNCC(F)C(=O)O 269956a_100000084737_100102629194 [0,2,0,0,0,0|1,0,1]=4 2369 B10R0.75 C/C=C/COC[C@H](N)C(=O)N 34a_100000729942_100102629194 [0,2,0,0,0,0|1,0,1]=4 2370 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,2,0,0,0,0|1,0,1]=4 2371 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,2,0,0,0,0|1,0,1]=4 2372 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,2,0,0,0,0|1,0,1]=4 2373 B10R0.75 C=CCCOC[C@H](N)C(=O)N 34a_100000729942_100000754431 [0,2,0,0,0,0|1,0,1]=4 2374 B10R0.75 CC#CCNCC(C)C(=O)O 269956a_100000749485_100000748600 [0,2,0,0,0,0|1,0,1]=4 2375 B10R0.75 CC#CCNCC(F)C(=O)O 269956a_100000084737_100000748600 [0,2,0,0,0,0|1,0,1]=4 2376 B10R0.75 CC#CCOC[C@H](N)C(=O)N 34a_100000729942_100000748600 [0,2,0,0,0,0|1,0,1]=4 2377 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,2,0,0,0,0|2,0,0]=4 2378 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,2,0,0,0,0|2,0,0]=4 2379 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,2,0,0,0,0|2,0,0]=4 2380 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,2,0,0,0,0|2,0,0]=4 2381 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,2,0,0,0,0|2,0,0]=4 2382 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,2,0,0,0,0|2,0,0]=4 2383 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,2,0,0,0,0|2,0,0]=4 2384 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,2,0,0,0,0|2,0,0]=4 2385 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|2,0,0]=4 2386 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,2,0,0,0,0|2,0,0]=4 2387 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,2,0,0,0,0|2,0,0]=4 2388 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,2,0,0,0,0|2,0,0]=4 2389 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,2,0,0,0,0|2,0,0]=4 2390 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,2,0,0,0,0|1,0,1]=4 2391 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,2,0,0,0,0|1,0,0]=3 2392 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,2,0,0,0,0|1,0,0]=3 2393 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 2394 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 2395 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,2,0,0,0,0|2,0,0]=4 2396 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 2397 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 2398 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,2,0,0,0,0|2,0,0]=4 2399 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,2,0,0,0,0|2,0,0]=4 2400 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,2,0,0,0,0|2,0,0]=4 2401 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 2402 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,2,0,0,0,0|2,0,0]=4 2403 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,2,0,0,0,0|2,0,0]=4 2404 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 2405 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,2,0,0,0,0|2,0,0]=4 2406 B10R0.75 CC/C=C\CN[C@@H](C)C(=O)O 269956a_100000743915_100103147603 [0,2,0,0,0,0|1,0,1]=4 2407 B10R0.75 CC=CCOC[C@H](N)C(=O)N 34a_100000729942_100000070051 [0,2,0,0,0,0|1,0,1]=4 2408 B10R0.75 CCC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100009813939 [0,2,0,0,0,0|1,0,1]=4 2409 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|2,0,0]=4 2410 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|2,0,0]=4 2411 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|2,0,0]=4 2412 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|2,0,0]=4 2413 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,2,0,0,0,0|2,0,0]=4 2414 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,2,0,0,0,0|2,0,0]=4 2415 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|1,0,0]=3 2416 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,2,0,0,0,0|2,0,0]=4 2417 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,2,0,0,0,0|2,0,0]=4 2418 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|2,0,0]=4 2419 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|2,0,0]=4 2420 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,2,0,0,0,0|2,0,0]=4 2421 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,2,0,0,0,0|2,0,0]=4 2422 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 2423 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,2,0,0,0,0|2,0,0]=4 2424 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,2,0,0,0,0|1,0,1]=4 2425 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,2,0,0,0,0|1,0,1]=4 2426 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,2,0,0,0,0|2,0,0]=4 2427 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,2,0,0,0,0|2,0,0]=4 2428 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|2,0,0]=4 2429 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|2,0,0]=4 2430 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,2,0,0,0,0|2,0,0]=4 2431 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,2,0,0,0,0|2,0,0]=4 2432 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,2,0,0,0,0|2,0,0]=4 2433 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,2,0,0,0,0|2,0,0]=4 2434 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,2,0,0,0,0|1,0,1]=4 2435 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,2,0,0,0,0|1,0,1]=4 2436 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|1,0,0]=3 2437 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|1,0,0]=3 2438 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|2,0,0]=4 2439 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|2,0,0]=4 2440 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|1,0,0]=3 2441 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [0,2,0,0,0,0|2,0,0]=4 2442 B10R0.75 CCOCCNC(C)C(=O)N 2230a_102516460346_100000702099 [0,2,0,0,0,0|2,0,0]=4 2443 B10R0.75 CCOCCNC(C)C(=O)N 34a_102516460346_100000702099 [0,2,0,0,0,0|2,0,0]=4 2444 B10R0.75 CCOCCNC(F)C(=O)N 2230a_102516460346_100009813875 [0,2,0,0,0,0|2,0,0]=4 2445 B10R0.75 CCOCCNC(F)C(=O)N 34a_102516460346_100009813875 [0,2,0,0,0,0|2,0,0]=4 2446 B10R0.75 CCOCCNC(F)C(=O)[O-] 34a_102516460346_100020610796 [0,2,0,0,0,0|1,0,1]=4 2447 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,2,0,0,0,0|1,0,0]=3 2448 B10R0.75 CCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215890 [0,2,0,0,0,0|2,0,0]=4 2449 B10R0.75 CCOCCN[C@H](C)C(=O)N 34a_100000119354_100000210147 [0,2,0,0,0,0|2,0,0]=4 2450 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [0,2,0,0,0,0|2,0,0]=4 2451 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [0,2,0,0,0,0|2,0,0]=4 2452 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [0,2,0,0,0,0|2,0,0]=4 2453 B10R0.75 CCOCCOC(C)C(=O)N 34a_100000210136_100000702099 [0,2,0,0,0,0|2,0,0]=4 2454 B10R0.75 CCOCCOC(C)C(=O)N 7a_100000210136_100000702099 [0,2,0,0,0,0|2,0,0]=4 2455 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [0,2,0,0,0,0|2,0,0]=4 2456 B10R0.75 CCOCCOC(F)C(=O)N 34a_100000210136_100009813875 [0,2,0,0,0,0|2,0,0]=4 2457 B10R0.75 CCOCCOC(F)C(=O)N 7a_100000210136_100009813875 [0,2,0,0,0,0|2,0,0]=4 2458 B10R0.75 CCOCCOC(F)C(=O)[O-] 34a_100000210136_100020610796 [0,2,0,0,0,0|1,0,1]=4 2459 B10R0.75 CCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215890 [0,2,0,0,0,0|1,0,1]=4 2460 B10R0.75 CCOCCO[C@H](C)C(=O)N 34a_100000731257_100000210147 [0,2,0,0,0,0|2,0,0]=4 2461 B10R0.75 CCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215890 [0,2,0,0,0,0|2,0,0]=4 2462 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [0,2,0,0,0,0|2,0,0]=4 2463 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [0,2,0,0,0,0|2,0,0]=4 2464 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000210147_100000702099 [0,2,0,0,0,0|2,0,0]=4 2465 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000702099_100011215890 [0,2,0,0,0,0|2,0,0]=4 2466 B10R0.75 CCOCCSC(F)C(=O)N 62a_100000210147_100009813875 [0,2,0,0,0,0|2,0,0]=4 2467 B10R0.75 CCOCCSC(F)C(=O)N 62a_100009813875_100011215890 [0,2,0,0,0,0|2,0,0]=4 2468 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100000210147_100020610796 [0,2,0,0,0,0|1,0,1]=4 2469 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215890 [0,2,0,0,0,0|1,0,1]=4 2470 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,2,0,0,0,0|1,0,0]=3 2471 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,2,0,0,0,0|1,0,0]=3 2472 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [0,2,0,0,0,0|2,0,0]=4 2473 B10R0.75 CCSCCNC(C)C(=O)N 2230a_100000106463_100000702099 [0,2,0,0,0,0|2,0,0]=4 2474 B10R0.75 CCSCCNC(F)C(=O)N 2230a_100000106463_100009813875 [0,2,0,0,0,0|2,0,0]=4 2475 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,2,0,0,0,0|1,0,0]=3 2476 B10R0.75 CCSCCN[C@H](C)C(=O)N 2230a_100000119354_100000757381 [0,2,0,0,0,0|2,0,0]=4 2477 B10R0.75 CCSCCN[C@H](C)C(=O)N 34a_100000119354_100000757381 [0,2,0,0,0,0|2,0,0]=4 2478 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [0,2,0,0,0,0|2,0,0]=4 2479 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [0,2,0,0,0,0|2,0,0]=4 2480 B10R0.75 CCSCCOC(C)C(=O)N 34a_100000212035_100000702099 [0,2,0,0,0,0|2,0,0]=4 2481 B10R0.75 CCSCCOC(C)C(=O)N 7a_100000212035_100000702099 [0,2,0,0,0,0|2,0,0]=4 2482 B10R0.75 CCSCCOC(F)C(=O)N 34a_100000212035_100009813875 [0,2,0,0,0,0|2,0,0]=4 2483 B10R0.75 CCSCCOC(F)C(=O)N 7a_100000212035_100009813875 [0,2,0,0,0,0|2,0,0]=4 2484 B10R0.75 CCSCCOC(F)C(=O)[O-] 34a_100000212035_100020610796 [0,2,0,0,0,0|1,0,1]=4 2485 B10R0.75 CCSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757381 [0,2,0,0,0,0|1,0,1]=4 2486 B10R0.75 CCSCCO[C@H](C)C(=O)N 34a_100000731257_100000757381 [0,2,0,0,0,0|2,0,0]=4 2487 B10R0.75 CCSCCO[C@H](C)C(=O)N 7a_100000731257_100000757381 [0,2,0,0,0,0|2,0,0]=4 2488 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [0,2,0,0,0,0|2,0,0]=4 2489 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [0,2,0,0,0,0|2,0,0]=4 2490 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000702099_100000757381 [0,2,0,0,0,0|2,0,0]=4 2491 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000757381_100000702099 [0,2,0,0,0,0|2,0,0]=4 2492 B10R0.75 CCSCCSC(F)C(=O)N 62a_100000757381_100009813875 [0,2,0,0,0,0|2,0,0]=4 2493 B10R0.75 CCSCCSC(F)C(=O)N 62a_100009813875_100000757381 [0,2,0,0,0,0|2,0,0]=4 2494 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100000757381_100020610796 [0,2,0,0,0,0|1,0,1]=4 2495 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100020610796_100000757381 [0,2,0,0,0,0|1,0,1]=4 2496 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,2,0,0,0,0|2,0,0]=4 2497 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,2,0,0,0,0|2,0,0]=4 2498 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,2,0,0,0,0|1,0,1]=4 2499 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [0,2,0,0,0,0|2,0,0]=4 2500 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [0,2,0,0,0,0|2,0,0]=4 2501 B10R0.75 COCCCNC(F)C(=O)[O-] 34a_100150723488_100020610796 [0,2,0,0,0,0|1,0,1]=4 2502 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,2,0,0,0,0|1,0,0]=3 2503 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [0,2,0,0,0,0|2,0,0]=4 2504 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [0,2,0,0,0,0|2,0,0]=4 2505 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,2,0,0,0,0|2,0,0]=4 2506 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,2,0,0,0,0|2,0,0]=4 2507 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,2,0,0,0,0|2,0,0]=4 2508 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,2,0,0,0,0|1,0,1]=4 2509 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,2,0,0,0,0|1,0,1]=4 2510 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,2,0,0,0,0|2,0,0]=4 2511 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,2,0,0,0,0|2,0,0]=4 2512 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,2,0,0,0,0|2,0,0]=4 2513 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,2,0,0,0,0|2,0,0]=4 2514 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [0,2,0,0,0,0|2,0,0]=4 2515 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [0,2,0,0,0,0|2,0,0]=4 2516 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [0,2,0,0,0,0|2,0,0]=4 2517 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [0,2,0,0,0,0|2,0,0]=4 2518 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100000709357_100020610796 [0,2,0,0,0,0|1,0,1]=4 2519 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100020610796_100000709357 [0,2,0,0,0,0|1,0,1]=4 2520 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,2,0,0,0,0|1,0,0]=3 2521 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,2,0,0,0,0|1,0,0]=3 2522 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,2,0,0,0,0|2,0,0]=4 2523 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,2,0,0,0,0|2,0,0]=4 2524 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,2,0,0,0,0|1,0,0]=3 2525 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,2,0,0,0,0|2,0,0]=4 2526 B10R0.75 CSCCCNC(C)C(=O)N 2230a_100000749238_100000702099 [0,2,0,0,0,0|2,0,0]=4 2527 B10R0.75 CSCCCNC(F)C(=O)N 2230a_100000749238_100009813875 [0,2,0,0,0,0|2,0,0]=4 2528 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,2,0,0,0,0|2,0,0]=4 2529 B10R0.75 CSCCCOC(C)C(=O)N 34a_100000690336_100000702099 [0,2,0,0,0,0|2,0,0]=4 2530 B10R0.75 CSCCCOC(C)C(=O)N 7a_100000690336_100000702099 [0,2,0,0,0,0|2,0,0]=4 2531 B10R0.75 CSCCCOC(F)C(=O)N 34a_100000690336_100009813875 [0,2,0,0,0,0|2,0,0]=4 2532 B10R0.75 CSCCCOC(F)C(=O)N 7a_100000690336_100009813875 [0,2,0,0,0,0|2,0,0]=4 2533 B10R0.75 CSCCCOC(F)C(=O)[O-] 34a_100000690336_100020610796 [0,2,0,0,0,0|1,0,1]=4 2534 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,0,0,0,0|1,0,0]=3 2535 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,2,0,0,0,0|1,0,0]=3 2536 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,2,0,0,0,0|2,0,0]=4 2537 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,2,0,0,0,0|2,0,0]=4 2538 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,2,0,0,0,0|1,0,0]=3 2539 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,2,0,0,0,0|2,0,0]=4 2540 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,2,0,0,0,0|2,0,0]=4 2541 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,2,0,0,0,0|2,0,0]=4 2542 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,2,0,0,0,0|2,0,0]=4 2543 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,2,0,0,0,0|2,0,0]=4 2544 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,2,0,0,0,0|2,0,0]=4 2545 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,2,0,0,0,0|2,0,0]=4 2546 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,2,0,0,0,0|2,0,0]=4 2547 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,2,0,0,0,0|1,0,1]=4 2548 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,2,0,0,0,0|1,0,1]=4 2549 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,2,0,0,0,0|1,0,0]=3 2550 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,2,0,0,0,0|1,0,0]=3 2551 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,2,0,0,0,0|1,0,1]=4 2552 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,2,0,0,0,0|1,0,1]=4 2553 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,2,0,0,0,0|1,0,1]=4 2554 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 2555 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 2556 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [0,2,0,0,0,0|2,0,0]=4 2557 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 2558 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 2559 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 2560 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 2561 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [0,2,0,0,0,0|2,0,0]=4 2562 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [0,2,0,0,0,0|2,0,0]=4 2563 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [0,2,0,0,0,0|2,0,0]=4 2564 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 2565 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,2,0,0,0,0|2,0,0]=4 2566 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,2,0,0,0,0|1,0,0]=3 2567 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,2,0,0,0,0|1,0,0]=3 2568 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 2569 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,2,0,0,0,0|1,0,1]=4 2570 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,2,0,0,0,0|1,0,0]=3 2571 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,2,0,0,0,0|1,0,0]=3 2572 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,2,0,0,0,0|1,0,1]=4 2573 B10R0.75 O=C([O-])C(F)OCCCCBr 34a_100011216708_100020610796 [0,2,0,0,0,0|1,0,1]=4 2574 B10R0.75 O=C([O-])C(F)OCCCCCl 34a_100000210776_100020610796 [0,2,0,0,0,0|1,0,1]=4 2575 B10R0.75 O=C([O-])C(F)OCCCCF 34a_100011995726_100020610796 [0,2,0,0,0,0|1,0,1]=4 2576 B10R0.75 O=C([O-])C(F)OCCCCI 34a_200012148704_100020610796 [0,2,0,0,0,0|1,0,1]=4 2577 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100000729493_100020610796 [0,2,0,0,0,0|1,0,1]=4 2578 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100020610796_100000729493 [0,2,0,0,0,0|1,0,1]=4 2579 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,2,0,0,0,0|1,0,1]=4 2580 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,2,0,0,0,0|1,0,1]=4 2581 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,2,0,0,0,0|1,0,1]=4 2582 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,2,0,0,0,0|1,0,1]=4 2583 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,2,0,0,0,0|1,0,1]=4 2584 B10R0.98 C=C(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748629 [0,2,0,0,0,0|1,0,1]=4 2585 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,2,0,0,0,0|2,0,0]=4 2586 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,2,0,0,0,0|2,0,0]=4 2587 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,2,0,0,0,0|2,0,0]=4 2588 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,2,0,0,0,0|2,0,0]=4 2589 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,2,0,0,0,0|2,0,0]=4 2590 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,2,0,0,0,0|2,0,0]=4 2591 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,2,0,0,0,0|2,0,0]=4 2592 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,2,0,0,0,0|2,0,0]=4 2593 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,2,0,0,0,0|2,0,0]=4 2594 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,2,0,0,0,0|2,0,0]=4 2595 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,2,0,0,0,0|2,0,0]=4 2596 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,2,0,0,0,0|2,0,0]=4 2597 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,2,0,0,0,0|2,0,0]=4 2598 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,2,0,0,0,0|2,0,0]=4 2599 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,2,0,0,0,0|1,0,1]=4 2600 B10R0.98 CC(Br)CCOC(C)C(=O)N 34a_100009893172_100000702099 [0,2,0,0,0,0|2,0,0]=4 2601 B10R0.98 CC(Br)CCOC(F)C(=O)N 34a_100009893172_100009813875 [0,2,0,0,0,0|2,0,0]=4 2602 B10R0.98 CC(Br)CCOC(F)C(=O)[O-] 34a_100009893172_100020610796 [0,2,0,0,0,0|1,0,1]=4 2603 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,2,0,0,0,0|1,0,0]=3 2604 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,2,0,0,0,0|2,0,0]=4 2605 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,2,0,0,0,0|2,0,0]=4 2606 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,2,0,0,0,0|2,0,0]=4 2607 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,2,0,0,0,0|2,0,0]=4 2608 B10R0.98 CC(C)CCOC(F)C(=O)N 34a_100000210254_100009813875 [0,2,0,0,0,0|2,0,0]=4 2609 B10R0.98 CC(C)CCOC(F)C(=O)N 7a_100000210254_100009813875 [0,2,0,0,0,0|2,0,0]=4 2610 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,2,0,0,0,0|1,0,1]=4 2611 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,2,0,0,0,0|1,0,1]=4 2612 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,2,0,0,0,0|2,0,0]=4 2613 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,2,0,0,0,0|2,0,0]=4 2614 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,2,0,0,0,0|2,0,0]=4 2615 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,2,0,0,0,0|2,0,0]=4 2616 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100000210312_100009813875 [0,2,0,0,0,0|2,0,0]=4 2617 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100009813875_100000210312 [0,2,0,0,0,0|2,0,0]=4 2618 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,2,0,0,0,0|1,0,1]=4 2619 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,2,0,0,0,0|1,0,1]=4 2620 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,2,0,0,0,0|1,0,0]=3 2621 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,2,0,0,0,0|1,0,0]=3 2622 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,2,0,0,0,0|1,0,0]=3 2623 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,2,0,0,0,0|2,0,0]=4 2624 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,2,0,0,0,0|2,0,0]=4 2625 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,2,0,0,0,0|1,0,0]=3 2626 B10R0.98 CC(O)CCNC(C)C(=O)N 2230a_200000755665_100000702099 [0,2,0,0,0,0|2,0,0]=4 2627 B10R0.98 CC(O)CCNC(F)C(=O)N 2230a_200000755665_100009813875 [0,2,0,0,0,0|2,0,0]=4 2628 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,2,0,0,0,0|1,0,0]=3 2629 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 2230a_100000119354_100012276601 [0,2,0,0,0,0|2,0,0]=4 2630 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 34a_100000119354_100012276601 [0,2,0,0,0,0|2,0,0]=4 2631 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [0,2,0,0,0,0|1,0,1]=4 2632 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [0,2,0,0,0,0|2,0,0]=4 2633 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [0,2,0,0,0,0|2,0,0]=4 2634 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [0,2,0,0,0,0|2,0,0]=4 2635 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [0,2,0,0,0,0|2,0,0]=4 2636 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100009813875_100012276601 [0,2,0,0,0,0|2,0,0]=4 2637 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100012276601_100009813875 [0,2,0,0,0,0|2,0,0]=4 2638 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100012276601_100020610796 [0,2,0,0,0,0|1,0,1]=4 2639 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100020610796_100012276601 [0,2,0,0,0,0|1,0,1]=4 2640 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,2,0,0,0,0|1,0,0]=3 2641 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,2,0,0,0,0|1,0,0]=3 2642 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,2,0,0,0,0|1,0,0]=3 2643 B10R0.98 CC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000702099 [0,2,0,0,0,0|2,0,0]=4 2644 B10R0.98 C[C@@H](N)CCOC(F)C(=O)N 34a_100000706166_100009813875 [0,2,0,0,0,0|2,0,0]=4 2645 B10R0.98 C[C@@H](N)CCOC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,2,0,0,0,0|1,0,1]=4 2646 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,2,0,0,0,0|1,0,0]=3 2647 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,2,0,0,0,0|1,0,0]=3 2648 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,2,0,0,0,0|2,0,0]=4 2649 B10R0.98 NC(=O)[C@@H](N)COCC(F)F 34a_100000729942_100011934356 [0,2,0,0,0,0|2,0,0]=4 2650 B10R0.98 O=C(O)C(F)CNCC(F)F 269956a_100000084737_100011934356 [0,2,0,0,0,0|2,0,0]=4 2651 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|2,0,0]=4 2652 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 2653 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 2654 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|2,0,0]=4 2655 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|2,0,0]=4 2656 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|2,0,0]=4 2657 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|2,0,0]=4 2658 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|2,0,0]=4 2659 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|2,0,0]=4 2660 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,0]=3 2661 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,0]=3 2662 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 2663 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|2,0,0]=4 2664 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|2,0,0]=4 2665 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|2,0,0]=4 2666 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|2,0,0]=4 2667 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 2668 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,0]=3 2669 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 2670 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|2,0,0]=4 2671 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 2672 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 2673 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 2674 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 2675 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,0]=3 2676 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,0]=3 2677 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 2678 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 2679 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 2680 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|2,0,0]=4 2681 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|2,0,0]=4 2682 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 2683 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 2684 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 2685 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 2686 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 2687 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|1,0,1]=4 2688 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 2689 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|2,0,0]=4 2690 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,0]=3 2691 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,0]=3 2692 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|2,0,0]=4 2693 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 2694 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 2695 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 2696 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 2697 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|2,0,0]=4 2698 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 2699 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 2700 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,0]=3 2701 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|1,0,1]=4 2702 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|1,0,1]=4 2703 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,0]=3 2704 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 2705 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 2706 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [1,0,0,1,0,0|2,0,0]=4 2707 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [1,0,0,1,0,0|2,0,0]=4 2708 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [1,0,0,1,0,0|2,0,0]=4 2709 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [1,0,0,1,0,0|2,0,0]=4 2710 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [1,0,0,1,0,0|2,0,0]=4 2711 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [1,0,0,1,0,0|2,0,0]=4 2712 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,0,0,1,0,1|2,0,0]=4 2713 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,0,0,1,0,1|2,0,0]=4 2714 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,0,0,1,0,1|2,0,0]=4 2715 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,0,0,1,0,1|2,0,0]=4 2716 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,0,0,1,0,1|2,0,0]=4 2717 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,0,0,1,0,1|2,0,0]=4 2718 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,0,0,1,0,1|2,0,0]=4 2719 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,0,0,1,0,1|2,0,0]=4 2720 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,0,0,1,0,1|2,0,0]=4 2721 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,1,0,1|2,0,0]=4 2722 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,1,0,1|2,0,0]=4 2723 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,1,0,1|2,0,0]=4 2724 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,1,0,1|2,0,0]=4 2725 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,1,0,1|2,0,0]=4 2726 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,1,0,1|2,0,0]=4 2727 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,1,0,1|2,0,0]=4 2728 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,1,0,1|2,0,0]=4 2729 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,1,0,1|2,0,0]=4 2730 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,1,0,1|2,0,0]=4 2731 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,0,1,0,1|2,0,0]=4 2732 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,0,1,0,1|2,0,0]=4 2733 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,0,1|2,0,0]=4 2734 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,0,1,0,1|2,0,0]=4 2735 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,0,1,0,1|2,0,0]=4 2736 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,0,1,0,1|2,0,0]=4 2737 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,0,1,0,1|2,0,0]=4 2738 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,0,1,0,1|2,0,0]=4 2739 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,0,1|2,0,0]=4 2740 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,0,1,0,1|2,0,0]=4 2741 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,0,1,0,1|2,0,0]=4 2742 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,0,1,0,1|2,0,0]=4 2743 B10R1.168 CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210202 [0,0,0,1,0,1|2,0,0]=4 2744 B10R1.192 CC(=O)N1C(CCC1C)C 11a_100000687148_100015343762 [0,0,0,1,0,1|2,0,0]=4 2745 B10R1.192 CC(=O)N1C(CCC1C)C 240690a_100000687148_100015343762 [0,0,0,1,0,1|2,0,0]=4 2746 B10R1.192 CC(=O)N1C(CCC1C)C 527a_100000687148_100103153847 [0,0,0,1,0,1|2,0,0]=4 2747 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,0,0,1,0,1|2,0,0]=4 2748 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,0,0,1,0,1|2,0,0]=4 2749 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,0,0,1,0,1|2,0,0]=4 2750 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,0,0,1,0,1|2,0,0]=4 2751 B10R1.266 CN(CC(=O)O)C1CCC1 269956a_100000746989_100000749161 [0,0,0,1,0,1|2,0,0]=4 2752 B10R1.268 CN(CC(=O)O)CC1CC1 269956a_100000746989_100000742324 [0,0,0,1,0,1|2,0,0]=4 2753 B10R1.23 CC(=O)C(C)N1CCCC1 1458a_100025750167_200000210301 [0,1,0,1,0,0|2,0,0]=4 2754 B10R1.23 CC(=O)C(C)N1CCCC1 2230a_100000188435_100009814033 [0,1,0,1,0,0|2,0,0]=4 2755 B10R1.23 CC(=O)C(C)N1CCCC1 269982a_100000188435_100009814033 [0,1,0,1,0,0|2,0,0]=4 2756 B10R1.23 CC(C(=O)N)N1CCCC1 2230a_100000188435_100000702099 [0,1,0,1,0,0|2,0,0]=4 2757 B10R1.23 CC(C(=O)N)N1CCCC1 269982a_100000188435_100000184083 [0,1,0,1,0,0|2,0,0]=4 2758 B10R1.23 CC(C(=O)[13CH3])N1CCCC1 1458a_100025750167_200025704644 [0,1,0,1,0,0|2,0,0]=4 2759 B10R1.23 NC(=O)C(F)N1CCCC1 2230a_100000188435_100009813875 [0,1,0,1,0,0|2,0,0]=4 2760 B10R1.23 NC(=O)C(F)N1CCCC1 269982a_100000188435_100009813875 [0,1,0,1,0,0|2,0,0]=4 2761 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|2,0,0]=4 2762 B10R1.278 CC(C(=O)O)N(C)C1CC1 269956a_100000749554_100000211595 [0,1,0,1,0,0|2,0,0]=4 2763 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,1,0,0|1,0,0]=3 2764 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,1,0,0|1,0,0]=3 2765 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|2,0,0]=4 2766 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|2,0,0]=4 2767 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|2,0,0]=4 2768 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,1,0,0|2,0,0]=4 2769 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|2,0,0]=4 2770 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|2,0,0]=4 2771 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,1,0,0|2,0,0]=4 2772 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,1,0,1,0,0|2,0,0]=4 2773 B10R1.205 CC(=O)C(C)NCC1CC1 2230a_100000735609_100009814033 [0,1,0,1,0,0|2,0,0]=4 2774 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,1,0,1,0,0|2,0,0]=4 2775 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100000756562_100009814033 [0,1,0,1,0,0|2,0,0]=4 2776 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100009814033_100000742324 [0,1,0,1,0,0|2,0,0]=4 2777 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,1,0,1,0,0|1,0,0]=3 2778 B10R1.205 CC(NCC1CC1)C(=O)N 2230a_100000735609_100000702099 [0,1,0,1,0,0|2,0,0]=4 2779 B10R1.205 CC(NCC1CC1)C(=O)N 34a_100000735609_100000702099 [0,1,0,1,0,0|2,0,0]=4 2780 B10R1.205 CC(OCC1CC1)C(=O)N 34a_100000211283_100000702099 [0,1,0,1,0,0|2,0,0]=4 2781 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000702099_100000742324 [0,1,0,1,0,0|2,0,0]=4 2782 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000756562_100000702099 [0,1,0,1,0,0|2,0,0]=4 2783 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 2230a_100000119354_100000742324 [0,1,0,1,0,0|2,0,0]=4 2784 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 34a_100000119354_100000742324 [0,1,0,1,0,0|2,0,0]=4 2785 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 34a_100000731257_100000742324 [0,1,0,1,0,0|2,0,0]=4 2786 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 7a_100000731257_100000742324 [0,1,0,1,0,0|2,0,0]=4 2787 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,1,0,1,0,0|1,0,0]=3 2788 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,1,0,1,0,0|2,0,0]=4 2789 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,1,0,1,0,0|2,0,0]=4 2790 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,1,0,1,0,0|2,0,0]=4 2791 B10R1.205 C[C@H](OCC1CC1)C(=O)[O-] 7a_217856618621_100000742324 [0,1,0,1,0,0|1,0,1]=4 2792 B10R1.205 NC(=O)C(F)NCC1CC1 2230a_100000735609_100009813875 [0,1,0,1,0,0|2,0,0]=4 2793 B10R1.205 NC(=O)C(F)NCC1CC1 34a_100000735609_100009813875 [0,1,0,1,0,0|2,0,0]=4 2794 B10R1.205 NC(=O)C(F)OCC1CC1 34a_100000211283_100009813875 [0,1,0,1,0,0|2,0,0]=4 2795 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100000756562_100009813875 [0,1,0,1,0,0|2,0,0]=4 2796 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100009813875_100000742324 [0,1,0,1,0,0|2,0,0]=4 2797 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,1,0,1,0,0|1,0,0]=3 2798 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,1,0,1,0,0|1,0,0]=3 2799 B10R1.205 O=C([O-])C(F)NCC1CC1 34a_100000735609_100020610796 [0,1,0,1,0,0|1,0,1]=4 2800 B10R1.205 O=C([O-])C(F)OCC1CC1 34a_100000211283_100020610796 [0,1,0,1,0,0|1,0,1]=4 2801 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100000756562_100020610796 [0,1,0,1,0,0|1,0,1]=4 2802 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100020610796_100000742324 [0,1,0,1,0,0|1,0,1]=4 2803 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,1,0,1,0,0|2,0,0]=4 2804 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,1,0,1,0,0|2,0,0]=4 2805 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,1,0,1,0,0|2,0,0]=4 2806 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,1,0,1,0,0|2,0,0]=4 2807 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,1,0,0|2,0,0]=4 2808 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,1,0,0|2,0,0]=4 2809 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,1,0,0|2,0,0]=4 2810 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|2,0,0]=4 2811 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|2,0,0]=4 2812 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|2,0,0]=4 2813 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|2,0,0]=4 2814 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|2,0,0]=4 2815 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 2816 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 2817 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|2,0,0]=4 2818 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|2,0,0]=4 2819 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 2820 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 2821 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 2822 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|2,0,0]=4 2823 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|2,0,0]=4 2824 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,1,0,0|1,0,1]=4 2825 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|1,0,0]=3 2826 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|2,0,0]=4 2827 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,1,0,0|2,0,0]=4 2828 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|1,0,0]=3 2829 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 2830 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 2831 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 2832 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 2833 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|2,0,0]=4 2834 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|2,0,0]=4 2835 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|2,0,0]=4 2836 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|2,0,0]=4 2837 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 2838 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 2839 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|2,0,0]=4 2840 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|2,0,0]=4 2841 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|2,0,0]=4 2842 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|2,0,0]=4 2843 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,1,0,1,0,0|2,0,0]=4 2844 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,1,0,1,0,0|2,0,0]=4 2845 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|2,0,0]=4 2846 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|2,0,0]=4 2847 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|2,0,0]=4 2848 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,1,0,1,0,0|2,0,0]=4 2849 B10R1.169 CCC1CN(C1)C(=O)CO 240690a_100015205115_100000210174 [0,1,0,1,0,0|2,0,0]=4 2850 B10R1.169 CCC1CN(C1)C(=O)CO 527a_100015205115_100000210174 [0,1,0,1,0,0|2,0,0]=4 2851 B10R1.169 CCN1CC(C1)C(=O)OC 269982a_100015188540_100000204670 [0,1,0,1,0,0|2,0,0]=4 2852 B10R1.169 CNC1CC(C1)C(=O)OC 34a_100102657272_100009897219 [0,1,0,1,0,0|2,0,0]=4 2853 B10R1.169 CNC1CC(C1)C(=O)OC 7a_106832991635_100009897219 [0,1,0,1,0,0|2,0,0]=4 2854 B10R1.169 COC(=O)C1CC(C1)OC 34a_100138415774_100009897219 [0,1,0,1,0,0|2,0,0]=4 2855 B10R1.169 COC(=O)C1CC(C1)OC 7a_100000076263_200000210301 [0,1,0,1,0,0|2,0,0]=4 2856 B10R1.169 COC(=O)C1CC(C1)O[13CH3] 7a_100000076263_200025704644 [0,1,0,1,0,0|2,0,0]=4 2857 B10R1.169 COC(=O)C1CC(C1)SC 62a_100009897219_200000210301 [0,1,0,1,0,0|2,0,0]=4 2858 B10R1.169 COC(=O)C1CC(C1)SC 62a_200000210301_100009897219 [0,1,0,1,0,0|2,0,0]=4 2859 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_100009897219_200025704644 [0,1,0,1,0,0|2,0,0]=4 2860 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_200025704644_100009897219 [0,1,0,1,0,0|2,0,0]=4 2861 B10R1.182 CN(C(=O)CO)C1CCC1 240690a_100000758072_100000210174 [0,1,0,1,0,0|2,0,0]=4 2862 B10R1.182 CN(C(=O)CO)C1CCC1 527a_100000758072_100000210174 [0,1,0,1,0,0|2,0,0]=4 2863 B10R1.182 COC(=O)C(C)N1CCC1 269982a_100000754969_100000211248 [0,1,0,1,0,0|2,0,0]=4 2864 B10R1.184 CN(CC1CC1)C(=O)CO 240690a_100000741881_100000210174 [0,1,0,1,0,0|2,0,0]=4 2865 B10R1.184 CN(CC1CC1)C(=O)CO 527a_100000741881_100000210174 [0,1,0,1,0,0|2,0,0]=4 2866 B10R1.184 COC(=O)C(C)NC1CC1 34a_100000212008_100000211248 [0,1,0,1,0,0|2,0,0]=4 2867 B10R1.184 COC(=O)C(C)OC1CC1 34a_100011215400_100000211595 [0,1,0,1,0,0|2,0,0]=4 2868 B10R1.184 COC(=O)C(C)SC1CC1 62a_100000211248_100000211595 [0,1,0,1,0,0|2,0,0]=4 2869 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,1,0,1,0,0|2,0,0]=4 2870 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,1,0,0|2,0,0]=4 2871 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,1,0,0|2,0,0]=4 2872 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,1,0,1,0,0|2,0,0]=4 2873 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,1,0,1,0,0|2,0,0]=4 2874 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,1,0,1,0,0|2,0,0]=4 2875 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,1,0,1,0,0|2,0,0]=4 2876 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,1,0,1,0,0|2,0,0]=4 2877 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,1,0,1,0,0|2,0,0]=4 2878 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,1,0,1,0,0|2,0,0]=4 2879 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,1,0,1,0,0|2,0,0]=4 2880 B10R1.31 CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210202 [0,1,0,1,0,0|2,0,0]=4 2881 B10R1.31 CCN1CCC(C1)C(=O)N 269982a_100000752358_100000204670 [0,1,0,1,0,0|2,0,0]=4 2882 B10R1.31 CCN1CCC(C1)C(=O)N 34a_100000752358_100000210202 [0,1,0,1,0,0|2,0,0]=4 2883 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,1,0,1,0,0|2,0,0]=4 2884 B10R1.31 CN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200000210301 [0,1,0,1,0,0|2,0,0]=4 2885 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|1,0,0]=3 2886 B10R1.31 [13CH3]N[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200025704644 [0,1,0,1,0,0|2,0,0]=4 2887 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|1,0,0]=3 2888 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [0,1,0,1,0,0|0,0,0]=2 2889 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [0,1,0,1,0,0|0,0,0]=2 2890 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|2,0,0]=4 2891 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|2,0,0]=4 2892 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|2,0,0]=4 2893 B10R1.437 CCCNC1(CC1)C(=O)O 269956a_100000746478_100000210207 [0,1,0,1,0,0|2,0,0]=4 2894 B10R1.437 CCNCC1(CC1)C(=O)O 269956a_100000703410_100000210202 [0,1,0,1,0,0|2,0,0]=4 2895 B10R1.437 CNCCC1(CC1)C(=O)O 269956a_100000690630_200000210301 [0,1,0,1,0,0|2,0,0]=4 2896 B10R1.437 [13CH3]NCCC1(CC1)C(=O)O 269956a_100000690630_200025704644 [0,1,0,1,0,0|2,0,0]=4 2897 B10R1.469 C=C[C@H](NC1CC1)C(=O)O 269956a_100016992060_100000211595 [0,1,0,1,0,0|2,0,0]=4 2898 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [0,1,0,1,0,0|2,0,0]=4 2899 B10R1.469 O=C(O)C(CO)NC1CC1 269956a_100000187304_100000211595 [0,1,0,1,0,0|2,0,0]=4 2900 B10R1.477 CC(=O)C1(CCCC1)C#N 1458a_100000209868_200000210301 [0,1,0,1,0,0|1,0,1]=4 2901 B10R1.477 CNC1(CCCC1)C(=O)N 2230a_100000755618_200000210301 [0,1,0,1,0,0|1,0,0]=3 2902 B10R1.477 CNC1(CCCC1)C(=O)N 34a_100000755618_200000210301 [0,1,0,1,0,0|1,0,0]=3 2903 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,1,0,1,0,0|0,0,0]=2 2904 B10R1.477 [13CH3]C(=O)C1(CCCC1)C#N 1458a_100000209868_200025704644 [0,1,0,1,0,0|1,0,1]=4 2905 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 2230a_100000755618_200025704644 [0,1,0,1,0,0|1,0,0]=3 2906 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 34a_100000755618_200025704644 [0,1,0,1,0,0|1,0,0]=3 2907 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,1,0,1,0,0|0,0,0]=2 2908 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|2,0,0]=4 2909 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|2,0,0]=4 2910 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,1,0,0|2,0,0]=4 2911 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [0,1,0,1,0,0|1,0,1]=4 2912 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,1,0,0|1,0,1]=4 2913 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [0,1,0,1,0,0|1,0,1]=4 2914 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|2,0,0]=4 2915 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,1,0,1,0,0|2,0,0]=4 2916 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,1,0,1,0,0|2,0,0]=4 2917 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,1,0,1,0,0|2,0,0]=4 2918 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,1,0,0|2,0,0]=4 2919 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|2,0,0]=4 2920 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,1,0,0|1,0,1]=4 2921 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,1,0,1,0,0|2,0,0]=4 2922 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,1,0,1,0,0|2,0,0]=4 2923 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,1,0,1,0,0|2,0,0]=4 2924 B10R1.116 CC(=O)C(C)N1CCC1C 269982a_100000755817_100009814033 [0,1,0,1,0,0|2,0,0]=4 2925 B10R1.116 CC1CCN1C(C)C(=O)N 269982a_100000755817_100000184083 [0,1,0,1,0,0|2,0,0]=4 2926 B10R1.116 CC1CCN1C(C)C(=O)N 34a_100000755817_100000702099 [0,1,0,1,0,0|2,0,0]=4 2927 B10R1.116 CC1CCN1C(F)C(=O)N 269982a_100000755817_100009813875 [0,1,0,1,0,0|2,0,0]=4 2928 B10R1.116 CC1CCN1C(F)C(=O)N 34a_100000755817_100009813875 [0,1,0,1,0,0|2,0,0]=4 2929 B10R1.116 CC1CCN1C(F)C(=O)[O-] 34a_100000755817_100020610796 [0,1,0,1,0,0|1,0,1]=4 2930 B10R1.204 CC(=O)C(C)NC1CCC1 2230a_100000749019_100009814033 [0,1,0,1,0,0|2,0,0]=4 2931 B10R1.204 CC(=O)C(C)OC1CCC1 34a_100000212229_100000749161 [0,1,0,1,0,0|2,0,0]=4 2932 B10R1.204 CC(=O)C(C)SC1CCC1 62a_100009814033_100000749161 [0,1,0,1,0,0|2,0,0]=4 2933 B10R1.204 CC(NC1CCC1)C(=O)N 2230a_100000749019_100000702099 [0,1,0,1,0,0|2,0,0]=4 2934 B10R1.204 CC(NC1CCC1)C(=O)N 34a_100000749019_100000702099 [0,1,0,1,0,0|2,0,0]=4 2935 B10R1.204 CC(OC1CCC1)C(=O)N 34a_100000748187_100000702099 [0,1,0,1,0,0|2,0,0]=4 2936 B10R1.204 CC(SC1CCC1)C(=O)N 62a_100000702099_100000749161 [0,1,0,1,0,0|2,0,0]=4 2937 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 270004a_100000119354_100000241760 [0,1,0,1,0,0|2,0,0]=4 2938 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 34a_100000119354_100000749161 [0,1,0,1,0,0|2,0,0]=4 2939 B10R1.204 C[C@@H](OC1CCC1)C(=O)N 34a_100000731257_100000749161 [0,1,0,1,0,0|2,0,0]=4 2940 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,0,1,0,0|1,0,0]=3 2941 B10R1.204 C[C@H](NC1COC1)C(=O)O 269956a_100000743915_100009818527 [0,1,0,1,0,0|2,0,0]=4 2942 B10R1.204 NC(=O)C(F)NC1CCC1 2230a_100000749019_100009813875 [0,1,0,1,0,0|2,0,0]=4 2943 B10R1.204 NC(=O)C(F)NC1CCC1 34a_100000749019_100009813875 [0,1,0,1,0,0|2,0,0]=4 2944 B10R1.204 NC(=O)C(F)OC1CCC1 34a_100000748187_100009813875 [0,1,0,1,0,0|2,0,0]=4 2945 B10R1.204 NC(=O)C(F)SC1CCC1 62a_100009813875_100000749161 [0,1,0,1,0,0|2,0,0]=4 2946 B10R1.204 O=C([O-])C(F)NC1CCC1 34a_100000749019_100020610796 [0,1,0,1,0,0|1,0,1]=4 2947 B10R1.204 O=C([O-])C(F)OC1CCC1 34a_100000748187_100020610796 [0,1,0,1,0,0|1,0,1]=4 2948 B10R1.204 O=C([O-])C(F)SC1CCC1 62a_100020610796_100000749161 [0,1,0,1,0,0|1,0,1]=4 2949 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|2,0,0]=4 2950 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|2,0,0]=4 2951 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|2,0,0]=4 2952 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|2,0,0]=4 2953 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|2,0,0]=4 2954 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|2,0,0]=4 2955 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|2,0,0]=4 2956 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|2,0,0]=4 2957 B10R1.93 CCCN1CC(C1)C(=O)N 34a_100025753142_100000210303 [0,1,0,1,0,0|2,0,0]=4 2958 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,1,0,1,0,0|1,0,0]=3 2959 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,1,0,1,0,0|2,0,0]=4 2960 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,1,0,1,0,0|2,0,0]=4 2961 B10R1.93 O=C(O)[C@H]1C[C@H](C1)NCF 269956a_100000738708_100015361967 [0,1,0,1,0,0|2,0,0]=4 2962 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|2,0,0]=4 2963 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|2,0,0]=4 2964 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|2,0,0]=4 2965 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,1,0,1,0,0|2,0,0]=4 2966 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,1,0,1,0,0|2,0,0]=4 2967 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,1,0,0|2,0,0]=4 2968 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|2,0,0]=4 2969 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,1,0,1,0,0|2,0,0]=4 2970 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|2,0,0]=4 2971 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|2,0,0]=4 2972 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,1,0,1,0,0|2,0,0]=4 2973 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,1,0,0|2,0,0]=4 2974 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|2,0,0]=4 2975 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|2,0,0]=4 2976 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,0,0,0,0,2|2,0,0]=4 2977 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,0,0,0,0,2|2,0,0]=4 2978 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,0,0,0,0,2|2,0,0]=4 2979 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,0,0,0,0,2|2,0,0]=4 2980 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,0,0,0,0,2|1,0,0]=3 2981 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,0,0,0,0,2|2,0,0]=4 2982 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,0,0,0,0,2|2,0,0]=4 2983 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,0,0,0,0,2|2,0,0]=4 2984 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,0,0,0,0,2|1,0,1]=4 2985 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,0,0,0,0,2|2,0,0]=4 2986 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,0,0,0,0,2|2,0,0]=4 2987 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,0,0,0,0,2|1,0,1]=4 2988 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,0,0,0,0,2|1,0,1]=4