0 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,0,0,0,0,0|2,0,1]=3 20 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,0,0,0,0,0|1,0,3]=4 25 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,0,0,0,0,0|3,0,0]=3 29 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,0,0,0,0,0|2,0,1]=3 35 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,0,0,0,0,0|1,0,1]=2 40 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,0,0,0,0,0|1,0,2]=3 46 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,0,0,0,0,0|2,0,1]=3 47 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,0,0,0,0,0|2,0,1]=3 48 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,0,0,0,0,0|2,0,1]=3 49 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,0,0,0,0,0|2,0,1]=3 50 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,0,0,0,0,0|2,0,2]=4 54 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,0,0,0,0,0|1,0,2]=4 68 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|1,0,1]=3 86 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,0,0,0,0|1,0,2]=4 93 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|1,0,2]=4 102 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,0|1,0,2]=4 106 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,0,0,0,0,0|1,0,0]=2 107 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,0|1,0,2]=4 108 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,0|1,0,2]=4 109 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,0|1,0,2]=4 110 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,0|1,0,2]=4 111 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,0,0,0,0,0|1,0,0]=2 120 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,0|1,0,2]=4 121 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,0,0|2,0,1]=4 122 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,0|1,0,1]=3 125 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,0,0|1,0,2]=4 126 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,0|2,0,1]=4 132 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,0,0,0,0,0|1,0,2]=4 133 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,0,0,0,0,0|1,0,2]=4 134 B9R0.11 CC(=O)C(C)(C)OC(C)C 34a_100000747739_100000210206 [0,1,0,0,0,0|2,0,1]=4 135 B9R0.11 CC(=O)C(C)(C)OC(C)C 7a_100000747739_100000210206 [0,1,0,0,0,0|2,0,1]=4 136 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000075568_100000210206 [0,1,0,0,0,0|2,0,1]=4 137 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000210206_100000075568 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,1,0,0,0,0|1,0,2]=4 139 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,1,0,0,0,0|1,0,2]=4 140 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000210206 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100138425928_100000702505 [0,1,0,0,0,0|2,0,1]=4 142 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100000743658_100000210206 [0,1,0,0,0,0|2,0,1]=4 143 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100138425928_100000702505 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100000212225_100000702505 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100011626353_100000210206 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.11 CC(C)OC(C)(C)C(=O)N 7a_100011626353_100000210206 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000210206_100000702505 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000702505_100000210206 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [0,1,0,0,0,0|1,0,2]=4 150 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,1,0,0,0,0|1,0,2]=4 151 B9R0.23 C=CC(=O)N(C)CC(C)C 1626a_100000747067_100000185746 [0,1,0,0,0,0|2,0,1]=4 152 B9R0.23 C=CC(=O)N(C)CC(C)C 240690a_100000747067_200121576911 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,1,0,0,0,0|0,0,2]=3 154 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [0,1,0,0,0,0|1,0,1]=3 155 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [0,1,0,0,0,0|1,0,1]=3 156 B9R0.23 CC(C)NC(=O)C(=O)CF 1458a_100011220036_100015361967 [0,1,0,0,0,0|3,0,0]=4 157 B9R0.23 CC(C)OC(C)C(=O)NN 34a_100000725659_100000210206 [0,1,0,0,0,0|2,0,1]=4 158 B9R0.23 CC(O)CN(C)C(=O)CO 240690a_100000227577_100000210174 [0,1,0,0,0,0|2,0,1]=4 159 B9R0.23 CC(O)CN(C)C(=O)CO 527a_100000227577_100000210174 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,0,0,0,0|3,0,0]=4 161 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,1,0,0,0,0|1,0,2]=4 162 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,1,0,0,0,0|2,0,1]=4 163 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,1,0,0,0,0|2,0,1]=4 164 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,1,0,0,0,0|2,0,1]=4 166 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,1,0,0,0,0|2,0,1]=4 168 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,1,0,0,0,0|2,0,1]=4 169 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,1,0,0,0,0|2,0,1]=4 170 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100102657272_100011220036 [0,1,0,0,0,0|3,0,0]=4 171 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100138425928_100011218921 [0,1,0,0,0,0|3,0,0]=4 172 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100102657272_100011220036 [0,1,0,0,0,0|3,0,0]=4 173 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100138425928_100011218921 [0,1,0,0,0,0|3,0,0]=4 174 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100102657272_100011220036 [0,1,0,0,0,0|3,0,0]=4 175 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100138425928_100011218921 [0,1,0,0,0,0|3,0,0]=4 176 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [0,1,0,0,0,0|2,0,1]=4 177 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [0,1,0,0,0,0|2,0,1]=4 178 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [0,1,0,0,0,0|2,0,1]=4 179 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000209862_100000210206 [0,1,0,0,0,0|2,0,1]=4 180 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000210206_100000731044 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.23 CNC(=O)N(C)CC(C)C 2708a_100102657272_100000747067 [0,1,0,0,0,0|2,0,1]=4 182 B9R0.23 CNC(=O)N(C)CC(C)C 273464a_100102657272_100000747067 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,1,0,0,0,0|2,0,0]=3 186 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,1,0,0,0,0|2,0,0]=3 187 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,1,0,0,0,0|2,0,0]=3 188 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,1,0,0,0,0|2,0,0]=3 189 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,1,0,0,0,0|1,0,2]=4 190 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,1,0,0,0,0|1,0,1]=3 191 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,1,0,0,0,0|1,0,1]=3 192 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,1,0,0,0,0|1,0,1]=3 193 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,1,0,0,0,0|1,0,1]=3 194 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,1,0,0,0,0|1,0,1]=3 195 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,1,0,0,0,0|1,0,1]=3 196 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,1,0,0,0,0|1,0,2]=4 197 B9R0.39 CC(=O)/C(=C/C(C)C)/C#N 1458a_200042966509_200000210301 [0,1,0,0,0,0|1,0,1]=3 198 B9R0.39 CC(C)/C=C(\C#N)/C(=O)[13CH3] 1458a_200042966509_200025704644 [0,1,0,0,0,0|1,0,1]=3 199 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,1,0,0,0,0|1,0,2]=4 200 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,1,0,0,0,0|1,0,2]=4 201 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,1,0,0,0,0|1,0,1]=3 202 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000210206 [0,1,0,0,0,0|2,0,1]=4 203 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,0|2,0,1]=4 204 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,1,0,0,0,0|2,0,1]=4 205 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,1,0,0,0,0|2,0,1]=4 206 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,1,0,0,0,0|2,0,1]=4 207 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,1,0,0,0,0|2,0,1]=4 208 B9R0.39 CCC(OC(C)C)C(=O)N 34a_100000212225_100000750255 [0,1,0,0,0,0|2,0,1]=4 209 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000210206_100000750255 [0,1,0,0,0,0|2,0,1]=4 210 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000750255_100000210206 [0,1,0,0,0,0|2,0,1]=4 211 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,1,0,0,0,0|2,0,1]=4 212 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,1,0,0,0,0|2,0,1]=4 213 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,1,0,0,0,0|2,0,1]=4 214 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,1,0,0,0,0|2,0,1]=4 215 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,0,0,0,0|1,0,1]=3 216 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,1,0,0,0,0|1,0,2]=4 217 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,1,0,0,0,0|1,0,2]=4 218 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,1,0,0,0,0|1,0,2]=4 219 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,1,0,0,0,0|1,0,2]=4 220 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,0|2,0,1]=4 221 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,1,0,0,0,0|2,0,1]=4 222 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,0,0,0,0|2,0,1]=4 223 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,0,0,0,0|2,0,1]=4 224 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,0,0,0,0|2,0,1]=4 225 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,0,0,0,0|2,0,1]=4 226 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,1,0,0,0,0|1,0,2]=4 227 B9R0.42 CC(CF)OC(C)C(=O)N 34a_100016041109_100000702099 [0,1,0,0,0,0|2,0,1]=4 228 B9R0.42 CC(CF)OC(C)C(=O)N 7a_100016041109_100000702099 [0,1,0,0,0,0|2,0,1]=4 229 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,0|2,0,1]=4 230 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,1,0,0,0,0|2,0,1]=4 231 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,1,0,0,0,0|2,0,1]=4 232 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,1,0,0,0,0|1,0,2]=4 233 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,1,0,0,0,0|2,0,1]=4 234 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,1,0,0,0,0|2,0,1]=4 235 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,1,0,0,0,0|2,0,1]=4 236 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,1,0,0,0,0|2,0,1]=4 237 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,1,0,0,0,0|2,0,1]=4 238 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,1,0,0,0,0|2,0,1]=4 239 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,0,0,0,0|2,0,1]=4 240 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,0,0,0,0|2,0,1]=4 241 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,0,0,0,0|2,0,1]=4 242 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,0,0,0,0|2,0,1]=4 243 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,1,0,0,0,0|3,0,0]=4 244 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,1,0,0,0,0|3,0,0]=4 245 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,1,0,0,0,0|3,0,0]=4 246 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,0,0,0,0|2,0,1]=4 247 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,1,0,0,0,0|2,0,1]=4 248 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,0|1,0,1]=3 249 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,1,0,0,0,0|2,0,1]=4 250 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,1,0,0,0,0|2,0,1]=4 251 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,0,0,0,0|2,0,1]=4 252 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,0,0,0,0|2,0,1]=4 253 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,1,0,0,0,0|2,0,1]=4 254 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,1,0,0,0,0|1,0,2]=4 255 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,1,0,0,0,0|2,0,1]=4 256 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,1,0,0,0,0|2,0,1]=4 257 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,0,0,0,0|2,0,1]=4 258 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,0,0,0,0|2,0,1]=4 259 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,1,0,0,0,0|2,0,1]=4 260 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,1,0,0,0,0|2,0,1]=4 261 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,0|1,0,1]=3 262 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,1,0,0,0,0|2,0,1]=4 263 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,1,0,0,0,0|2,0,1]=4 264 B9R0.42 COC(C)SC(C)C(=O)N 62a_100000702099_100009879195 [0,1,0,0,0,0|2,0,1]=4 265 B9R0.42 COC(C)SC(C)C(=O)N 62a_100009879195_100000702099 [0,1,0,0,0,0|2,0,1]=4 266 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [0,1,0,0,0,0|3,0,0]=4 267 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,1,0,0,0,0|3,0,0]=4 268 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,0|1,0,1]=3 269 B9R0.57 CC(=O)C(=O)NC(C)(C)C 1458a_100000238687_200000210301 [0,1,0,0,0,0|3,0,0]=4 270 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [0,1,0,0,0,0|2,0,1]=4 272 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [0,1,0,0,0,0|2,0,1]=4 273 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100000211941_100009814033 [0,1,0,0,0,0|2,0,1]=4 274 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100009814033_100000211941 [0,1,0,0,0,0|2,0,1]=4 275 B9R0.57 CC(=O)N(C)CC(C)(C)C 11a_100000742839_100015343762 [0,1,0,0,0,0|2,0,1]=4 276 B9R0.57 CC(=O)N(C)CC(C)(C)C 1626a_100000742839_100015343762 [0,1,0,0,0,0|2,0,1]=4 277 B9R0.57 CC(=O)N(C)CC(C)(C)C 240690a_100000742839_100015343762 [0,1,0,0,0,0|2,0,1]=4 278 B9R0.57 CC(=O)N(C)CC(C)(C)C 527a_100000742839_100103153847 [0,1,0,0,0,0|2,0,1]=4 279 B9R0.57 CC(=O)N(C)CC(C)(C)O 1626a_100000755907_100015343762 [0,1,0,0,0,0|2,0,1]=4 280 B9R0.57 CC(=O)N(C)CC(C)(C)O 240690a_100000755907_100015343762 [0,1,0,0,0,0|2,0,1]=4 281 B9R0.57 CC(=O)N(C)CC(C)(C)O 527a_100000755907_100103153847 [0,1,0,0,0,0|2,0,1]=4 282 B9R0.57 CC(C)(C)NC(=O)C(=O)N 240690a_100000715429_100011215815 [0,1,0,0,0,0|3,0,0]=4 283 B9R0.57 CC(C)(C)NC(=O)C(=O)[13CH3] 1458a_100000238687_200025704644 [0,1,0,0,0,0|3,0,0]=4 284 B9R0.57 CC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000702099 [0,1,0,0,0,0|2,0,1]=4 285 B9R0.57 CC(OC(C)(C)C)C(=O)N 34a_100015890283_100000702099 [0,1,0,0,0,0|2,0,1]=4 286 B9R0.57 CC(OC(C)(C)C)C(=O)N 7a_100015890283_100000702099 [0,1,0,0,0,0|2,0,1]=4 287 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000211941_100000702099 [0,1,0,0,0,0|2,0,1]=4 288 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000702099_100000211941 [0,1,0,0,0,0|2,0,1]=4 289 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 34a_100000119354_100000210625 [0,1,0,0,0,0|2,0,1]=4 290 B9R0.57 C[C@@H](OC(C)(C)C)C(=O)N 34a_100000731257_100000210625 [0,1,0,0,0,0|2,0,1]=4 291 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,0,0,0,0|1,0,1]=3 292 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,1,0,0,0,0|1,0,1]=3 293 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,1,0,0,0,0|1,0,1]=3 294 B9R0.79 CC(=O)C(C)C(=O)C(C)F 1458a_100000062450_100000179758 [0,1,0,0,0,0|2,0,1]=4 295 B9R0.79 CC(=O)C(C)C(=O)N(C)C 1458a_100000070787_100000209910 [0,1,0,0,0,0|2,0,1]=4 296 B9R0.79 CC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000179758 [0,1,0,0,0,0|2,0,1]=4 297 B9R0.79 CC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000179758 [0,1,0,0,0,0|2,0,1]=4 298 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [0,1,0,0,0,0|2,0,1]=4 299 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,1,0,0,0,0|2,0,1]=4 300 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,1,0,0,0,0|2,0,1]=4 301 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,1,0,0,0,0|2,0,1]=4 302 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,1,0,0,0,0|2,0,1]=4 303 B9R0.79 CC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000702099 [0,1,0,0,0,0|2,0,1]=4 304 B9R0.79 CC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000702099 [0,1,0,0,0,0|2,0,1]=4 305 B9R0.79 CC(C)C(=O)C(C)C(=O)N 1458a_100000210198_100000702099 [0,1,0,0,0,0|1,0,1]=3 306 B9R0.79 CC(C)C(=O)C(F)C(=O)N 1458a_100000210198_100009813875 [0,1,0,0,0,0|2,0,1]=4 307 B9R0.79 CC(C)C(=O)C(F)C(=O)[O-] 1458a_100000210198_100020610796 [0,1,0,0,0,0|1,0,2]=4 308 B9R0.79 CC(C)N(C)C(=O)C(=O)N 240690a_200000211004_100011215815 [0,1,0,0,0,0|3,0,0]=4 309 B9R0.79 CC(C)N(C)C(C)C(=O)N 269982a_200000211004_100000184083 [0,1,0,0,0,0|2,0,1]=4 310 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,0|1,0,1]=3 311 B9R0.79 CC(F)C(=O)C(C)C(=O)N 1458a_100000062450_100000702099 [0,1,0,0,0,0|2,0,1]=4 312 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|2,0,1]=4 313 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|2,0,1]=4 314 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|2,0,1]=4 315 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,0,0,1,0,0|2,0,1]=4 316 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,0,0,1,0,0|2,0,1]=4 317 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,0,0,1,0,0|2,0,1]=4 318 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,0,0,1,0,0|2,0,1]=4 319 B9R1.69 Cc1cc(c(cn1)O)C 271570a_203496583355_100009819613 [0,0,0,1,0,0|2,0,1]=4 320 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [0,0,0,1,0,0|1,0,2]=4 321 B9R1.69 Cc1cnc(c(c1)C)O 271570a_203496583355_100009864548 [0,0,0,1,0,0|1,0,2]=4 322 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,0,0,1,0,0|3,0,0]=4 323 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,0,0,1,0,0|2,0,1]=4 324 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,0,0,1,0,0|2,0,1]=4 325 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,0,0,1,0,0|2,0,1]=4 326 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,0,0,1,0,0|2,0,1]=4 327 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,0,0,1,0,0|2,0,1]=4 328 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,0,0,1,0,0|2,0,1]=4 329 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,0,0,1,0,0|2,0,1]=4 330 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,0,0,1,0,0|2,0,1]=4 331 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,0,0,1,0,0|2,0,1]=4 332 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [0,0,0,1,0,0|2,0,1]=4 333 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,0|1,0,1]=3 334 B9R1.112 NC(=O)C(=O)NC1CC1 240690a_100000212008_100011215815 [0,0,0,1,0,0|3,0,0]=4 335 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,0,0,1,0,0|3,0,0]=4 336 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,0,0,1,0,0|1,0,2]=4 337 B9R1.164 CC(=O)N1CC(C1)(C)C 11a_100000753659_100015343762 [0,0,0,1,0,0|2,0,1]=4 338 B9R1.164 CC(=O)N1CC(C1)(C)C 1626a_100000753659_100015343762 [0,0,0,1,0,0|2,0,1]=4 339 B9R1.164 CC(=O)N1CC(C1)(C)C 240690a_100000753659_100015343762 [0,0,0,1,0,0|2,0,1]=4 340 B9R1.164 CC(=O)N1CC(C1)(C)C 527a_100000753659_100103153847 [0,0,0,1,0,0|2,0,1]=4 341 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,0,0,1,0,0|1,0,2]=4 342 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,0,0,0,1,0|3,0,0]=4 343 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,0,0,0,1,0|3,0,0]=4 344 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,0,0,1,0|1,0,1]=3 345 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,0,0,0,1,0|2,0,1]=4 346 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,0,0,0,1,0|2,0,1]=4 347 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,0,0,0,1,0|2,0,0]=3 348 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,0,0,0,1,0|2,0,0]=3 349 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,0,0,0,1,0|2,0,0]=3 350 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,0,0,0,1,0|2,0,0]=3 351 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,0,0,0,1,0|2,0,1]=4 352 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,0,0,0,1,0|2,0,1]=4 353 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,0,0,0,1,0|2,0,1]=4 354 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,0,0,0,1,0|2,0,1]=4 355 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,0,0,0,1,0|1,0,1]=3 356 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,0,0,0,1,0|1,0,1]=3 357 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,0,0,0,1,0|1,0,2]=4 358 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,0,0,0,1,0|2,0,1]=4 359 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,0,0,0,1,0|2,0,1]=4 360 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,0,0,1,0|1,0,1]=3 361 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,0,0,0,1,0|2,0,1]=4 362 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,0,0,0,1,0|3,0,0]=4 363 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,0,0,0,1,0|3,0,0]=4 364 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,0,0,0,1,0|2,0,1]=4 365 B9R0.7 C=C(C)C(=NNC(C)C)C 4a_100000741168_100011216138 [0,0,0,0,0,1|3,0,0]=4 366 B9R0.7 CC(=NNC(C)C)C(C)O 4a_100000741168_100000212229 [0,0,0,0,0,1|2,0,1]=4 367 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,0,0,0,0,1|2,0,1]=4 368 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,0,0,0,0,1|2,0,1]=4 369 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,0,0,0,0,1|2,0,1]=4 370 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,0,0,0,0,1|2,0,1]=4 371 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,0,0,0,0,1|2,0,1]=4 372 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,0,1|1,0,2]=4 373 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,0,0,0,0,1|1,0,2]=4 374 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,0,0,0,0,1|1,0,2]=4 375 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,0,0,0,0,1|1,0,2]=4 376 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,0,0,0,0,1|1,0,2]=4 377 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,0,0,0,0,1|1,0,2]=4 378 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,0,0,0,0,1|1,0,2]=4 379 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,0,0,0,0,1|2,0,1]=4 380 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,0,0,0,0,1|2,0,1]=4 381 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,0,0,0,0,1|2,0,1]=4 382 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,0,0,0,0,1|2,0,1]=4 383 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,0,0,0,0,1|2,0,1]=4 384 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,0,0,0,0,1|2,0,1]=4 385 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,0,0,0,0,1|1,0,2]=4 386 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,0,0,0,0,1|1,0,2]=4 387 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,1|0,0,2]=3 388 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,0,0,0,0,1|1,0,2]=4 389 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,0,0,0,0,1|1,0,2]=4 390 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,0,0,0,0,1|1,0,2]=4 391 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,0,0,0,0,1|1,0,2]=4 392 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,0,0,0,0,1|0,0,3]=4 393 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,0,0,0,0,1|1,0,2]=4 394 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,0,0,0,0,1|1,0,2]=4 395 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,0,0,0,0,1|1,0,2]=4 396 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,0,0,0,0,1|1,0,2]=4 397 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,1|0,0,2]=3 398 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,0,0,0,0,1|1,0,2]=4 399 B9R0.7 CC(C)NNC(=O)C(=O)N 22a_100000741168_100011215815 [0,0,0,0,0,1|3,0,0]=4 400 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,1|1,0,2]=4 401 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,1|1,0,2]=4 402 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,0,0,0,0,1|2,0,1]=4 403 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,0,0,0,0,1|1,0,2]=4 404 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,0,0,0,0,1|3,0,0]=4 405 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,0,0,0,0,1|3,0,0]=4 406 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,0,0,0,0,1|1,0,2]=4 407 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,0,0,0,0,1|1,0,2]=4 408 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,0,0,0,0,1|1,0,2]=4 409 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,0,0,0,0,1|1,0,2]=4 410 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,0,0,0,0,1|2,0,1]=4 411 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,0,0,0,0,1|2,0,1]=4 412 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,0,0,0,0,1|2,0,1]=4 413 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,0,0,0,0,1|2,0,1]=4 414 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,0,0,0,0,1|1,0,2]=4 415 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,0,0,0,0,1|2,0,1]=4 416 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,0,0,0,0,1|2,0,1]=4 417 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,0,0,0,0,1|2,0,1]=4 418 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,0,0,0,0,1|2,0,1]=4 419 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,0,0,0,0,1|1,0,1]=3 420 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,0,0,0,0,1|1,0,2]=4 421 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,0,0,0,0,1|3,0,0]=4 422 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,0,0,0,0,1|3,0,0]=4 423 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,0,0,0,0,1|2,0,1]=4 424 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,0,0,0,0,1|2,0,1]=4 425 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [2,0,0,0,0,0|1,0,1]=4 426 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [2,0,0,0,0,0|1,0,1]=4 427 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [2,0,0,0,0,0|1,0,1]=4 428 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [2,0,0,0,0,0|1,0,1]=4 429 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [2,0,0,0,0,0|1,0,1]=4 430 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [2,0,0,0,0,0|1,0,1]=4 431 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [2,0,0,0,0,0|0,0,1]=3 432 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [2,0,0,0,0,0|1,0,1]=4 433 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [2,0,0,0,0,0|1,0,1]=4 434 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [2,0,0,0,0,0|0,0,1]=3 435 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [2,0,0,0,0,0|1,0,1]=4 436 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [2,0,0,0,0,0|1,0,1]=4 437 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|0,0,1]=3 438 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|0,0,1]=3 439 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|1,0,1]=4 440 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [2,0,0,0,0,0|1,0,1]=4 441 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|1,0,1]=4 442 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [2,0,0,0,0,0|1,0,1]=4 443 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [2,0,0,0,0,0|1,0,0]=3 444 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [2,0,0,0,0,0|1,0,0]=3 445 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [2,0,0,0,0,0|1,0,0]=3 446 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [2,0,0,0,0,0|1,0,0]=3 447 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|0,0,1]=3 448 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [2,0,0,0,0,0|1,0,1]=4 449 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|1,0,1]=4 450 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [2,0,0,0,0,0|1,0,1]=4 451 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [2,0,0,0,0,0|1,0,1]=4 452 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [2,0,0,0,0,0|1,0,1]=4 453 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [2,0,0,0,0,0|1,0,1]=4 454 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [2,0,0,0,0,0|1,0,1]=4 455 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [2,0,0,0,0,0|1,0,1]=4 456 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,0]=3 457 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,0]=3 458 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,1]=4 459 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|2,0,0]=4 460 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|2,0,0]=4 461 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [2,0,0,0,0,0|1,0,0]=3 462 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [2,0,0,0,0,0|1,0,0]=3 463 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|1,0,1]=4 464 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|1,0,1]=4 465 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|1,0,1]=4 466 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 467 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 468 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 469 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [2,0,0,0,0,0|2,0,0]=4 470 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|1,0,1]=4 471 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|1,0,1]=4 472 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [1,1,0,0,0,0|1,0,0]=3 473 B8R0.2 C/C=C(\C)/C(=O)N(C)C 11a_100102631434_100020587367 [1,1,0,0,0,0|2,0,0]=4 474 B8R0.2 C/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100020587367 [1,1,0,0,0,0|2,0,0]=4 475 B8R0.2 C=CC(C)C(=O)C(C)C 1458a_100011216780_100000210206 [1,1,0,0,0,0|1,0,1]=4 476 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [1,1,0,0,0,0|1,0,1]=4 477 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [1,1,0,0,0,0|1,0,1]=4 478 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,1,0,0,0,0|1,0,0]=3 479 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [1,1,0,0,0,0|1,0,0]=3 480 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [1,1,0,0,0,0|1,0,0]=3 481 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [1,1,0,0,0,0|1,0,0]=3 482 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [1,1,0,0,0,0|1,0,0]=3 483 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [1,1,0,0,0,0|1,0,0]=3 484 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|0,0,2]=4 485 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|1,0,1]=4 486 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|1,0,1]=4 487 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,1,0,0,0,0|2,0,0]=4 488 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,1,0,0,0,0|2,0,0]=4 489 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,1,0,0,0,0|2,0,0]=4 490 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|1,0,1]=4 491 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|1,0,1]=4 492 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|1,0,1]=4 493 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|1,0,1]=4 494 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|1,0,1]=4 495 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|1,0,0]=3 496 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|1,0,0]=3 497 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|0,0,2]=4 498 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|0,0,2]=4 499 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,1,0,0,0,0|1,0,1]=4 500 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,1,0,0,0,0|1,0,1]=4 501 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,1,0,0,0,0|1,0,1]=4 502 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|1,0,1]=4 503 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|0,0,2]=4 504 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|0,0,2]=4 505 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,0,0,0,0|1,0,1]=4 506 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,0,0,0,0|1,0,1]=4 507 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [1,1,0,0,0,0|0,0,2]=4 508 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [1,1,0,0,0,0|1,0,0]=3 509 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|0,0,2]=4 510 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [1,1,0,0,0,0|1,0,1]=4 511 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [1,1,0,0,0,0|1,0,1]=4 512 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [1,1,0,0,0,0|2,0,0]=4 513 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,1,0,0,0,0|1,0,1]=4 514 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,1,0,0,0,0|1,0,1]=4 515 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,1,0,0,0,0|1,0,0]=3 516 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,1,0,0,0,0|1,0,1]=4 517 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [1,1,0,0,0,0|1,0,0]=3 518 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [1,1,0,0,0,0|1,0,0]=3 519 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [1,1,0,0,0,0|1,0,0]=3 520 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|1,0,1]=4 521 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|1,0,1]=4 522 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|1,0,1]=4 523 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|1,0,1]=4 524 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|1,0,1]=4 525 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,1,0,0,0,0|1,0,1]=4 526 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,1,0,0,0,0|1,0,1]=4 527 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [1,1,0,0,0,0|1,0,1]=4 528 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,1,0,0,1,0|1,0,1]=4 529 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,1,0,0,1,0|1,0,1]=4 530 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,0,0,1,0|0,0,1]=3 531 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,0,0,1,0|1,0,1]=4 532 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,1,0,0,1,0|2,0,0]=4 533 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,1,0,0,1,0|2,0,0]=4 534 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,1,0,0,1,0|2,0,0]=4 535 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,1,0,0,1,0|2,0,0]=4 536 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,1,0,0,1,0|1,0,1]=4 537 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,1,0,0,1,0|1,0,1]=4 538 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,1,0,0,1,0|1,0,1]=4 539 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,1,0,0,1,0|1,0,1]=4 540 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,0,0,1,0|1,0,1]=4 541 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,0,0,1,0|0,0,1]=3 542 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,1,0,0,1,0|1,0,1]=4 543 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,1,0,0,1,0|1,0,1]=4 544 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,1,0,0,1,0|1,0,1]=4 545 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,1,0,0,1,0|2,0,0]=4 546 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,1,0,0,1,0|2,0,0]=4 547 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,1,0,0,1,0|2,0,0]=4 548 B10R0.13 CC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000179758 [0,1,0,0,0,1|1,0,1]=4 549 B10R0.13 CC(=O)C(C)C(=O)NC(C)C 1458a_100000070787_100000195394 [0,1,0,0,0,1|1,0,1]=4 550 B10R0.13 CC(C)CC(=O)C(C)C(=O)N 1458a_100000210554_100000702099 [0,1,0,0,0,1|1,0,1]=4 551 B10R0.13 CC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000210760 [0,1,0,0,0,1|0,0,2]=4 552 B10R0.43 CC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000210206 [0,1,0,0,0,1|0,0,2]=4 553 B10R0.43 CC(C)NOC(C)(C)C(=O)O 269956a_100016989451_100000210206 [0,1,0,0,0,1|1,0,1]=4 554 B10R0.57 C=C(CNC(C)C)C(=O)OC 34a_100138425928_100009813391 [0,1,0,0,0,1|0,0,2]=4 555 B10R0.57 C=C(COC(C)C)C(=O)OC 34a_100000212225_100009813391 [0,1,0,0,0,1|0,0,2]=4 556 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100000210206_100009813391 [0,1,0,0,0,1|0,0,2]=4 557 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100009813391_100000210206 [0,1,0,0,0,1|0,0,2]=4 558 B10R0.57 CC(=NO)C(=NNC(C)C)C 4a_100000741168_100000066335 [0,1,0,0,0,1|2,0,0]=4 559 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,1,0,0,0,1|0,0,2]=4 560 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,1,0,0,0,1|1,0,1]=4 561 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,1,0,0,0,1|1,0,1]=4 562 B10R0.57 COC(=O)C(=NNC(C)C)C 4a_100000741168_100000211753 [0,1,0,0,0,1|1,0,0]=3 563 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,1,0,0,0,1|1,0,1]=4 564 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,1,0,0,0,1|1,0,1]=4 565 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,1,0,0,0,1|1,0,1]=4 566 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,1,0,0,0,1|1,0,1]=4 567 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,1,0,0,0,1|1,0,1]=4 568 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,1,0,0,0,1|1,0,1]=4 569 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,1,0,0,0,1|1,0,1]=4 570 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,1,0,0,0,1|1,0,1]=4 571 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,1,0,0,0,1|0,0,2]=4 572 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,1,0,0,0,1|0,0,2]=4 573 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,1,0,0,0,1|0,0,2]=4 574 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,1,0,0,0,1|0,0,2]=4 575 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,1,0,0,0,1|0,0,2]=4 576 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,1,0,0,0,1|0,0,2]=4 577 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,1,0,0,0,1|0,0,2]=4 578 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,1,0,0,0,1|0,0,2]=4 579 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,1,0,0,0,1|0,0,2]=4 580 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,1,0,0,0,1|0,0,2]=4 581 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,1,0,0,0,1|0,0,2]=4 582 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,1,0,0,0,1|0,0,2]=4 583 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,1|0,0,2]=4 584 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,1,0,0,0,1|0,0,2]=4 585 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,1,0,0,0,1|0,0,2]=4 586 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,1,0,0,0,1|0,0,2]=4 587 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,1,0,0,0,1|0,0,2]=4 588 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,1|0,0,2]=4 589 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,1,0,0,0,1|0,0,2]=4 590 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,1,0,0,0,1|0,0,2]=4 591 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,1,0,0,0,1|0,0,2]=4 592 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,1,0,0,0,1|0,0,2]=4 593 B10R0.92 CC(CNC(C)(C)C)C(=O)O 269956a_100000749485_100000211941 [0,1,0,0,0,1|0,0,2]=4 594 B10R0.92 C[C@H](NCC(C)(C)C)C(=O)O 269956a_100000743915_100011219605 [0,1,0,0,0,1|0,0,2]=4 595 B10R0.92 C[C@H](NCC(C)(C)F)C(=O)O 269956a_100000743915_100011997219 [0,1,0,0,0,1|0,0,2]=4 596 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,1,0,0,0,1|0,0,2]=4 597 B10R0.93 CC(=O)C(=O)CC(=O)C(C)C 1458a_100000210198_100011261029 [0,1,0,0,0,1|2,0,0]=4 598 B10R0.93 CC(=O)N(C)CC(=O)C(C)C 1458a_100000194957_100000210206 [0,1,0,0,0,1|2,0,0]=4 599 B10R0.93 CC(C)C(=O)CN(C)C(=O)N 1458a_100000218718_100000210206 [0,1,0,0,0,1|2,0,0]=4 600 B10R0.93 CC(C)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210198 [0,1,0,0,0,1|1,0,1]=4 601 B10R0.93 CC(C)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210198 [0,1,0,0,0,1|1,0,1]=4 602 B10R0.93 CC(C)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210198 [0,1,0,0,0,1|1,0,1]=4 603 B10R0.31 CN(CC(=O)O)CC(C)(C)C 269956a_100000746989_100011219605 [0,1,0,0,0,1|1,0,1]=4 604 B10R0.31 CN(CC(=O)O)CC(C)(C)F 269956a_100000746989_100011997219 [0,1,0,0,0,1|1,0,1]=4 605 B10R0.31 CN(CC(=O)O)CC(C)(C)O 269956a_100000746989_100000764493 [0,1,0,0,0,1|1,0,1]=4 606 B10R0.44 CC(C)CC(C)NC(=O)CO 240690a_100000692259_100000210174 [0,1,0,0,0,1|0,0,2]=4 607 B10R0.44 CC(C)CC(C)NC(=O)CO 527a_100000692259_100000210174 [0,1,0,0,0,1|0,0,2]=4 608 B10R0.44 CC(C)NC(=O)CC(=O)CO 1458a_100000210174_100000183996 [0,1,0,0,0,1|2,0,0]=4 609 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [0,1,0,0,0,1|2,0,0]=4 610 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,1,0,0,0,1|1,0,1]=4 611 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,1,0,0,0,1|1,0,1]=4 612 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [0,1,0,0,0,1|1,0,1]=4 613 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,1,0,0,0,1|1,0,1]=4 614 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,1,0,0,0,1|1,0,1]=4 615 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [0,1,0,0,0,1|2,0,0]=4 616 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [0,1,0,0,0,1|1,0,1]=4 617 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [0,1,0,0,0,1|1,0,1]=4 618 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [0,1,0,0,0,1|1,0,1]=4 619 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [0,1,0,0,0,1|1,0,1]=4 620 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [0,1,0,0,0,1|1,0,1]=4 621 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,1,0,0,0,1|1,0,1]=4 622 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,1,0,0,0,1|1,0,1]=4 623 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,1,0,0,0,1|1,0,1]=4 624 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,1,0,0,0,1|1,0,1]=4 625 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,1,0,0,0,1|1,0,1]=4 626 B10R0.70 CC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000210206 [0,1,0,0,0,1|1,0,1]=4 627 B10R0.70 CCN(CC(=O)O)CC(C)C 269956a_100000746405_100000210760 [0,1,0,0,0,1|1,0,1]=4 628 B10R0.70 CC[C@H](CC(=O)O)NC(C)C 269956a_100016995926_100000210206 [0,1,0,0,0,1|1,0,1]=4 629 B10R0.165 CC(C)NC(C)(C)CC(=O)O 269956a_100000755897_100000210206 [0,1,0,0,0,1|1,0,1]=4 630 B10R0.154 CC(=O)C(C)C(=O)C(C)(C)C 1458a_100000070787_100009893019 [0,2,0,0,0,0|1,0,1]=4 631 B10R0.154 CC(=O)C(C)C(=O)C(C)(C)C 1458a_106744555173_100000179758 [0,2,0,0,0,0|1,0,1]=4 632 B10R0.154 CC(=O)C(C)C(=O)C(C)(C)F 1458a_100000765255_100000179758 [0,2,0,0,0,0|1,0,1]=4 633 B10R0.154 CC(=O)C(C)C(=O)C(C)(C)O 1458a_100000242741_100000179758 [0,2,0,0,0,0|1,0,1]=4 634 B10R0.154 CC(C(=O)N)C(=O)C(C)(C)C 1458a_106744555173_100000702099 [0,2,0,0,0,0|1,0,1]=4 635 B10R0.154 CC(C(=O)N)C(=O)C(C)(C)F 1458a_100000765255_100000702099 [0,2,0,0,0,0|1,0,1]=4 636 B10R0.154 CC(C(=O)N)C(=O)C(C)(C)O 1458a_100000242741_100000702099 [0,2,0,0,0,0|1,0,1]=4 637 B10R0.154 CC(C(=O)O)N(C)C(C)(C)C 269956a_100000749554_100000211941 [0,2,0,0,0,0|1,0,1]=4 638 B10R0.119 CCC(C)(NC(C)C)C(=O)O 269956a_100025756313_100000210206 [0,2,0,0,0,0|1,0,1]=4 639 B10R0.141 COC(=O)C(C)(C)NC(C)C 2230a_100138425928_100000689032 [0,2,0,0,0,0|1,0,1]=4 640 B10R0.141 COC(=O)C(C)(C)OC(C)C 34a_100011217581_100000210206 [0,2,0,0,0,0|1,0,1]=4 641 B10R0.141 COC(=O)C(C)(C)OC(C)C 7a_100011217581_100000210206 [0,2,0,0,0,0|1,0,1]=4 642 B10R0.141 COC(=O)C(C)(C)SC(C)C 62a_100000210206_100000689032 [0,2,0,0,0,0|1,0,1]=4 643 B10R0.141 COC(=O)C(C)(C)SC(C)C 62a_100000689032_100000210206 [0,2,0,0,0,0|1,0,1]=4 644 B10R0.141 COC(=O)C(C)(F)NC(C)C 2230a_100138425928_200009867631 [0,2,0,0,0,0|1,0,1]=4 645 B10R0.141 COC(=O)C(C)(F)NC(C)C 34a_100138425928_200009867631 [0,2,0,0,0,0|1,0,1]=4 646 B10R0.141 COC(=O)C(C)(F)OC(C)C 34a_100000212225_200009867631 [0,2,0,0,0,0|1,0,1]=4 647 B10R0.141 COC(=O)C(C)(F)SC(C)C 62a_100000210206_200009867631 [0,2,0,0,0,0|1,0,1]=4 648 B10R0.141 COC(=O)C(C)(F)SC(C)C 62a_200009867631_100000210206 [0,2,0,0,0,0|1,0,1]=4 649 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,2,0,0,0,0|0,0,2]=4 650 B10R0.32 CC(C)CN(C)C(=O)CCO 240690a_100000747067_100011216618 [0,2,0,0,0,0|1,0,1]=4 651 B10R0.32 CC(C)NC(=O)C(=O)CCO 1458a_100011220036_100000211926 [0,2,0,0,0,0|2,0,0]=4 652 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,2,0,0,0,0|2,0,0]=4 653 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,2,0,0,0,0|2,0,0]=4 654 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,2,0,0,0,0|2,0,0]=4 655 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,2,0,0,0,0|1,0,1]=4 656 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,2,0,0,0,0|1,0,1]=4 657 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,2,0,0,0,0|1,0,1]=4 658 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,2,0,0,0,0|1,0,1]=4 659 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,2,0,0,0,0|1,0,1]=4 660 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,2,0,0,0,0|1,0,1]=4 661 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,2,0,0,0,0|0,0,2]=4 662 B10R0.32 COCC(=O)N(C)CC(C)C 11a_100000747067_100000210968 [0,2,0,0,0,0|1,0,1]=4 663 B10R0.32 COCC(=O)N(C)CC(C)C 1626a_100000747067_100000210968 [0,2,0,0,0,0|1,0,1]=4 664 B10R0.32 COCC(=O)N(C)CC(C)C 240690a_100000747067_100000210968 [0,2,0,0,0,0|1,0,1]=4 665 B10R0.32 COCC(=O)N(C)CC(C)C 527a_100000747067_100000210968 [0,2,0,0,0,0|1,0,1]=4 666 B10R0.37 CN(CC(C)(C)C)C(=O)CO 240690a_100000742839_100000210174 [0,2,0,0,0,0|1,0,1]=4 667 B10R0.37 CN(CC(C)(C)C)C(=O)CO 527a_100000742839_100000210174 [0,2,0,0,0,0|1,0,1]=4 668 B10R0.37 CN(CC(C)(C)O)C(=O)CO 240690a_100000755907_100000210174 [0,2,0,0,0,0|1,0,1]=4 669 B10R0.37 CN(CC(C)(C)O)C(=O)CO 527a_100000755907_100000210174 [0,2,0,0,0,0|1,0,1]=4 670 B10R0.37 COC(=O)C(=O)NC(C)(C)C 11a_100000715429_100000024059 [0,2,0,0,0,0|2,0,0]=4 671 B10R0.37 COC(=O)C(=O)NC(C)(C)C 1626a_100000715429_100000024059 [0,2,0,0,0,0|2,0,0]=4 672 B10R0.37 COC(=O)C(=O)NC(C)(C)C 240690a_100000715429_100000024059 [0,2,0,0,0,0|2,0,0]=4 673 B10R0.37 COC(=O)C(=O)NC(C)(C)C 527a_100000715429_100000024059 [0,2,0,0,0,0|2,0,0]=4 674 B10R0.37 COC(=O)C(C)NC(C)(C)C 2230a_100000715429_100000211248 [0,2,0,0,0,0|1,0,1]=4 675 B10R0.37 COC(=O)C(C)OC(C)(C)C 34a_100011215400_100000210625 [0,2,0,0,0,0|1,0,1]=4 676 B10R0.37 COC(=O)C(C)OC(C)(C)C 34a_100015890283_100000211248 [0,2,0,0,0,0|1,0,1]=4 677 B10R0.37 COC(=O)C(C)OC(C)(C)C 7a_100015890283_100000211248 [0,2,0,0,0,0|1,0,1]=4 678 B10R0.37 COC(=O)C(C)SC(C)(C)C 62a_100000211248_100000211941 [0,2,0,0,0,0|1,0,1]=4 679 B10R0.37 COC(=O)C(C)SC(C)(C)C 62a_100000211941_100000211248 [0,2,0,0,0,0|1,0,1]=4 680 B10R0.46 CCC(C)CN(C)C(=O)CO 240690a_100000753921_100000210174 [0,2,0,0,0,0|1,0,1]=4 681 B10R0.46 CCC(C)CN(C)C(=O)CO 527a_100000753921_100000210174 [0,2,0,0,0,0|1,0,1]=4 682 B10R0.46 CCC(C)NC(=O)C(=O)OC 11a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 683 B10R0.46 CCC(C)NC(=O)C(=O)OC 1626a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 684 B10R0.46 CCC(C)NC(=O)C(=O)OC 240690a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 685 B10R0.46 CCC(C)NC(=O)C(=O)OC 527a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 686 B10R0.46 CCC(C)NC(C)C(=O)OC 2230a_100000209981_100000211248 [0,2,0,0,0,0|1,0,1]=4 687 B10R0.46 CCC(C)OC(C)C(=O)OC 34a_100011215400_100011215416 [0,2,0,0,0,0|1,0,1]=4 688 B10R0.46 CCC(C)OC(C)C(=O)OC 7a_100000210228_100000211248 [0,2,0,0,0,0|1,0,1]=4 689 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000211248_100000758301 [0,2,0,0,0,0|1,0,1]=4 690 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000758301_100000211248 [0,2,0,0,0,0|1,0,1]=4 691 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 11a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 692 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 693 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 694 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 527a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 695 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100000024059 [0,2,0,0,0,0|2,0,0]=4 696 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 527a_100000737577_100000024059 [0,2,0,0,0,0|2,0,0]=4 697 B10R0.46 COC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000211248 [0,2,0,0,0,0|1,0,1]=4 698 B10R0.46 COC(=O)C(C)OC(C)CF 34a_100016041109_100000211248 [0,2,0,0,0,0|1,0,1]=4 699 B10R0.46 COC(=O)C(C)OC(C)CF 7a_100016041109_100000211248 [0,2,0,0,0,0|1,0,1]=4 700 B10R0.46 COC(=O)C(C)OC(C)CN 34a_100000210904_100000211248 [0,2,0,0,0,0|1,0,1]=4 701 B10R0.46 COC(=O)C(C)OC(C)CO 34a_100011215400_100012180447 [0,2,0,0,0,0|1,0,1]=4 702 B10R0.46 COC(=O)C(C)SC(C)CO 62a_100012180447_100000211248 [0,2,0,0,0,0|1,0,1]=4 703 B10R0.46 COC(=O)C(C)SC(C)OC 62a_100000211248_100009879195 [0,2,0,0,0,0|1,0,1]=4 704 B10R0.46 COC(=O)C(C)SC(C)OC 62a_100009879195_100000211248 [0,2,0,0,0,0|1,0,1]=4 705 B10R0.46 COC(=O)C(C)S[C@H](C)CO 62a_100000211248_100016084084 [0,2,0,0,0,0|1,0,1]=4 706 B10R0.46 COC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000211248 [0,2,0,0,0,0|1,0,1]=4 707 B10R0.54 CC(C)/C=C(\C#N)/C(=O)CF 1458a_200042966509_100015361967 [0,2,0,0,0,0|1,0,1]=4 708 B10R0.54 CCC(=O)/C(=C/C(C)C)/C#N 1458a_200042966509_100000210202 [0,2,0,0,0,0|1,0,1]=4 709 B10R0.54 CCC(NC(C)C)C(=O)OC 2230a_100138425928_100000235869 [0,2,0,0,0,0|1,0,1]=4 710 B10R0.54 CCC(NC(C)C)C(=O)OC 34a_100138425928_100000235869 [0,2,0,0,0,0|1,0,1]=4 711 B10R0.54 CCC(OC(C)C)C(=O)OC 34a_100000212225_100000235869 [0,2,0,0,0,0|1,0,1]=4 712 B10R0.54 CCC(OC(C)C)C(=O)OC 34a_100000695916_100000210206 [0,2,0,0,0,0|1,0,1]=4 713 B10R0.54 CCC(OC(C)C)C(=O)OC 7a_100000695916_100000210206 [0,2,0,0,0,0|1,0,1]=4 714 B10R0.54 CCC(SC(C)C)C(=O)OC 62a_100000210206_100000235869 [0,2,0,0,0,0|1,0,1]=4 715 B10R0.54 CCC(SC(C)C)C(=O)OC 62a_100000235869_100000210206 [0,2,0,0,0,0|1,0,1]=4 716 B10R0.54 CCN(CC(C)C)C(=O)CO 240690a_100000738554_100000210174 [0,2,0,0,0,0|1,0,1]=4 717 B10R0.54 CCN(CC(C)C)C(=O)CO 527a_100000738554_100000210174 [0,2,0,0,0,0|1,0,1]=4 718 B10R0.54 CNC(=O)/C(=C/C(C)C)/C#N 1626a_100102657272_200042966509 [0,2,0,0,0,0|1,0,1]=4 719 B10R0.54 COC(=O)C(CN)OC(C)C 34a_100000695228_100000210206 [0,2,0,0,0,0|1,0,1]=4 720 B10R0.54 COC(=O)C(CO)NC(C)C 34a_100138425928_100012276630 [0,2,0,0,0,0|1,0,1]=4 721 B10R0.54 COC(=O)C(CO)OC(C)C 34a_100000212225_100012276630 [0,2,0,0,0,0|1,0,1]=4 722 B10R0.54 COC(=O)C(CO)SC(C)C 62a_100000210206_100012276630 [0,2,0,0,0,0|1,0,1]=4 723 B10R0.54 COC(=O)C(CO)SC(C)C 62a_100012276630_100000210206 [0,2,0,0,0,0|1,0,1]=4 724 B10R0.54 COC(=O)C(NC(C)C)OC 34a_100138425928_100000101307 [0,2,0,0,0,0|1,0,1]=4 725 B10R0.54 COC(=O)C(OC)OC(C)C 34a_100000036821_100000210206 [0,2,0,0,0,0|1,0,1]=4 726 B10R0.54 COC(=O)C(OC)OC(C)C 34a_100000212225_100000101307 [0,2,0,0,0,0|1,0,1]=4 727 B10R0.54 COC(=O)C(OC)SC(C)C 62a_100000101307_100000210206 [0,2,0,0,0,0|1,0,1]=4 728 B10R0.54 COC(=O)C(OC)SC(C)C 62a_100000210206_100000101307 [0,2,0,0,0,0|1,0,1]=4 729 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 34a_100014169393_200000210301 [0,2,0,0,0,0|0,0,2]=4 730 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 7a_100014169393_200000210301 [0,2,0,0,0,0|0,0,2]=4 731 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 34a_100014169393_200025704644 [0,2,0,0,0,0|0,0,2]=4 732 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 7a_100014169393_200025704644 [0,2,0,0,0,0|0,0,2]=4 733 B10R0.56 C#CC(=O)C(C)C(=O)C(C)C 1458a_100000211873_100009893295 [0,2,0,0,0,0|1,0,1]=4 734 B10R0.56 C=CC(=O)C(C)C(=O)C(C)C 1458a_100000185746_100009893295 [0,2,0,0,0,0|1,0,1]=4 735 B10R0.56 CC(C(=O)CO)C(=O)N(C)C 1458a_100000210174_100000209910 [0,2,0,0,0,0|1,0,1]=4 736 B10R0.56 CC(C(=O)O)N(C)[C@H](C)CO 269956a_100000749554_100016084084 [0,2,0,0,0,0|1,0,1]=4 737 B10R0.56 CC(C)C(=O)C(C)C(=O)CO 1458a_100000210174_100009893295 [0,2,0,0,0,0|0,0,1]=3 738 B10R0.56 CC(C)C(C)N(C)C(=O)CO 240690a_100000228512_100000210174 [0,2,0,0,0,0|1,0,1]=4 739 B10R0.56 CC(C)C(C)N(C)C(=O)CO 527a_100000228512_100000210174 [0,2,0,0,0,0|1,0,1]=4 740 B10R0.56 CCC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000742827 [0,2,0,0,0,0|1,0,1]=4 741 B10R0.56 CCC(=O)C(C)C(=O)C(C)C 1458a_100000210414_100009893295 [0,2,0,0,0,0|1,0,1]=4 742 B10R0.56 CCC(C)C(=O)C(C)C(=O)C 1458a_100011192722_100000179758 [0,2,0,0,0,0|1,0,1]=4 743 B10R0.56 CCC(C)C(=O)C(C)C(=O)N 1458a_100011192722_100000702099 [0,2,0,0,0,0|1,0,1]=4 744 B10R0.56 CCC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000758301 [0,2,0,0,0,0|1,0,1]=4 745 B10R0.56 CNC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000209862 [0,2,0,0,0,0|1,0,1]=4 746 B10R0.56 COC(=O)C(=O)N(C)C(C)C 11a_200000211004_100000024059 [0,2,0,0,0,0|2,0,0]=4 747 B10R0.56 COC(=O)C(=O)N(C)C(C)C 1626a_200000211004_100000024059 [0,2,0,0,0,0|2,0,0]=4 748 B10R0.56 COC(=O)C(=O)N(C)C(C)C 240690a_200000211004_100000024059 [0,2,0,0,0,0|2,0,0]=4 749 B10R0.56 COC(=O)C(=O)N(C)C(C)C 527a_200000211004_100000024059 [0,2,0,0,0,0|2,0,0]=4 750 B10R0.56 COC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000211248 [0,2,0,0,0,0|0,0,1]=3 751 B10R0.56 COC(=O)C(C)C(=O)C(C)C 1458a_100012027023_100000210206 [0,2,0,0,0,0|0,0,1]=3 752 B10R0.56 COC(=O)C(C)C(=O)C(C)F 1458a_100000062450_100000211248 [0,2,0,0,0,0|1,0,1]=4 753 B10R0.56 COC(=O)C(C)C(=O)N(C)C 11a_100102631434_100012027023 [0,2,0,0,0,0|1,0,1]=4 754 B10R0.56 COC(=O)C(C)C(=O)N(C)C 1626a_100102631434_100012027023 [0,2,0,0,0,0|1,0,1]=4 755 B10R0.56 COC(=O)C(C)C(=O)N(C)C 240690a_100102631434_100012027023 [0,2,0,0,0,0|1,0,1]=4 756 B10R0.56 COC(=O)C(C)C(=O)N(C)C 527a_100102631434_100012027023 [0,2,0,0,0,0|1,0,1]=4 757 B10R0.56 COC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000211248 [0,2,0,0,0,0|1,0,1]=4 758 B10R0.56 COC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000211248 [0,2,0,0,0,0|1,0,1]=4 759 B10R0.56 COC(=O)C(C)N(C)C(C)C 2230a_100000725243_100000210206 [0,2,0,0,0,0|1,0,1]=4 760 B10R0.56 COC(=O)C(C)N(C)C(C)C 269982a_100000725243_100000210206 [0,2,0,0,0,0|1,0,1]=4 761 B10R0.56 COC(=O)C(C)N(C)C(C)C 269982a_200000211004_100000211248 [0,2,0,0,0,0|1,0,1]=4 762 B10R0.56 COC(C)C(=O)C(C)C(=O)C 1458a_100000743197_100000179758 [0,2,0,0,0,0|1,0,1]=4 763 B10R0.56 COC(C)C(=O)C(C)C(=O)N 1458a_100000743197_100000702099 [0,2,0,0,0,0|1,0,1]=4 764 B10R0.56 COC(C)N(C)C(C)C(=O)O 269956a_100000749554_100009879195 [0,2,0,0,0,0|1,0,1]=4 765 B10R0.56 CSC(C)C(=O)C(C)C(=O)C 1458a_100000149566_100000179758 [0,2,0,0,0,0|1,0,1]=4 766 B10R0.56 CSC(C)C(=O)C(C)C(=O)N 1458a_100000149566_100000702099 [0,2,0,0,0,0|1,0,1]=4 767 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,2,0,0,0,0|1,0,1]=4 768 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [0,2,0,0,0,0|1,0,1]=4 769 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [0,2,0,0,0,0|1,0,1]=4 770 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [0,2,0,0,0,0|1,0,1]=4 771 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,2,0,0,0,0|1,0,1]=4 772 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,2,0,0,0,0|1,0,1]=4 773 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [0,2,0,0,0,0|1,0,1]=4 774 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [0,2,0,0,0,0|1,0,1]=4 775 B10R0.53 COC(C)NC(CO)C(=O)O 269956a_100000187304_100009879195 [0,2,0,0,0,0|1,0,1]=4 776 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,2,0,0,0,0|1,0,1]=4 777 B10R0.76 CC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210206 [0,2,0,0,0,0|1,0,1]=4 778 B10R0.76 CCC(C(=O)N)C(=O)C(C)C 1458a_100000210198_100000750255 [0,2,0,0,0,0|1,0,1]=4 779 B10R0.95 CC(C)(C)CC(N[13CH3])C(=O)O 269956a_100000691758_200025704644 [0,2,0,0,0,0|0,0,2]=4 780 B10R0.95 CC(C)(C)NC(CO)C(=O)O 269956a_100000187304_100000211941 [0,2,0,0,0,0|1,0,1]=4 781 B10R0.95 CC(C)(F)C[C@H](N[13CH3])C(=O)O 269956a_100016039316_200025704644 [0,2,0,0,0,0|0,0,2]=4 782 B10R0.95 CC[C@@H](NC(C)(C)C)C(=O)O 269956a_100000747097_100000211941 [0,2,0,0,0,0|1,0,1]=4 783 B10R0.95 CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_200000210301 [0,2,0,0,0,0|0,0,2]=4 784 B10R0.95 CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_200000210301 [0,2,0,0,0,0|0,0,2]=4 785 B10R0.162 CC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000210206 [0,2,0,0,0,0|1,0,1]=4 786 B10R0.162 CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210206 [0,2,0,0,0,0|1,0,1]=4 787 B10R0.26 CC(CC#N)N[C@@H](C)C(=O)O 269956a_100000743915_100009813641 [0,2,0,0,0,0|1,0,1]=4 788 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,2,0,0,0,0|1,0,1]=4 789 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,0,0,0,0|1,0,1]=4 790 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,2,0,0,0,0|1,0,1]=4 791 B10R0.67 C#CC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000038118 [0,2,0,0,0,0|1,0,1]=4 792 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,2,0,0,0,0|1,0,1]=4 793 B10R0.72 CCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100000210505 [0,2,0,0,0,0|1,0,1]=4 794 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [1,0,0,1,0,0|1,0,1]=4 795 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [1,0,0,1,0,0|2,0,0]=4 796 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|1,0,0]=3 797 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,1,0,0|2,0,0]=4 798 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,1,0,0|2,0,0]=4 799 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|1,0,0]=3 800 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,1,0,0|2,0,0]=4 801 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,1,0,0|2,0,0]=4 802 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|1,0,0]=3 803 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,1]=4 804 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|1,0,0]=3 805 B10R1.58 CC1=CC(OC1=O)N(C)C 2230a_100102631434_200009893386 [0,0,0,1,0,1|1,0,0]=3 806 B10R1.58 Cc1nn(cc1O)C(C)C 271570a_203496583355_100012354293 [0,0,0,1,0,1|2,0,0]=4 807 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,0,0,1,0,1|0,0,2]=4 808 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,0,0,1,0,1|0,0,2]=4 809 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,0,0,1,0,1|1,0,1]=4 810 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [0,0,0,1,0,1|1,0,1]=4 811 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [0,0,0,1,0,1|1,0,1]=4 812 B10R1.268 CN(CC(=O)O)CC1CC1 269956a_100000746989_100000742324 [0,0,0,1,0,1|1,0,1]=4 813 B10R1.442 CC(C)NC1(CC1)C(=O)O 269956a_100000746478_100000210206 [0,1,0,1,0,0|1,0,1]=4 814 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,1,0,0|1,0,1]=4 815 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,1,0,0|1,0,1]=4 816 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,1,0,1,0,0|1,0,1]=4 817 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,1,0,1,0,0|1,0,1]=4 818 B10R1.64 CC(C)N[C@@H]1CONC1=O 2230a_100000765999_100000210206 [0,1,0,1,0,0|1,0,1]=4 819 B10R1.64 CC(C)N[C@@H]1CONC1=O 34a_100000765999_100000210206 [0,1,0,1,0,0|1,0,1]=4 820 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,1,0,1,0,0|1,0,1]=4 821 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,1,0,1,0,0|1,0,1]=4 822 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,1,0,1,0,0|1,0,1]=4 823 B10R1.184 CN(CC1CC1)C(=O)CO 240690a_100000741881_100000210174 [0,1,0,1,0,0|1,0,1]=4 824 B10R1.184 CN(CC1CC1)C(=O)CO 527a_100000741881_100000210174 [0,1,0,1,0,0|1,0,1]=4 825 B10R1.184 COC(=O)C(=O)NC1CC1 1626a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 826 B10R1.184 COC(=O)C(=O)NC1CC1 240690a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 827 B10R1.184 COC(=O)C(=O)NC1CC1 527a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 828 B10R1.184 COC(=O)C(C)NC1CC1 34a_100000212008_100000211248 [0,1,0,1,0,0|1,0,1]=4 829 B10R1.184 COC(=O)C(C)OC1CC1 34a_100011215400_100000211595 [0,1,0,1,0,0|1,0,1]=4 830 B10R1.184 COC(=O)C(C)SC1CC1 62a_100000211248_100000211595 [0,1,0,1,0,0|1,0,1]=4 831 B10R1.408 COC(=O)C1CN1C(C)C 2230a_200009830135_100000210206 [0,1,0,1,0,0|1,0,1]=4 832 B10R1.413 CC1(CN(C1)C(=O)CO)C 240690a_100000753659_100000210174 [0,1,0,1,0,0|1,0,1]=4 833 B10R1.413 CC1(CN(C1)C(=O)CO)C 527a_100000753659_100000210174 [0,1,0,1,0,0|1,0,1]=4 834 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,1,0,1,0,0|1,0,1]=4 835 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [0,1,0,1,0,0|1,0,1]=4 836 B10R1.469 O=C(O)C(CO)NC1CC1 269956a_100000187304_100000211595 [0,1,0,1,0,0|1,0,1]=4 837 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|0,0,2]=4 838 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|0,0,2]=4 839 B10R1.116 CC(C)C(=O)C1CCC1=O 1458a_100000210198_100009892977 [0,1,0,1,0,0|1,0,1]=4 840 B10R1.118 Cc1cc(c(cc1C)O)C 271570a_203496583355_100000759388 [0,1,0,1,0,0|1,0,1]=4 841 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,0,1,0,0|1,0,1]=4 842 B10R1.204 C[C@H](NC1COC1)C(=O)O 269956a_100000743915_100009818527 [0,1,0,1,0,0|1,0,1]=4 843 B10R1.278 CC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000179758 [0,1,0,1,0,0|1,0,1]=4 844 B10R1.278 CC(C(=O)N)C(=O)C1CC1 1458a_100000210395_100000702099 [0,1,0,1,0,0|1,0,1]=4 845 B10R1.278 CC(C(=O)O)N(C)C1CC1 269956a_100000749554_100000211595 [0,1,0,1,0,0|1,0,1]=4 846 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,0,0,0,0,1|1,0,0]=3 847 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [1,0,0,0,0,1|2,0,0]=4 848 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [1,0,0,0,0,1|2,0,0]=4 849 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,0,0,0,0,1|1,0,0]=3 850 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,0,1|0,0,2]=4 851 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,0,0,0,0,1|1,0,1]=4 852 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [1,0,0,0,0,1|2,0,0]=4 853 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,0,0,0,0,2|1,0,1]=4 854 B10R0.96 CC(C)C=CC(=O)CC(=O)N 1458a_100016268746_100000187820 [0,0,0,0,0,2|2,0,0]=4 855 B10R0.96 CC(C)C=CC(=O)CC(=O)[O-] 1458a_100016268746_100020667443 [0,0,0,0,0,2|1,0,1]=4 856 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,0,0,0,0,2|1,0,1]=4 857 B10R0.96 CC(C)OCN(C)CC(=O)O 269956a_100000746989_100000709892 [0,0,0,0,0,2|1,0,1]=4 858 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,0,0,0,0,2|0,0,2]=4 859 B10R0.98 CC(C)C=NNC(=O)C(=O)N 4a_100000211141_100000210432 [0,0,0,0,0,2|2,0,0]=4 860 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,0,0,0,0,2|0,0,2]=4 861 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,0,0,0,0,2|0,0,2]=4 862 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,0,0,0,0,2|0,0,2]=4