0 B8R0.2 C#CC(C)C(=O)C(=C)C 1458a_100000185857_200000035995 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.2 C#CC(C)C(=O)C(O)O 1458a_100000233687_200000035995 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.2 C#CC(C)C(=O)[C@@H](C)O 1458a_100000717761_200000035995 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.2 C#CC(C)C(=O)[C@H](C)O 1458a_217856618621_200000035995 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.2 C=C(Br)C(=O)N(C)CC 11a_100000225621_100009813364 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.2 C=C(Br)C(=O)N(C)CC 1626a_100000225621_100009813364 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.2 C=C(C)C(=O)C(C)C#N 1458a_100000185857_100000703298 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.2 C=C(Cl)C(=O)N(C)CC 11a_100000225621_100000039160 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.2 C=C(Cl)C(=O)N(C)CC 1626a_100000225621_100000039160 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.2 C=C(F)C(=O)N(C)CC 11a_100000225621_100000036797 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.2 C=C(F)C(=O)N(C)CC 1626a_100000225621_100000036797 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.2 CC(C#N)C(=O)C(O)O 1458a_100000233687_100000703298 [0,0,0,0,0,0|1,0,3]=4 17 B8R0.2 CC(C#N)C(=O)[C@@H](C)O 1458a_100000717761_100000703298 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.2 CC(C#N)C(=O)[C@H](C)O 1458a_217856618621_100000703298 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_100000209910_200025704644 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_200025704644_100000209910 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,0,0,0,0,0|2,0,1]=3 25 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,0,0,0,0,0|0,0,2]=2 28 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [0,0,0,0,0,0|3,0,0]=3 29 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,0,0,0,0,0|1,0,1]=2 33 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,0,0,0,0,0|1,0,1]=2 34 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,0,0,0,0,0|2,0,0]=2 41 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.2 CCN(C)C(=O)C(F)F 11a_100000225621_100000210393 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.2 CCN(C)C(=O)C(F)F 1626a_100000225621_100000210393 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.2 CCN(C)C(=O)C(F)F 240690a_100000225621_100000210393 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.2 CCN(C)C(=O)C(F)F 527a_100000225621_100000210393 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.2 CCN(C)C(=O)C(O)O 240690a_100000225621_100000233687 [0,0,0,0,0,0|1,0,2]=3 54 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,0,0,0,0,0|2,0,1]=3 55 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,0,0,0,0,0|2,0,1]=3 57 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,0,0,0,0,0|2,0,1]=3 65 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.2 CNC(C)C(=O)C(C)C 2230a_106832991635_100009893295 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.2 CNC(C)C(=O)C(C)C 7a_106832991635_100009893295 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.2 CNC(C)C(=O)N(C)C 2230a_106832991635_100000209910 [0,0,0,0,0,0|4,0,0]=4 73 B8R0.2 CNC(C)C(=O)N(C)C 7a_106832991635_100000209910 [0,0,0,0,0,0|4,0,0]=4 74 B8R0.2 CN[C@@H](C)C(=O)N(C)C 2230a_100000697320_200000210301 [0,0,0,0,0,0|4,0,0]=4 75 B8R0.2 CN[C@@H](C)C(=O)N(C)C 34a_100000697320_200000210301 [0,0,0,0,0,0|4,0,0]=4 76 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.2 COC(C)C(=O)N(C)C 11a_100102631434_100000743197 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.2 COC(C)C(=O)N(C)C 1626a_100102631434_100000743197 [0,0,0,0,0,0|4,0,0]=4 79 B8R0.2 COC(C)C(=O)N(C)C 240690a_100102631434_100000743197 [0,0,0,0,0,0|4,0,0]=4 80 B8R0.2 COC(C)C(=O)N(C)C 527a_100102631434_100000743197 [0,0,0,0,0,0|4,0,0]=4 81 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.2 CSC(C)C(=O)N(C)C 11a_100102631434_100000149566 [0,0,0,0,0,0|4,0,0]=4 86 B8R0.2 CSC(C)C(=O)N(C)C 1626a_100102631434_100000149566 [0,0,0,0,0,0|4,0,0]=4 87 B8R0.2 CSC(C)C(=O)N(C)C 240690a_100102631434_100000149566 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.2 CSC(C)C(=O)N(C)C 527a_100102631434_100000149566 [0,0,0,0,0,0|4,0,0]=4 89 B8R0.2 CSC(C)C(=O)N(C)C 62a_100000209910_200000210301 [0,0,0,0,0,0|4,0,0]=4 90 B8R0.2 CSC(C)C(=O)N(C)C 62a_200000210301_100000209910 [0,0,0,0,0,0|4,0,0]=4 91 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 2230a_100000697320_200025704644 [0,0,0,0,0,0|4,0,0]=4 93 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 34a_100000697320_200025704644 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,0,0,0,0,0|3,0,0]=4 95 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,0,0,0,0,0|3,0,0]=4 98 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,0,0,0,0,0|3,0,0]=4 100 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,0,0,0,0|1,0,1]=3 105 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,0,0,0,0|1,0,1]=3 106 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,0,0,0,0|1,0,1]=3 107 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,0,0,0,0|1,0,1]=3 108 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,0,0,0,0|1,0,1]=3 109 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,0,0,0,0,0|2,0,0]=3 110 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,0,0,0,0,0|2,0,0]=3 112 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,0,0,0,0,0|2,0,0]=3 113 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,0,0,0,0|1,0,1]=3 121 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,0,0,0,0|1,0,1]=3 122 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,0,0,0,0,0|1,0,2]=4 124 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,0,0,0,0|1,0,1]=3 125 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,0,0,0,0|1,0,1]=3 126 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,0,0,0,0,0|3,0,0]=4 128 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,0,0,0,0,0|3,0,0]=4 129 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,0,0,0,0,0|3,0,0]=4 130 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [1,0,0,0,0,0|3,0,0]=4 131 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,0,0,0,0|2,0,0]=3 132 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,0,0,0,0,0|3,0,0]=4 133 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,0,0,0,0,0|3,0,0]=4 134 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,0,0,0,0|3,0,0]=4 135 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [1,0,0,0,0,0|3,0,0]=4 136 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [1,0,0,0,0,0|3,0,0]=4 137 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,0,0,0,0,0|2,0,0]=3 138 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,0,0,0,0,0|2,0,0]=3 139 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,0,0,0,0,0|0,0,2]=3 146 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 147 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 148 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 149 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 150 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,0,0,0,0|1,0,1]=3 151 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,0,0,0,0|1,0,1]=3 152 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 156 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 157 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 158 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|3,0,0]=4 159 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|1,0,2]=4 160 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|1,0,2]=4 161 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,0,0,0,0,0|2,0,0]=3 163 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,0,0,0,0|2,0,0]=3 164 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,0,0,0,0,0|1,0,2]=4 165 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,0,0,0,0|2,0,1]=4 166 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,0,0,0,0|2,0,1]=4 167 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|2,0,1]=4 168 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,0,0,0,0,0|2,0,0]=3 169 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|2,0,1]=4 170 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [1,0,0,0,0,0|3,0,0]=4 172 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,0,0,0,0,0|2,0,0]=3 173 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,0,0,0,0,0|2,0,0]=3 175 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,0,0,0,0,0|2,0,1]=4 178 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,0,0,0,0,0|1,0,2]=4 180 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,0,0,0,0,0|1,0,2]=4 181 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|2,0,1]=4 182 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,0,0,0,0,0|1,0,1]=3 183 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [1,0,0,0,0,0|1,0,2]=4 184 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [1,0,0,0,0,0|0,0,3]=4 185 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [1,0,0,0,0,0|3,0,0]=4 186 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,0,0,0,0,0|1,0,0]=2 188 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,0,0,0,0,0|2,0,0]=3 189 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,0,0,0,0,0|2,0,0]=3 190 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [1,0,0,0,0,0|1,0,2]=4 191 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [1,0,0,0,0,0|3,0,0]=4 192 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,0,0,0,0,0|1,0,1]=3 193 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,0,0,0,0,0|1,0,1]=3 194 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,0,0,0,0,0|2,0,1]=4 195 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,0,0,0,0,0|2,0,1]=4 196 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,0,0,0,0,0|2,0,1]=4 197 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,0,0,0,0,0|2,0,1]=4 198 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,0,0,0,0,0|2,0,1]=4 199 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,0,0,0,0,0|2,0,1]=4 200 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,0,0,0,0,0|2,0,1]=4 201 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,0,0,0,0,0|2,0,1]=4 202 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,0,0,0,0|2,0,1]=4 203 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,0,0,0,0,0|2,0,1]=4 204 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,0,0,0,0,0|2,0,1]=4 205 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,0,0,0,0,0|1,0,1]=3 208 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,0,0,0,0,0|0,0,1]=2 209 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,0,0,0,0,0|2,0,0]=3 210 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,0,0,0,0,0|2,0,0]=3 211 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,0,0,0,0,0|2,0,0]=3 212 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,0,0,0,0,0|2,0,0]=3 213 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,0,0,0,0,0|2,0,1]=4 214 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,0,0,0,0,0|3,0,0]=4 215 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,0,0,0,0,0|1,0,1]=3 216 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,0,0,0,0,0|1,0,1]=3 217 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,0,0,0,0,0|3,0,0]=4 218 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,0,0,0,0,0|3,0,0]=4 219 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,0,0,0,0,0|3,0,0]=4 220 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,0,0,0,0,0|3,0,0]=4 221 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,0,0,0,0,0|3,0,0]=4 222 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,0,0,0,0,0|3,0,0]=4 223 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,0,0,0,0,0|3,0,0]=4 224 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,0,0,0,0,0|3,0,0]=4 225 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,0,0,0,0,0|3,0,0]=4 226 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,0,0,0,0,0|3,0,0]=4 227 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,0,0,0,0,0|3,0,0]=4 228 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,0,0,0,0,0|3,0,0]=4 229 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,0,0,0,0,0|3,0,0]=4 230 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,0,0,0,0,0|3,0,0]=4 231 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,0,0,0,0,0|3,0,0]=4 232 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,0,0,0,0,0|3,0,0]=4 233 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,0,0,0,0,0|3,0,0]=4 234 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,0,0,0,0,0|3,0,0]=4 235 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,0,0,0,0,0|3,0,0]=4 236 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,0,0,0,0,0|3,0,0]=4 239 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,0,0,0,0,0|3,0,0]=4 240 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,0,0,0,0,0|3,0,0]=4 241 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,0,0,0,0,0|3,0,0]=4 242 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,0,0,0,0,0|3,0,0]=4 244 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,0,0,0,0,0|3,0,0]=4 245 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,0,0,0,0,0|3,0,0]=4 246 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,0,0,0,0,0|3,0,0]=4 247 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,0,0,0,0,0|3,0,0]=4 249 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,0,0,0,0,0|2,0,1]=4 250 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [1,0,0,0,0,0|3,0,0]=4 251 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,0,0,0,0,0|2,0,1]=4 252 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [1,0,0,0,0,0|3,0,0]=4 253 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [1,0,0,0,0,0|3,0,0]=4 254 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [1,0,0,0,0,0|2,0,0]=3 255 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [1,0,0,0,0,0|3,0,0]=4 256 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [1,0,0,0,0,0|3,0,0]=4 257 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [1,0,0,0,0,0|3,0,0]=4 258 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [1,0,0,0,0,0|3,0,0]=4 259 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [1,0,0,0,0,0|3,0,0]=4 260 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [1,0,0,0,0,0|3,0,0]=4 261 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [1,0,0,0,0,0|2,0,0]=3 262 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,0,0,0,0,0|2,0,1]=4 263 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,0,0,0,0,0|3,0,0]=4 264 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,0,0,0,0,0|3,0,0]=4 265 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,0,0,0,0,0|3,0,0]=4 266 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,0,0,0,0,0|3,0,0]=4 267 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,0,0,0,0,0|1,0,2]=4 268 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,0,0,0,0,0|2,0,1]=4 269 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,0,0,0,0,0|2,0,1]=4 270 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [1,0,0,0,0,0|2,0,1]=4 271 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [1,0,0,0,0,0|2,0,1]=4 272 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [1,0,0,0,0,0|0,0,2]=3 273 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [1,0,0,0,0,0|3,0,0]=4 274 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [1,0,0,0,0,0|3,0,0]=4 275 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [1,0,0,0,0,0|3,0,0]=4 276 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [1,0,0,0,0,0|1,0,1]=3 278 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [1,0,0,0,0,0|1,0,1]=3 279 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,0,0,0,0,0|2,0,1]=4 280 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,0,0,0,0,0|1,0,2]=4 281 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [1,0,0,0,0,0|2,0,0]=3 282 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [1,0,0,0,0,0|2,0,0]=3 283 B7R0.16 CN(C)C(=O)C(O)O 240690a_100102631434_100000233687 [1,0,0,0,0,0|1,0,2]=4 284 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [1,0,0,0,0,0|2,0,1]=4 285 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [1,0,0,0,0,0|2,0,1]=4 286 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [1,0,0,0,0,0|2,0,1]=4 287 B9R0.6 C=C(Br)C(=O)N(C)CCC 11a_100000747261_100009813364 [0,1,0,0,0,0|3,0,0]=4 288 B9R0.6 C=C(Br)C(=O)N(C)CCC 1626a_100000747261_100009813364 [0,1,0,0,0,0|3,0,0]=4 289 B9R0.6 C=C(C)C(=O)C(C)CC#N 1458a_100000185857_100009813641 [0,1,0,0,0,0|2,0,1]=4 290 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,1,0,0,0,0|2,0,0]=3 291 B9R0.6 C=C(C)C(=O)C(C)CCO 1458a_100000185857_100009893172 [0,1,0,0,0,0|2,0,0]=3 292 B9R0.6 C=C(C)C(=O)C(C)COC 1458a_100000185857_100000765312 [0,1,0,0,0,0|2,0,0]=3 293 B9R0.6 C=C(C)C(=O)N(C)CCC 11a_100000747261_100000185857 [0,1,0,0,0,0|3,0,0]=4 294 B9R0.6 C=C(C)C(=O)N(C)CCC 1626a_100000747261_100000185857 [0,1,0,0,0,0|3,0,0]=4 295 B9R0.6 C=C(Cl)C(=O)N(C)CCC 11a_100000747261_100000039160 [0,1,0,0,0,0|3,0,0]=4 296 B9R0.6 C=C(Cl)C(=O)N(C)CCC 1626a_100000747261_100000039160 [0,1,0,0,0,0|3,0,0]=4 297 B9R0.6 C=C(F)C(=O)N(C)CCC 11a_100000747261_100000036797 [0,1,0,0,0,0|3,0,0]=4 298 B9R0.6 C=C(F)C(=O)N(C)CCC 1626a_100000747261_100000036797 [0,1,0,0,0,0|3,0,0]=4 299 B9R0.6 C=CCN(C)C(=O)C(=O)N 240690a_100000225617_100011215815 [0,1,0,0,0,0|2,0,1]=4 300 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,1,0,0,0,0|3,0,0]=4 301 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,1,0,0,0,0|3,0,0]=4 302 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,1,0,0,0,0|2,0,1]=4 303 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,1,0,0,0,0|2,0,1]=4 304 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,1,0,0,0,0|2,0,1]=4 305 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,1,0,0,0,0|2,0,1]=4 306 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,1,0,0,0,0|2,0,1]=4 307 B9R0.6 CC(CC#N)C(=O)C(O)O 1458a_100000233687_100009813641 [0,1,0,0,0,0|0,0,3]=4 308 B9R0.6 CC(CC#N)C(=O)[C@@H](C)O 1458a_100000717761_100009813641 [0,1,0,0,0,0|1,0,2]=4 309 B9R0.6 CC(CC#N)C(=O)[C@H](C)O 1458a_217856618621_100009813641 [0,1,0,0,0,0|1,0,2]=4 310 B9R0.6 CC(CCO)C(=O)C(O)O 1458a_100000233687_100009893172 [0,1,0,0,0,0|0,0,2]=3 311 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,1,0,0,0,0|1,0,1]=3 312 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,1,0,0,0,0|1,0,1]=3 313 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [0,1,0,0,0,0|2,0,1]=4 314 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [0,1,0,0,0,0|2,0,1]=4 315 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [0,1,0,0,0,0|2,0,1]=4 316 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [0,1,0,0,0,0|2,0,1]=4 317 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,1,0,0,0,0|0,0,2]=3 318 B9R0.6 CCCC(C)C(=O)N(C)C 11a_100102631434_100000210906 [0,1,0,0,0,0|3,0,0]=4 319 B9R0.6 CCCC(C)C(=O)N(C)C 1626a_100102631434_100000210906 [0,1,0,0,0,0|3,0,0]=4 320 B9R0.6 CCCC(C)C(=O)N(C)C 240690a_100102631434_100000210906 [0,1,0,0,0,0|3,0,0]=4 321 B9R0.6 CCCC(C)C(=O)N(C)C 527a_100102631434_100000210906 [0,1,0,0,0,0|3,0,0]=4 322 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,1,0,0,0,0|1,0,1]=3 323 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,1,0,0,0,0|1,0,1]=3 324 B9R0.6 CCCN(C)C(=O)C(=O)N 240690a_100000747261_100011215815 [0,1,0,0,0,0|2,0,0]=3 325 B9R0.6 CCCN(C)C(=O)C(O)O 240690a_100000747261_100000233687 [0,1,0,0,0,0|1,0,2]=4 326 B9R0.6 CCCN(C)C(=O)[C@@H](C)O 240690a_100000747261_100000717761 [0,1,0,0,0,0|2,0,1]=4 327 B9R0.6 CCCN(C)C(=O)[C@H](C)O 1626a_100000747261_217856618621 [0,1,0,0,0,0|2,0,1]=4 328 B9R0.6 CCCN(C)C(=O)[C@H](C)O 240690a_100000747261_217856618621 [0,1,0,0,0,0|2,0,1]=4 329 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,0,0,0,0|2,0,1]=4 330 B9R0.6 CCNC(C)C(=O)C(C)C 2230a_100015525214_100009893295 [0,1,0,0,0,0|2,0,1]=4 331 B9R0.6 CCNC(C)C(=O)N(C)C 2230a_100015525214_100000209910 [0,1,0,0,0,0|3,0,0]=4 332 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210202 [0,1,0,0,0,0|3,0,0]=4 333 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210202 [0,1,0,0,0,0|3,0,0]=4 334 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [0,1,0,0,0,0|2,0,1]=4 335 B9R0.6 CCOC(C)C(=O)N(C)C 11a_100102631434_100000739345 [0,1,0,0,0,0|3,0,0]=4 336 B9R0.6 CCOC(C)C(=O)N(C)C 1626a_100102631434_100000739345 [0,1,0,0,0,0|3,0,0]=4 337 B9R0.6 CCOC(C)C(=O)N(C)C 240690a_100102631434_100000739345 [0,1,0,0,0,0|3,0,0]=4 338 B9R0.6 CCOC(C)C(=O)N(C)C 527a_100102631434_100000739345 [0,1,0,0,0,0|3,0,0]=4 339 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,1,0,0,0,0|2,0,1]=4 340 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [0,1,0,0,0,0|2,0,1]=4 341 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [0,1,0,0,0,0|2,0,1]=4 342 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [0,1,0,0,0,0|2,0,1]=4 343 B9R0.6 CCSC(C)C(=O)N(C)C 11a_100102631434_100000230601 [0,1,0,0,0,0|3,0,0]=4 344 B9R0.6 CCSC(C)C(=O)N(C)C 1626a_100102631434_100000230601 [0,1,0,0,0,0|3,0,0]=4 345 B9R0.6 CCSC(C)C(=O)N(C)C 240690a_100102631434_100000230601 [0,1,0,0,0,0|3,0,0]=4 346 B9R0.6 CCSC(C)C(=O)N(C)C 527a_100102631434_100000230601 [0,1,0,0,0,0|3,0,0]=4 347 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000209910_100000210202 [0,1,0,0,0,0|3,0,0]=4 348 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000210202_100000209910 [0,1,0,0,0,0|3,0,0]=4 349 B9R0.6 CN(CCO)C(=O)C(=O)N 240690a_100000210263_100011215815 [0,1,0,0,0,0|2,0,0]=3 350 B9R0.6 CN(CCO)C(=O)C(O)O 240690a_100000210263_100000233687 [0,1,0,0,0,0|1,0,2]=4 351 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [0,1,0,0,0,0|2,0,1]=4 352 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [0,1,0,0,0,0|2,0,1]=4 353 B9R0.6 COCC(C)C(=O)C(C)F 1458a_100000062450_100000765312 [0,1,0,0,0,0|2,0,1]=4 354 B9R0.6 COCC(C)C(=O)C(O)O 1458a_100000233687_100000765312 [0,1,0,0,0,0|0,0,2]=3 355 B9R0.6 COCC(C)C(=O)N(C)C 11a_100102631434_100000751857 [0,1,0,0,0,0|3,0,0]=4 356 B9R0.6 COCC(C)C(=O)N(C)C 1626a_100102631434_100000751857 [0,1,0,0,0,0|3,0,0]=4 357 B9R0.6 COCC(C)C(=O)N(C)C 240690a_100102631434_100000751857 [0,1,0,0,0,0|3,0,0]=4 358 B9R0.6 COCC(C)C(=O)N(C)C 527a_100102631434_100000751857 [0,1,0,0,0,0|3,0,0]=4 359 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,1,0,0,0,0|1,0,1]=3 360 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,1,0,0,0,0|1,0,1]=3 361 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,1,0,0,0,0|2,0,1]=4 362 B9R0.6 CSCC(C)C(=O)C(C)C 1458a_100000753918_100000210206 [0,1,0,0,0,0|2,0,1]=4 363 B9R0.6 CSCC(C)C(=O)N(C)C 11a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 364 B9R0.6 CSCC(C)C(=O)N(C)C 1626a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 365 B9R0.6 CSCC(C)C(=O)N(C)C 240690a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 366 B9R0.6 CSCC(C)C(=O)N(C)C 527a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 367 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,1,0,0,0,0|2,0,1]=4 368 B9R0.6 C[C@@H](O)C(=O)N(C)CCO 240690a_100000210263_100000717761 [0,1,0,0,0,0|2,0,1]=4 369 B9R0.6 C[C@H](O)C(=O)N(C)CCO 240690a_100000210263_217856618621 [0,1,0,0,0,0|2,0,1]=4 370 B9R0.25 CCC(C)C(=O)C(C)(C)C 1458a_106744555173_100000758301 [0,1,0,0,0,0|2,0,1]=4 371 B9R0.25 CCC(C)C(=O)C(C)(C)F 1458a_100000765255_100000758301 [0,1,0,0,0,0|2,0,1]=4 372 B9R0.25 CCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000758301 [0,1,0,0,0,0|1,0,1]=3 373 B9R0.25 CCC(C)C(=O)C(F)(F)F 1458a_100011192722_200000243211 [0,1,0,0,0,0|2,0,1]=4 374 B9R0.25 CCC(C)C(=O)C(F)(F)F 1458a_100015355933_100000758301 [0,1,0,0,0,0|2,0,1]=4 375 B9R0.25 CCN(C)C(=O)C(C)(C)O 240690a_100000225621_100000242741 [0,1,0,0,0,0|2,0,1]=4 376 B9R0.27 C#CC(C)C(=O)C(=O)NC 1458a_100011218921_200000035995 [0,1,0,0,0,0|1,0,2]=4 377 B9R0.27 C#CC(C)C(=O)C(C)CC 1458a_100011192722_200000035995 [0,1,0,0,0,0|2,0,1]=4 378 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [0,1,0,0,0,0|2,0,0]=3 379 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 11a_100000225621_100020587367 [0,1,0,0,0,0|3,0,0]=4 380 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 1626a_100000225621_100020587367 [0,1,0,0,0,0|3,0,0]=4 381 B9R0.27 C=CC(=O)N(C)C(C)CC 1626a_100000741768_100000185746 [0,1,0,0,0,0|3,0,0]=4 382 B9R0.27 C=CC(=O)N(C)C(C)CC 240690a_100000741768_200121576911 [0,1,0,0,0,0|3,0,0]=4 383 B9R0.27 C=CC(C)C(=O)C(C)CC 1458a_100011216780_100000758301 [0,1,0,0,0,0|2,0,1]=4 384 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [0,1,0,0,0,0|3,0,0]=4 385 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [0,1,0,0,0,0|3,0,0]=4 386 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 387 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 388 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 389 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 390 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,1,0,0,0,0|1,0,0]=2 391 B9R0.27 CCC(C)C(=O)C(C)C#N 1458a_100000753662_100000758301 [0,1,0,0,0,0|2,0,1]=4 392 B9R0.27 CCC(C)C(=O)C(C)C#N 1458a_100011192722_100000703298 [0,1,0,0,0,0|2,0,1]=4 393 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [0,1,0,0,0,0|2,0,1]=4 394 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [0,1,0,0,0,0|1,0,1]=3 395 B9R0.27 CCC(C)C(=O)C(C)SC 1458a_100000149566_100000758301 [0,1,0,0,0,0|1,1,1]=4 396 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,1,0,0,0,0|1,0,1]=3 397 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,1,0,0,0,0|0,0,2]=3 398 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [0,1,0,0,0,0|3,0,0]=4 399 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [0,1,0,0,0,0|3,0,0]=4 400 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [0,1,0,0,0,0|3,0,0]=4 401 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [0,1,0,0,0,0|3,0,0]=4 402 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,1,0,0,0,0|2,0,0]=3 403 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,1,0,0,0,0|2,0,0]=3 404 B9R0.27 CCC(C)N(C)C(=O)NC 2708a_100102657272_100000741768 [0,1,0,0,0,0|3,0,0]=4 405 B9R0.27 CCC(C)N(C)C(=O)NC 273464a_100102657272_100000741768 [0,1,0,0,0,0|3,0,0]=4 406 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [0,1,0,0,0,0|2,0,1]=4 407 B9R0.27 CCN(C)C(=O)C(=O)NC 1626a_100000225621_100011218921 [0,1,0,0,0,0|2,0,0]=3 408 B9R0.27 CCN(C)C(=O)C(=O)NC 240690a_100000225621_100011218921 [0,1,0,0,0,0|2,0,0]=3 409 B9R0.27 CCN(C)C(=O)C(=O)NC 527a_100000225621_100011218921 [0,1,0,0,0,0|2,0,0]=3 410 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,1,0,0,0,0|1,0,0]=2 411 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,1,0,0,0,0|1,0,0]=2 412 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,1,0,0,0,0|1,0,0]=2 413 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,1,0,0,0,0|1,0,0]=2 414 B9R0.27 CCN(C)C(=O)C(C)OC 11a_100000225621_100000743197 [0,1,0,0,0,0|2,0,1]=4 415 B9R0.27 CCN(C)C(=O)C(C)OC 1626a_100000225621_100000743197 [0,1,0,0,0,0|2,0,1]=4 416 B9R0.27 CCN(C)C(=O)C(C)OC 240690a_100000225621_100000743197 [0,1,0,0,0,0|2,0,1]=4 417 B9R0.27 CCN(C)C(=O)C(C)OC 34a_100138415774_200012002205 [0,1,0,0,0,0|2,0,1]=4 418 B9R0.27 CCN(C)C(=O)C(C)OC 527a_100000225621_100000743197 [0,1,0,0,0,0|2,0,1]=4 419 B9R0.27 CCN(C)C(=O)C(O)CO 240690a_100000225621_100011215603 [0,1,0,0,0,0|1,0,2]=4 420 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,1,0,0,0,0|2,0,1]=4 421 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,1,0,0,0,0|2,0,1]=4 422 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,1,0,0,0,0|2,0,1]=4 423 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,1,0,0,0,0|2,0,1]=4 424 B9R0.27 CNC(=O)C(=O)C(C)C#N 1458a_100011218921_100000703298 [0,1,0,0,0,0|2,0,1]=4 425 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,1,0,0,0,0|1,0,0]=2 426 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,1,0,0,0,0|1,0,0]=2 427 B9R0.27 CNC(C)C(=O)N(C)OC 269862a_106832991636_100000090643 [0,1,0,0,0,0|3,0,0]=4 428 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,1,0,0,0,0|1,0,0]=2 429 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,1,0,0,0,0|1,0,0]=2 430 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,1,0,0,0,0|1,0,0]=2 431 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,1,0,0,0,0|1,0,0]=2 432 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,1,0,0,0,0|1,0,0]=2 433 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,1,0,0,0,0|2,0,1]=4 434 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,1,0,0,0,0|2,0,1]=4 435 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [0,1,0,0,0,0|3,0,0]=4 436 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [0,1,0,0,0,0|3,0,0]=4 437 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [0,1,0,0,0,0|3,0,0]=4 438 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [0,1,0,0,0,0|3,0,0]=4 439 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,1,0,0,0,0|1,0,2]=4 440 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,1,0,0,0,0|1,0,1]=3 441 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,1,0,0,0,0|1,0,1]=3 442 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [0,1,0,0,0,0|2,0,1]=4 443 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [0,1,0,0,0,0|2,0,1]=4 444 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,1,0,0,0,0|2,0,1]=4 445 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,1,0,0,0,0|2,0,1]=4 446 B9R0.32 CCC(C)(C)C(=O)C(C)C 1458a_100000749717_100000210206 [0,1,0,0,0,0|2,0,1]=4 447 B9R0.32 CCC(C)(C)C(=O)N(C)C 11a_100102631434_100000749717 [0,1,0,0,0,0|3,0,0]=4 448 B9R0.32 CCC(C)(C)C(=O)N(C)C 1626a_100102631434_100000749717 [0,1,0,0,0,0|3,0,0]=4 449 B9R0.32 CCC(C)(C)C(=O)N(C)C 240690a_100102631434_100000749717 [0,1,0,0,0,0|3,0,0]=4 450 B9R0.32 CCC(C)(C)C(=O)N(C)C 527a_100102631434_100000749717 [0,1,0,0,0,0|3,0,0]=4 451 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [0,1,0,0,0,0|3,0,0]=4 452 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [0,1,0,0,0,0|3,0,0]=4 453 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [0,1,0,0,0,0|3,0,0]=4 454 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [0,1,0,0,0,0|3,0,0]=4 455 B9R0.32 CCC(C)(O)C(=O)C(C)C 1458a_100011219770_100000210206 [0,1,0,0,0,0|2,0,1]=4 456 B9R0.32 CCC(C)(O)C(=O)N(C)C 240690a_100102631434_100011219770 [0,1,0,0,0,0|3,0,0]=4 457 B9R0.41 C=C(Br)C(=O)N(CC)CC 11a_100000724800_100009813364 [0,1,0,0,0,0|3,0,0]=4 458 B9R0.41 C=C(Br)C(=O)N(CC)CC 1626a_100000724800_100009813364 [0,1,0,0,0,0|3,0,0]=4 459 B9R0.41 C=C(C)C(=O)C(CC)CC 1458a_100000185857_100000210505 [0,1,0,0,0,0|2,0,0]=3 460 B9R0.41 C=C(C)C(=O)N(CC)CC 11a_100000724800_100000185857 [0,1,0,0,0,0|3,0,0]=4 461 B9R0.41 C=C(C)C(=O)N(CC)CC 1626a_100000724800_100000185857 [0,1,0,0,0,0|3,0,0]=4 462 B9R0.41 C=C(Cl)C(=O)N(CC)CC 11a_100000724800_100000039160 [0,1,0,0,0,0|3,0,0]=4 463 B9R0.41 C=C(Cl)C(=O)N(CC)CC 1626a_100000724800_100000039160 [0,1,0,0,0,0|3,0,0]=4 464 B9R0.41 C=C(F)C(=O)N(CC)CC 11a_100000724800_100000036797 [0,1,0,0,0,0|3,0,0]=4 465 B9R0.41 C=C(F)C(=O)N(CC)CC 1626a_100000724800_100000036797 [0,1,0,0,0,0|3,0,0]=4 466 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000210198_100000210505 [0,1,0,0,0,0|2,0,1]=4 467 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000211163_100000210206 [0,1,0,0,0,0|2,0,1]=4 468 B9R0.41 CCC(CC)C(=O)C(C)F 1458a_100000062450_100000210505 [0,1,0,0,0,0|2,0,1]=4 469 B9R0.41 CCC(CC)C(=O)C(O)O 1458a_100000233687_100000210505 [0,1,0,0,0,0|0,0,2]=3 470 B9R0.41 CCC(CC)C(=O)N(C)C 11a_100102631434_100000211163 [0,1,0,0,0,0|3,0,0]=4 471 B9R0.41 CCC(CC)C(=O)N(C)C 1626a_100102631434_100000211163 [0,1,0,0,0,0|3,0,0]=4 472 B9R0.41 CCC(CC)C(=O)N(C)C 240690a_100102631434_100000211163 [0,1,0,0,0,0|3,0,0]=4 473 B9R0.41 CCC(CC)C(=O)N(C)C 527a_100102631434_100000211163 [0,1,0,0,0,0|3,0,0]=4 474 B9R0.41 CCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100000210505 [0,1,0,0,0,0|1,0,1]=3 475 B9R0.41 CCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100000210505 [0,1,0,0,0,0|1,0,1]=3 476 B9R0.41 CCC(CC)N(C)C(=O)C 11a_100000737045_100015343762 [0,1,0,0,0,0|3,0,0]=4 477 B9R0.41 CCC(CC)N(C)C(=O)C 1626a_100000737045_100015343762 [0,1,0,0,0,0|3,0,0]=4 478 B9R0.41 CCC(CC)N(C)C(=O)C 240690a_100000737045_100015343762 [0,1,0,0,0,0|3,0,0]=4 479 B9R0.41 CCC(CC)N(C)C(=O)C 527a_100000737045_100103153847 [0,1,0,0,0,0|3,0,0]=4 480 B9R0.41 CCC(NC)C(=O)N(C)C 2230a_106832991635_100011763435 [0,1,0,0,0,0|3,0,0]=4 481 B9R0.41 CCC(NC)C(=O)N(C)C 34a_100102657272_100011763435 [0,1,0,0,0,0|3,0,0]=4 482 B9R0.41 CCC(NC)C(=O)N(C)C 7a_106832991635_100011763435 [0,1,0,0,0,0|3,0,0]=4 483 B9R0.41 CCC(OC)C(=O)C(C)C 1458a_100000747056_100000210206 [0,1,0,0,0,0|2,0,1]=4 484 B9R0.41 CCC(OC)C(=O)N(C)C 11a_100102631434_100000747056 [0,1,0,0,0,0|3,0,0]=4 485 B9R0.41 CCC(OC)C(=O)N(C)C 1626a_100102631434_100000747056 [0,1,0,0,0,0|3,0,0]=4 486 B9R0.41 CCC(OC)C(=O)N(C)C 240690a_100102631434_100000747056 [0,1,0,0,0,0|3,0,0]=4 487 B9R0.41 CCC(OC)C(=O)N(C)C 34a_100138415774_100011763435 [0,1,0,0,0,0|3,0,0]=4 488 B9R0.41 CCC(OC)C(=O)N(C)C 527a_100102631434_100000747056 [0,1,0,0,0,0|3,0,0]=4 489 B9R0.41 CCC(SC)C(=O)N(C)C 62a_100011763435_200000210301 [0,1,0,0,0,0|3,0,0]=4 490 B9R0.41 CCC(SC)C(=O)N(C)C 62a_200000210301_100011763435 [0,1,0,0,0,0|3,0,0]=4 491 B9R0.41 CCC(S[13CH3])C(=O)N(C)C 62a_100011763435_200025704644 [0,1,0,0,0,0|3,0,0]=4 492 B9R0.41 CCC(S[13CH3])C(=O)N(C)C 62a_200025704644_100011763435 [0,1,0,0,0,0|3,0,0]=4 493 B9R0.41 CCN(CC)C(=O)C(=O)C 1458a_200000187824_200000210301 [0,1,0,0,0,0|2,0,0]=3 494 B9R0.41 CCN(CC)C(=O)C(=O)N 240690a_100000724800_100011215815 [0,1,0,0,0,0|2,0,0]=3 495 B9R0.41 CCN(CC)C(=O)C(=O)[13CH3] 1458a_200000187824_200025704644 [0,1,0,0,0,0|2,0,0]=3 496 B9R0.41 CCN(CC)C(=O)C(O)O 240690a_100000724800_100000233687 [0,1,0,0,0,0|1,0,2]=4 497 B9R0.41 CCN(CC)C(=O)[C@@H](C)O 240690a_100000724800_100000717761 [0,1,0,0,0,0|2,0,1]=4 498 B9R0.41 CCN(CC)C(=O)[C@H](C)O 1626a_100000724800_217856618621 [0,1,0,0,0,0|2,0,1]=4 499 B9R0.41 CCN(CC)C(=O)[C@H](C)O 240690a_100000724800_217856618621 [0,1,0,0,0,0|2,0,1]=4 500 B9R0.41 CC[C@@H](NC)C(=O)N(C)C 2230a_100102699731_200000210301 [0,1,0,0,0,0|3,0,0]=4 501 B9R0.41 CC[C@@H](NC)C(=O)N(C)C 34a_100102699731_200000210301 [0,1,0,0,0,0|3,0,0]=4 502 B9R0.41 CC[C@@H](N[13CH3])C(=O)N(C)C 2230a_100102699731_200025704644 [0,1,0,0,0,0|3,0,0]=4 503 B9R0.41 CC[C@@H](N[13CH3])C(=O)N(C)C 34a_100102699731_200025704644 [0,1,0,0,0,0|3,0,0]=4 504 B9R0.79 C=C(Br)C(=O)N(C)C(C)C 11a_200000211004_100009813364 [0,1,0,0,0,0|3,0,0]=4 505 B9R0.79 C=C(Br)C(=O)N(C)C(C)C 1626a_200000211004_100009813364 [0,1,0,0,0,0|3,0,0]=4 506 B9R0.79 C=C(C)C(=O)C(C)C(=O)C 1458a_100000185857_100000179758 [0,1,0,0,0,0|2,0,1]=4 507 B9R0.79 C=C(C)C(=O)N(C)C(C)C 11a_200000211004_100000185857 [0,1,0,0,0,0|3,0,0]=4 508 B9R0.79 C=C(C)C(=O)N(C)C(C)C 1626a_200000211004_100000185857 [0,1,0,0,0,0|3,0,0]=4 509 B9R0.79 C=C(Cl)C(=O)N(C)C(C)C 11a_200000211004_100000039160 [0,1,0,0,0,0|3,0,0]=4 510 B9R0.79 C=C(Cl)C(=O)N(C)C(C)C 1626a_200000211004_100000039160 [0,1,0,0,0,0|3,0,0]=4 511 B9R0.79 C=C(F)C(=O)N(C)C(C)C 11a_200000211004_100000036797 [0,1,0,0,0,0|3,0,0]=4 512 B9R0.79 C=C(F)C(=O)N(C)C(C)C 1626a_200000211004_100000036797 [0,1,0,0,0,0|3,0,0]=4 513 B9R0.79 CC(=O)C(C)C(=O)C(O)O 1458a_100000233687_100000179758 [0,1,0,0,0,0|0,0,3]=4 514 B9R0.79 CC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000179758 [0,1,0,0,0,0|1,0,2]=4 515 B9R0.79 CC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000179758 [0,1,0,0,0,0|1,0,2]=4 516 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 517 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 518 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,1,0,0,0,0|3,0,0]=4 519 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,1,0,0,0,0|3,0,0]=4 520 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [0,1,0,0,0,0|2,0,1]=4 521 B9R0.79 CC(C)C(C)C(=O)N(C)C 11a_100102631434_100000755409 [0,1,0,0,0,0|3,0,0]=4 522 B9R0.79 CC(C)C(C)C(=O)N(C)C 1626a_100102631434_100000755409 [0,1,0,0,0,0|3,0,0]=4 523 B9R0.79 CC(C)C(C)C(=O)N(C)C 240690a_100102631434_100000755409 [0,1,0,0,0,0|3,0,0]=4 524 B9R0.79 CC(C)C(C)C(=O)N(C)C 527a_100102631434_100000755409 [0,1,0,0,0,0|3,0,0]=4 525 B9R0.79 CC(C)N(C)C(=O)C(=O)N 240690a_200000211004_100011215815 [0,1,0,0,0,0|2,0,0]=3 526 B9R0.79 CC(C)N(C)C(=O)C(O)O 240690a_200000211004_100000233687 [0,1,0,0,0,0|1,0,2]=4 527 B9R0.79 CC(C)N(C)C(=O)[C@@H](C)O 240690a_200000211004_100000717761 [0,1,0,0,0,0|2,0,1]=4 528 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 1626a_200000211004_217856618621 [0,1,0,0,0,0|2,0,1]=4 529 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 240690a_200000211004_217856618621 [0,1,0,0,0,0|2,0,1]=4 530 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,0|2,0,1]=4 531 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|2,0,1]=4 532 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,0|3,0,0]=4 533 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,0|3,0,0]=4 534 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,0|3,0,0]=4 535 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,0|3,0,0]=4 536 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,0|3,0,0]=4 537 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|2,0,1]=4 538 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,0|2,0,1]=4 539 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,0,0,1,0,0|1,1,1]=4 540 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,0|2,0,1]=4 541 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,0,0,1,0,0|1,1,1]=4 542 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,0,0,1,0,0|2,0,1]=4 543 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [0,0,0,1,0,0|3,0,0]=4 544 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [0,0,0,1,0,0|3,0,0]=4 545 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [0,0,0,1,0,0|3,0,0]=4 546 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,0,1,0,0|2,0,1]=4 547 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [0,0,0,1,0,0|2,0,1]=4 548 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,0,0,1,0,0|1,0,1]=3 549 B9R1.101 CCN(C)C(=O)C1CO1 11a_100000225621_100000701028 [0,0,0,1,0,0|2,0,1]=4 550 B9R1.101 CCN(C)C(=O)C1CO1 1626a_100000225621_100000701028 [0,0,0,1,0,0|2,0,1]=4 551 B9R1.101 CCN(C)C(=O)C1CO1 240690a_100000225621_100000701028 [0,0,0,1,0,0|2,0,1]=4 552 B9R1.101 CCN(C)C(=O)C1CO1 527a_100000225621_100000701028 [0,0,0,1,0,0|2,0,1]=4 553 B9R1.110 C=C(Br)C(=O)N1CCC1 11a_100000754969_100009813364 [0,0,0,1,0,0|3,0,0]=4 554 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,0,0,1,0,0|2,0,0]=3 555 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,0,0,1,0,0|3,0,0]=4 556 B9R1.110 C=C(C)C(=O)N1CCC1 11a_100000754969_100000185857 [0,0,0,1,0,0|3,0,0]=4 557 B9R1.110 C=C(Cl)C(=O)N1CCC1 11a_100000754969_100000039160 [0,0,0,1,0,0|3,0,0]=4 558 B9R1.110 C=C(F)C(=O)N1CCC1 11a_100000754969_100000036797 [0,0,0,1,0,0|3,0,0]=4 559 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,0,0,1,0,0|3,0,0]=4 560 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,0,0,1,0,0|3,0,0]=4 561 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,0,0,1,0,0|3,0,0]=4 562 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,0,0,1,0,0|3,0,0]=4 563 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,0,0,1,0,0|2,0,1]=4 564 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,0,0,1,0,0|2,0,1]=4 565 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,0,0,1,0,0|2,0,1]=4 566 B9R1.110 CN(C)C(=O)C1CCC1 11a_100102631434_100000209988 [0,0,0,1,0,0|3,0,0]=4 567 B9R1.110 CN(C)C(=O)C1CCC1 1626a_100102631434_100000209988 [0,0,0,1,0,0|3,0,0]=4 568 B9R1.110 CN(C)C(=O)C1CCC1 240690a_100102631434_100000209988 [0,0,0,1,0,0|3,0,0]=4 569 B9R1.110 CN(C)C(=O)C1CCC1 527a_100102631434_100000209988 [0,0,0,1,0,0|3,0,0]=4 570 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,0,0,1,0,0|1,0,1]=3 571 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,0,0,1,0,0|2,0,1]=4 572 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [0,0,0,1,0,0|2,0,1]=4 573 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,0,0,1,0,0|1,0,1]=3 574 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,0,0,1,0,0|2,0,1]=4 575 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [0,0,0,1,0,0|2,0,1]=4 576 B9R1.110 NC(=O)C(=O)N1CCC1 240690a_100000754969_100011215815 [0,0,0,1,0,0|2,0,0]=3 577 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,0,0,1,0,0|0,0,2]=3 578 B9R1.110 O=C(C(O)O)C1COC1 1458a_100000233687_100000687716 [0,0,0,1,0,0|1,0,2]=4 579 B9R1.110 O=C(C(O)O)N1CCC1 240690a_100000754969_100000233687 [0,0,0,1,0,0|1,0,2]=4 580 B9R1.111 CC(C)C(=O)C1(CC1)C 1458a_100000756474_100000210206 [0,0,0,1,0,0|2,0,1]=4 581 B9R1.111 CN(C)C(=O)C1(CC1)C 11a_100102631434_100000756474 [0,0,0,1,0,0|3,0,0]=4 582 B9R1.111 CN(C)C(=O)C1(CC1)C 1626a_100102631434_100000756474 [0,0,0,1,0,0|3,0,0]=4 583 B9R1.111 CN(C)C(=O)C1(CC1)C 240690a_100102631434_100000756474 [0,0,0,1,0,0|3,0,0]=4 584 B9R1.111 CN(C)C(=O)C1(CC1)C 527a_100102631434_100000756474 [0,0,0,1,0,0|3,0,0]=4 585 B9R0.23 C#CC(C)C(=O)CC(=O)N 1458a_100134613110_200000035995 [0,0,0,0,0,1|1,0,2]=4 586 B9R0.23 C/C=C(\C)/C(=O)CC(=O)N 1458a_100020587367_100000187820 [0,0,0,0,0,1|1,0,2]=4 587 B9R0.23 C/C=C(\C)/C(=O)CC(=O)[O-] 1458a_100020587367_100020667443 [0,0,0,0,0,1|0,0,3]=4 588 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,0,0,0,0,1|2,0,0]=3 589 B9R0.23 C=C(C)CC(=O)C(C)OC 1458a_100000743197_100000748629 [0,0,0,0,0,1|3,0,0]=4 590 B9R0.23 C=C(C)CC(=O)C(C)SC 1458a_100000149566_100000748629 [0,0,0,0,0,1|3,0,0]=4 591 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,0,0,0,0,1|3,0,0]=4 592 B9R0.23 C=C(F)CC(=O)C(C)CC 1458a_100011192722_100009893438 [0,0,0,0,0,1|2,0,0]=3 593 B9R0.23 C=C(F)CC(=O)C(C)OC 1458a_100000743197_100009893438 [0,0,0,0,0,1|3,0,0]=4 594 B9R0.23 C=C(F)CC(=O)C(C)SC 1458a_100000149566_100009893438 [0,0,0,0,0,1|3,0,0]=4 595 B9R0.23 C=C(F)CC(=O)C(O)CC 1458a_100011196387_100009893438 [0,0,0,0,0,1|3,0,0]=4 596 B9R0.23 C=CC(C)C(=O)CC(=O)N 1458a_100011216780_100000187820 [0,0,0,0,0,1|1,0,2]=4 597 B9R0.23 C=CC(C)C(=O)CC(=O)[O-] 1458a_100011216780_100020667443 [0,0,0,0,0,1|0,0,3]=4 598 B9R0.23 CC(C#N)C(=O)CC(=O)N 1458a_100000753662_100000187820 [0,0,0,0,0,1|2,0,1]=4 599 B9R0.23 CC(C#N)C(=O)CC(=O)N 1458a_100134613110_100000703298 [0,0,0,0,0,1|2,0,1]=4 600 B9R0.23 CC(C#N)C(=O)CC(=O)[O-] 1458a_100000753662_100020667443 [0,0,0,0,0,1|1,0,2]=4 601 B9R0.23 CC(S[13CH3])C(=O)NC(=O)N 62a_100000183865_200025704644 [0,0,0,0,0,1|2,0,0]=3 602 B9R0.23 CC(S[13CH3])C(=O)NC(=O)N 62a_200025704644_100000183865 [0,0,0,0,0,1|2,0,0]=3 603 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,0,0,0,0,1|2,0,0]=3 604 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,0,0,0,0,1|2,0,0]=3 605 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,0,0,0,0,1|2,0,0]=3 606 B9R0.23 CCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000758301 [0,0,0,0,0,1|2,0,0]=3 607 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,0,0,0,0,1|1,0,0]=2 608 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,0,0,0,0,1|1,0,0]=2 609 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,0,0,0,0,1|0,0,1]=2 610 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,0,0,0,0,1|2,0,1]=4 611 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,0,0,0,0,1|2,0,1]=4 612 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,0,0,0,0,1|1,0,1]=3 613 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [0,0,0,0,0,1|2,0,1]=4 614 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [0,0,0,0,0,1|3,0,0]=4 615 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,0,0,0,0,1|1,0,1]=3 616 B9R0.23 CCC(C)C(=O)C[N+](=O)[O-] 1458a_100011192722_100000761209 [0,0,0,0,0,1|1,0,1]=3 617 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [0,0,0,0,0,1|3,0,0]=4 618 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [0,0,0,0,0,1|2,0,1]=4 619 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [0,0,0,0,0,1|2,0,1]=4 620 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [0,0,0,0,0,1|2,0,1]=4 621 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [0,0,0,0,0,1|2,0,1]=4 622 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000739694_100000758301 [0,0,0,0,0,1|3,0,0]=4 623 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000741768_100000747473 [0,0,0,0,0,1|3,0,0]=4 624 B9R0.23 CCC(C)N(C)CC(=O)N 269982a_100000741768_100000187820 [0,0,0,0,0,1|3,0,0]=4 625 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,0,0,0,0,1|2,0,0]=3 626 B9R0.23 CCC(C)N(C)CC(=O)[O-] 269982a_100000741768_100020667443 [0,0,0,0,0,1|2,0,1]=4 627 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [0,0,0,0,0,1|2,0,0]=3 628 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [0,0,0,0,0,1|1,0,1]=3 629 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,0,0,0,0,1|2,0,1]=4 630 B9R0.23 CCC(O)C(=O)C[N+](=O)[O-] 1458a_100011196387_100000761209 [0,0,0,0,0,1|2,0,1]=4 631 B9R0.23 CCN(C)C(=O)C=C(C)C 11a_100000225621_100000211388 [0,0,0,0,0,1|3,0,0]=4 632 B9R0.23 CCN(C)C(=O)C=C(C)C 1626a_100000225621_100000211388 [0,0,0,0,0,1|3,0,0]=4 633 B9R0.23 CCN(C)C(=O)C=C(C)C 240690a_100000225621_100000211388 [0,0,0,0,0,1|3,0,0]=4 634 B9R0.23 CCN(C)C(=O)C=C(C)Cl 11a_100000225621_200042562850 [0,0,0,0,0,1|3,0,0]=4 635 B9R0.23 CCN(C)C(=O)C=C(C)Cl 1626a_100000225621_200042562850 [0,0,0,0,0,1|3,0,0]=4 636 B9R0.23 CCN(C)C(=O)C=C(C)Cl 240690a_100000225621_200042562850 [0,0,0,0,0,1|3,0,0]=4 637 B9R0.23 CCN(C)C(=O)C=C(C)I 11a_100000225621_100025716642 [0,0,0,0,0,1|3,0,0]=4 638 B9R0.23 CCN(C)C(=O)C=C(C)I 1626a_100000225621_100025716642 [0,0,0,0,0,1|3,0,0]=4 639 B9R0.23 CCN(C)C(=O)C=C(Cl)Cl 1626a_100000225621_100000137448 [0,0,0,0,0,1|3,0,0]=4 640 B9R0.23 CCN(C)C(=O)C=C(Cl)Cl 240690a_100000225621_100000137448 [0,0,0,0,0,1|3,0,0]=4 641 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,0,0,0,0,1|2,0,0]=3 642 B9R0.23 CCN(C)C(=O)CC(=O)N 240690a_100000225621_100134613110 [0,0,0,0,0,1|2,0,0]=3 643 B9R0.23 CCN(C)C(=O)CC(=O)N 527a_100000225621_100134613110 [0,0,0,0,0,1|2,0,0]=3 644 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [0,0,0,0,0,1|2,0,1]=4 645 B9R0.23 CNC(C)C(=O)NC(=O)N 2230a_106832991635_100000183865 [0,0,0,0,0,1|2,0,0]=3 646 B9R0.23 CNC(C)C(=O)NC(=O)N 7a_106832991635_100000183865 [0,0,0,0,0,1|2,0,0]=3 647 B9R0.23 COC(C)C(=O)CC(=O)N 1458a_100000743197_100000187820 [0,0,0,0,0,1|2,0,0]=3 648 B9R0.23 COC(C)C(=O)CC(=O)[O-] 1458a_100000743197_100020667443 [0,0,0,0,0,1|1,0,1]=3 649 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [0,0,0,0,0,1|2,0,1]=4 650 B9R0.23 COC(C)C(=O)C[N+](=O)[O-] 1458a_100000743197_100000761209 [0,0,0,0,0,1|2,0,1]=4 651 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,0,0,0,0,1|3,0,0]=4 652 B9R0.23 CON(C)C(=O)CC(=O)C 1458a_100000070787_100000764215 [0,0,0,0,0,1|3,0,0]=4 653 B9R0.23 CSC(C)C(=O)CC(=O)N 1458a_100000149566_100000187820 [0,0,0,0,0,1|2,0,0]=3 654 B9R0.23 CSC(C)C(=O)CC(=O)[O-] 1458a_100000149566_100020667443 [0,0,0,0,0,1|1,0,1]=3 655 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [0,0,0,0,0,1|2,0,1]=4 656 B9R0.23 CSC(C)C(=O)C[N+](=O)[O-] 1458a_100000149566_100000761209 [0,0,0,0,0,1|2,0,1]=4 657 B9R0.23 CSC(C)C(=O)NC(=O)N 62a_100000183865_200000210301 [0,0,0,0,0,1|2,0,0]=3 658 B9R0.23 CSC(C)C(=O)NC(=O)N 62a_200000210301_100000183865 [0,0,0,0,0,1|2,0,0]=3 659 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,0,0,0,0,1|3,0,0]=4 660 B9R0.23 NC(=O)CC(=O)C(O)CO 1458a_100011215603_100000187820 [0,0,0,0,0,1|3,0,0]=4 661 B9R0.23 O=C([O-])CC(=O)C(O)CO 1458a_100011215603_100020667443 [0,0,0,0,0,1|2,0,1]=4 662 B9R0.42 C#CC(C)NC(=O)C(=O)N 240690a_100000707721_100011215815 [0,0,0,0,0,1|1,0,2]=4 663 B9R0.42 C=C(Br)C(=O)NC(C)CC 11a_100000209981_100009813364 [0,0,0,0,0,1|2,0,0]=3 664 B9R0.42 C=C(Br)C(=O)NC(C)CC 1626a_100000209981_100009813364 [0,0,0,0,0,1|2,0,0]=3 665 B9R0.42 C=C(Br)C(=O)N[C@H](C)CF 11a_100102880703_100009813364 [0,0,0,0,0,1|3,0,0]=4 666 B9R0.42 C=C(Br)C(=O)N[C@H](C)CF 1626a_100102880703_100009813364 [0,0,0,0,0,1|3,0,0]=4 667 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,0,0,0,0,1|2,0,0]=3 668 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,0,0,0,0,1|3,0,0]=4 669 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,0,0,0,0,1|2,0,0]=3 670 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,0,0,0,0,1|3,0,0]=4 671 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,0,0,0,0,1|2,0,0]=3 672 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,0,0,0,0,1|2,0,0]=3 673 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 11a_100102880703_100000185857 [0,0,0,0,0,1|3,0,0]=4 674 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000185857 [0,0,0,0,0,1|3,0,0]=4 675 B9R0.42 C=C(Cl)C(=O)NC(C)CC 11a_100000209981_100000039160 [0,0,0,0,0,1|2,0,0]=3 676 B9R0.42 C=C(Cl)C(=O)NC(C)CC 1626a_100000209981_100000039160 [0,0,0,0,0,1|2,0,0]=3 677 B9R0.42 C=C(Cl)C(=O)N[C@H](C)CF 11a_100102880703_100000039160 [0,0,0,0,0,1|3,0,0]=4 678 B9R0.42 C=C(Cl)C(=O)N[C@H](C)CF 1626a_100102880703_100000039160 [0,0,0,0,0,1|3,0,0]=4 679 B9R0.42 C=C(F)C(=O)NC(C)CC 11a_100000209981_100000036797 [0,0,0,0,0,1|2,0,0]=3 680 B9R0.42 C=C(F)C(=O)NC(C)CC 1626a_100000209981_100000036797 [0,0,0,0,0,1|2,0,0]=3 681 B9R0.42 C=C(F)C(=O)N[C@H](C)CF 11a_100102880703_100000036797 [0,0,0,0,0,1|3,0,0]=4 682 B9R0.42 C=C(F)C(=O)N[C@H](C)CF 1626a_100102880703_100000036797 [0,0,0,0,0,1|3,0,0]=4 683 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,0,0,0,0,1|2,0,1]=4 684 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,0,0,0,0,1|2,0,1]=4 685 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,0,0,0,0,1|2,0,1]=4 686 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,0,0,0,0,1|2,0,1]=4 687 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,0,0,0,0,1|0,0,2]=3 688 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,0,0,0,0,1|3,0,0]=4 689 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,0,0,0,0,1|3,0,0]=4 690 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,0,0,0,0,1|3,0,0]=4 691 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,0,0,0,0,1|3,0,0]=4 692 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,0,0,0,0,1|1,0,1]=3 693 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,0,0,0,0,1|1,0,1]=3 694 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,0,0,0,0,1|3,0,0]=4 695 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,0,0,0,0,1|3,0,0]=4 696 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,0,0,0,0,1|3,0,0]=4 697 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,0,0,0,0,1|3,0,0]=4 698 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,0,0,0,0,1|1,0,0]=2 699 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,0,0,0,0,1|1,0,0]=2 700 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,0,0,0,0,1|1,0,0]=2 701 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [0,0,0,0,0,1|2,0,1]=4 702 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [0,0,0,0,0,1|2,0,1]=4 703 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [0,0,0,0,0,1|2,0,1]=4 704 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [0,0,0,0,0,1|2,0,1]=4 705 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [0,0,0,0,0,1|2,0,1]=4 706 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [0,0,0,0,0,1|2,0,1]=4 707 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [0,0,0,0,0,1|2,0,1]=4 708 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [0,0,0,0,0,1|2,0,1]=4 709 B9R0.42 CCC(C)NC(=O)C(F)F 11a_100000209981_100000210393 [0,0,0,0,0,1|2,0,1]=4 710 B9R0.42 CCC(C)NC(=O)C(F)F 1626a_100000209981_100000210393 [0,0,0,0,0,1|2,0,1]=4 711 B9R0.42 CCC(C)NC(=O)C(F)F 240690a_100000209981_100000210393 [0,0,0,0,0,1|2,0,1]=4 712 B9R0.42 CCC(C)NC(=O)C(F)F 527a_100000209981_100000210393 [0,0,0,0,0,1|2,0,1]=4 713 B9R0.42 CCC(C)NC(=O)C(O)O 240690a_100000209981_100000233687 [0,0,0,0,0,1|0,0,2]=3 714 B9R0.42 CCC(C)NC(=O)N(C)C 2708a_100000209981_100102631434 [0,0,0,0,0,1|3,0,0]=4 715 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,0,0,0,0,1|1,0,1]=3 716 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,0,0,0,0,1|1,0,1]=3 717 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,0,0,0,0,1|1,0,1]=3 718 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,0,0,0,0,1|2,0,1]=4 719 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,0,0,0,0,1|2,0,1]=4 720 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,0,0,0,0,1|2,0,1]=4 721 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,0,0,0,0,1|1,0,1]=3 722 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,0,0,0,0,1|2,0,1]=4 723 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,0,0,0,0,1|2,0,1]=4 724 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,0,0,0,0,1|2,0,1]=4 725 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,0,0,0,0,1|2,0,1]=4 726 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,0,0,0,0,1|2,0,1]=4 727 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,0,0,0,0,1|2,0,1]=4 728 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,0,0,0,0,1|1,0,2]=4 729 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,0,0,0,0,1|2,0,1]=4 730 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,0,0,0,0,1|2,0,1]=4 731 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,0,0,0,0,1|2,0,1]=4 732 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,0,0,0,0,1|2,0,1]=4 733 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,0,0,0,0,1|2,0,1]=4 734 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,0,0,0,0,1|2,0,1]=4 735 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,0,0,0,0,1|2,0,1]=4 736 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,0,0,0,0,1|2,0,1]=4 737 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,0,0,0,0,1|1,0,2]=4 738 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,0,0,0,0,1|1,0,2]=4 739 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,0,0,0,0,1|1,0,2]=4 740 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,0,0,0,0,1|2,0,1]=4 741 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,0,0,0,0,1|2,0,1]=4 742 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,0,0,0,0,1|2,0,0]=3 743 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,0,0,0,0,1|2,0,1]=4 744 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,0,0,0,0,1|2,0,1]=4 745 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,0,0,0,0,1|0,0,2]=3 746 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,0,0,0,0,1|1,0,1]=3 747 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,0,0,0,0,1|1,0,1]=3 748 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,0,0,0,0,1|2,0,1]=4 749 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [0,0,0,0,0,1|1,0,2]=4 750 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,0,0,0,0,1|2,0,1]=4 751 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,0,0,0,0,1|2,0,1]=4 752 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [0,0,0,0,0,1|2,0,0]=3 753 B9R0.42 C[C@H](CF)NC(=O)C(O)O 240690a_100102880703_100000233687 [0,0,0,0,0,1|1,0,2]=4 754 B9R0.42 C[C@H](CF)NC(=O)[C@@H](C)O 240690a_100102880703_100000717761 [0,0,0,0,0,1|2,0,1]=4 755 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 1626a_100102880703_217856618621 [0,0,0,0,0,1|2,0,1]=4 756 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 240690a_100102880703_217856618621 [0,0,0,0,0,1|2,0,1]=4 757 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,0,0,0,0,1|2,0,0]=3 758 B9R0.42 C[C@H](CO)NC(=O)C(O)O 240690a_100000737577_100000233687 [0,0,0,0,0,1|1,0,2]=4 759 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,0,0,0,0,1|2,0,1]=4 760 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,0,0,0,0,1|2,0,1]=4 761 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,0,0,0,0,1|2,0,1]=4 762 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|1,0,1]=4 763 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [2,0,0,0,0,0|2,0,0]=4 764 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [2,0,0,0,0,0|2,0,0]=4 765 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,0]=3 766 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [2,0,0,0,0,0|2,0,0]=4 767 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|2,0,0]=4 768 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|2,0,0]=4 769 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,1]=4 770 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,1]=4 771 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,1]=4 772 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|0,0,1]=3 773 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|2,0,0]=4 774 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 775 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 776 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 777 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [2,0,0,0,0,0|1,0,1]=4 778 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [2,0,0,0,0,0|1,0,1]=4 779 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|1,0,1]=4 780 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|1,0,1]=4 781 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|1,0,1]=4 782 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|1,0,1]=4 783 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [2,0,0,0,0,0|1,0,1]=4 784 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [2,0,0,0,0,0|1,0,1]=4 785 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|1,0,1]=4 786 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|1,0,1]=4 787 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 788 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 789 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 790 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [2,0,0,0,0,0|2,0,0]=4 791 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|1,0,1]=4 792 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [2,0,0,0,0,0|1,0,1]=4 793 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [2,0,0,0,0,0|1,0,1]=4 794 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 795 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 796 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,1]=4 797 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,1]=4 798 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,1]=4 799 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 800 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 801 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 802 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 803 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,1]=4 804 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [2,0,0,0,0,0|1,0,1]=4 805 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [2,0,0,0,0,0|2,0,0]=4 806 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [2,0,0,0,0,0|2,0,0]=4 807 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [2,0,0,0,0,0|1,0,0]=3 808 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [2,0,0,0,0,0|2,0,0]=4 809 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [2,0,0,0,0,0|2,0,0]=4 810 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [2,0,0,0,0,0|1,0,1]=4 811 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [2,0,0,0,0,0|1,0,1]=4 812 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [2,0,0,0,0,0|1,0,1]=4 813 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [2,0,0,0,0,0|1,0,1]=4 814 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [2,0,0,0,0,0|0,0,1]=3 815 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [2,0,0,0,0,0|2,0,0]=4 816 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [2,0,0,0,0,0|2,0,0]=4 817 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [2,0,0,0,0,0|1,0,1]=4 818 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [2,0,0,0,0,0|1,0,1]=4 819 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [2,0,0,0,0,0|0,0,2]=4 820 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [2,0,0,0,0,0|1,0,1]=4 821 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [2,0,0,0,0,0|1,0,1]=4 822 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|0,0,1]=3 823 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|0,0,1]=3 824 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|0,0,1]=3 825 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|1,0,1]=4 826 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|1,0,1]=4 827 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [2,0,0,0,0,0|1,0,1]=4 828 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [2,0,0,0,0,0|1,0,1]=4 829 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [2,0,0,0,0,0|1,0,1]=4 830 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [2,0,0,0,0,0|1,0,1]=4 831 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [2,0,0,0,0,0|1,0,1]=4 832 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [2,0,0,0,0,0|1,0,1]=4 833 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [2,0,0,0,0,0|2,0,0]=4 834 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [2,0,0,0,0,0|2,0,0]=4 835 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [2,0,0,0,0,0|2,0,0]=4 836 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [2,0,0,0,0,0|2,0,0]=4 837 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [2,0,0,0,0,0|2,0,0]=4 838 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [2,0,0,0,0,0|2,0,0]=4 839 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [2,0,0,0,0,0|2,0,0]=4 840 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [2,0,0,0,0,0|1,0,1]=4 841 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [2,0,0,0,0,0|1,0,1]=4 842 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [2,0,0,0,0,0|2,0,0]=4 843 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [2,0,0,0,0,0|2,0,0]=4 844 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [2,0,0,0,0,0|2,0,0]=4 845 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|1,0,0]=3 846 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [2,0,0,0,0,0|2,0,0]=4 847 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [2,0,0,0,0,0|2,0,0]=4 848 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [2,0,0,0,0,0|1,0,1]=4 849 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [2,0,0,0,0,0|1,0,1]=4 850 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [2,0,0,0,0,0|2,0,0]=4 851 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [2,0,0,0,0,0|1,0,1]=4 852 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [2,0,0,0,0,0|1,0,1]=4 853 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [2,0,0,0,0,0|2,0,0]=4 854 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [2,0,0,0,0,0|2,0,0]=4 855 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [2,0,0,0,0,0|1,0,1]=4 856 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [2,0,0,0,0,0|1,0,1]=4 857 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [2,0,0,0,0,0|1,0,1]=4 858 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [2,0,0,0,0,0|2,0,0]=4 859 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [2,0,0,0,0,0|2,0,0]=4 860 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [2,0,0,0,0,0|1,0,1]=4 861 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [2,0,0,0,0,0|2,0,0]=4 862 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [2,0,0,0,0,0|2,0,0]=4 863 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [2,0,0,0,0,0|2,0,0]=4 864 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [2,0,0,0,0,0|2,0,0]=4 865 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|1,0,0]=3 866 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [2,0,0,0,0,0|1,0,1]=4 867 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 868 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 869 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|1,0,1]=4 870 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|1,0,1]=4 871 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,1]=4 872 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,1]=4 873 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,1]=4 874 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 875 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 876 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 877 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 878 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,1]=4 879 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [1,1,0,0,0,0|2,0,0]=4 880 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|1,0,1]=4 881 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|1,0,1]=4 882 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|2,0,0]=4 883 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|2,0,0]=4 884 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|1,0,1]=4 885 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|1,0,1]=4 886 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|1,0,1]=4 887 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,1]=4 888 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|1,0,1]=4 889 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 890 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 891 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 892 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|2,0,0]=4 893 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|1,0,1]=4 894 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|1,0,1]=4 895 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,1]=4 896 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [1,1,0,0,0,0|1,0,1]=4 897 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [1,1,0,0,0,0|2,0,0]=4 898 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [1,1,0,0,0,0|2,0,0]=4 899 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [1,1,0,0,0,0|2,0,0]=4 900 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [1,1,0,0,0,0|2,0,0]=4 901 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [1,1,0,0,0,0|1,0,1]=4 902 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [1,1,0,0,0,0|1,0,1]=4 903 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [1,1,0,0,0,0|2,0,0]=4 904 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [1,1,0,0,0,0|2,0,0]=4 905 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [1,1,0,0,0,0|0,0,1]=3 906 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [1,1,0,0,0,0|0,0,1]=3 907 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [1,1,0,0,0,0|1,0,1]=4 908 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [1,1,0,0,0,0|1,0,1]=4 909 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|1,0,1]=4 910 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|1,0,1]=4 911 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|1,0,1]=4 912 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|1,0,1]=4 913 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [1,1,0,0,0,0|2,0,0]=4 914 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [1,1,0,0,0,0|2,0,0]=4 915 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [1,1,0,0,0,0|1,0,1]=4 916 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [1,1,0,0,0,0|1,0,1]=4 917 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [1,1,0,0,0,0|1,0,1]=4 918 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [1,1,0,0,0,0|1,0,1]=4 919 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,1,0,0,0,0|1,0,1]=4 920 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,1]=4 921 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,1]=4 922 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,1]=4 923 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 924 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 925 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 926 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 927 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,1]=4 928 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|0,0,1]=3 929 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,1]=4 930 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 931 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 932 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 933 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|1,0,0]=3 934 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|1,0,0]=3 935 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 936 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 937 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 938 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 939 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 940 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 941 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,1]=4 942 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|1,0,1]=4 943 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|1,0,1]=4 944 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|1,0,1]=4 945 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|0,0,1]=3 946 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,1]=4 947 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,1]=4 948 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,1]=4 949 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|1,0,1]=4 950 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|1,0,1]=4 951 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|1,0,1]=4 952 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|1,0,1]=4 953 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|1,0,1]=4 954 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|1,0,1]=4 955 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [1,1,0,0,0,0|2,0,0]=4 956 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [1,1,0,0,0,0|2,0,0]=4 957 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [1,1,0,0,0,0|2,0,0]=4 958 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [1,1,0,0,0,0|2,0,0]=4 959 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [1,1,0,0,0,0|2,0,0]=4 960 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [1,1,0,0,0,0|2,0,0]=4 961 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [1,1,0,0,0,0|2,0,0]=4 962 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [1,1,0,0,0,0|2,0,0]=4 963 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [1,1,0,0,0,0|1,0,1]=4 964 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [1,1,0,0,0,0|1,0,1]=4 965 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [1,1,0,0,0,0|1,0,1]=4 966 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [1,1,0,0,0,0|1,0,1]=4 967 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [1,1,0,0,0,0|2,0,0]=4 968 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [1,1,0,0,0,0|2,0,0]=4 969 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [1,1,0,0,0,0|2,0,0]=4 970 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [1,1,0,0,0,0|2,0,0]=4 971 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [1,1,0,0,0,0|1,0,1]=4 972 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [1,1,0,0,0,0|1,0,1]=4 973 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [1,1,0,0,0,0|1,0,1]=4 974 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,1,0,0,0,0|2,0,0]=4 975 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,1,0,0,0,0|2,0,0]=4 976 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,1,0,0,0,0|2,0,0]=4 977 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,1,0,0,0,0|2,0,0]=4 978 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,1,0,0,0,0|2,0,0]=4 979 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,1,0,0,0,0|2,0,0]=4 980 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,1,0,0,0,0|2,0,0]=4 981 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|1,0,0]=3 982 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,1,0,0,0,0|1,0,1]=4 983 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,1,0,0,0,0|1,0,1]=4 984 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,1,0,0,0,0|0,0,2]=4 985 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,1]=4 986 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 987 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 988 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,1,0,0,0,0|2,0,0]=4 989 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [1,1,0,0,0,0|2,0,0]=4 990 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 991 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [1,1,0,0,0,0|2,0,0]=4 992 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 993 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [1,1,0,0,0,0|2,0,0]=4 994 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 995 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,1,0,0,0,0|1,0,0]=3 996 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,1,0,0,0,0|1,0,0]=3 997 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,1,0,0,0,0|1,0,0]=3 998 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,1,0,0,0,0|2,0,0]=4 999 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,1,0,0,0,0|2,0,0]=4 1000 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,1,0,0,0,0|2,0,0]=4 1001 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [1,1,0,0,0,0|2,0,0]=4 1002 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [1,1,0,0,0,0|2,0,0]=4 1003 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,1,0,0,0,0|1,0,0]=3 1004 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,1,0,0,0,0|1,0,0]=3 1005 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,1,0,0,0,0|1,0,0]=3 1006 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,1,0,0,0,0|1,0,0]=3 1007 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,1,0,0,0,0|1,0,0]=3 1008 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,1,0,0,0,0|1,0,0]=3 1009 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [1,1,0,0,0,0|2,0,0]=4 1010 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [1,1,0,0,0,0|2,0,0]=4 1011 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|2,0,0]=4 1012 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [1,1,0,0,0,0|2,0,0]=4 1013 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,1,0,0,0,0|2,0,0]=4 1014 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|2,0,0]=4 1015 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|2,0,0]=4 1016 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 1017 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 1018 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [1,1,0,0,0,0|2,0,0]=4 1019 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [1,1,0,0,0,0|2,0,0]=4 1020 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [1,1,0,0,0,0|2,0,0]=4 1021 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [1,1,0,0,0,0|2,0,0]=4 1022 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [1,1,0,0,0,0|2,0,0]=4 1023 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [1,1,0,0,0,0|2,0,0]=4 1024 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|2,0,0]=4 1025 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|2,0,0]=4 1026 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|0,0,2]=4 1027 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|1,0,1]=4 1028 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|1,0,1]=4 1029 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|1,0,0]=3 1030 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [1,1,0,0,0,0|1,0,0]=3 1031 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|1,0,0]=3 1032 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [1,1,0,0,0,0|0,0,2]=4 1033 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|1,0,1]=4 1034 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|1,0,1]=4 1035 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|1,0,1]=4 1036 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|1,0,1]=4 1037 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|1,0,1]=4 1038 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|1,0,1]=4 1039 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [1,1,0,0,0,0|2,0,0]=4 1040 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|1,0,0]=3 1041 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|1,0,0]=3 1042 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|1,0,0]=3 1043 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [1,1,0,0,0,0|0,0,2]=4 1044 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|1,0,1]=4 1045 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|1,0,1]=4 1046 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [1,1,0,0,0,0|0,0,2]=4 1047 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|1,0,1]=4 1048 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|1,0,1]=4 1049 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|1,0,1]=4 1050 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|1,0,1]=4 1051 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|1,0,1]=4 1052 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|1,0,1]=4 1053 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [1,1,0,0,0,0|2,0,0]=4 1054 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [1,1,0,0,0,0|2,0,0]=4 1055 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [1,1,0,0,0,0|0,0,2]=4 1056 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [1,1,0,0,0,0|0,0,2]=4 1057 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [1,1,0,0,0,0|1,0,1]=4 1058 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1059 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1060 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [1,1,0,0,0,0|1,0,1]=4 1061 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [1,1,0,0,0,0|1,0,1]=4 1062 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [1,1,0,0,0,0|1,0,1]=4 1063 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [1,1,0,0,0,0|2,0,0]=4 1064 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [1,1,0,0,0,0|2,0,0]=4 1065 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [1,1,0,0,0,0|2,0,0]=4 1066 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [1,1,0,0,0,0|2,0,0]=4 1067 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [1,1,0,0,0,0|1,0,1]=4 1068 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [1,1,0,0,0,0|2,0,0]=4 1069 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [1,1,0,0,0,0|1,0,1]=4 1070 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [1,1,0,0,0,0|1,0,0]=3 1071 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [1,1,0,0,0,0|2,0,0]=4 1072 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [1,1,0,0,0,0|2,0,0]=4 1073 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [1,1,0,0,0,0|1,0,1]=4 1074 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [1,1,0,0,0,0|1,0,1]=4 1075 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [1,1,0,0,0,0|1,0,1]=4 1076 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [1,1,0,0,0,0|1,0,1]=4 1077 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [1,1,0,0,0,0|1,0,1]=4 1078 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [1,1,0,0,0,0|1,0,1]=4 1079 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [1,1,0,0,0,0|1,0,1]=4 1080 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [1,1,0,0,0,0|1,0,1]=4 1081 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [1,1,0,0,0,0|0,0,1]=3 1082 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [1,1,0,0,0,0|2,0,0]=4 1083 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [1,1,0,0,0,0|2,0,0]=4 1084 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [1,1,0,0,0,0|2,0,0]=4 1085 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [1,1,0,0,0,0|2,0,0]=4 1086 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [1,1,0,0,0,0|2,0,0]=4 1087 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [1,1,0,0,0,0|2,0,0]=4 1088 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [1,1,0,0,0,0|2,0,0]=4 1089 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [1,1,0,0,0,0|1,0,1]=4 1090 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [1,1,0,0,0,0|2,0,0]=4 1091 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [1,1,0,0,0,0|2,0,0]=4 1092 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [1,1,0,0,0,0|2,0,0]=4 1093 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [1,1,0,0,0,0|2,0,0]=4 1094 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [1,1,0,0,0,0|2,0,0]=4 1095 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [1,1,0,0,0,0|2,0,0]=4 1096 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [1,1,0,0,0,0|2,0,0]=4 1097 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [1,1,0,0,0,0|2,0,0]=4 1099 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [1,1,0,0,0,0|2,0,0]=4 1100 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [1,1,0,0,0,0|2,0,0]=4 1101 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [1,1,0,0,0,0|2,0,0]=4 1102 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [1,1,0,0,0,0|2,0,0]=4 1103 B8R0.20 CCN(C)C(C=O)C=O 2230a_100000225621_100000736813 [1,1,0,0,0,0|1,0,1]=4 1104 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [1,1,0,0,0,0|1,0,1]=4 1105 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [1,1,0,0,0,0|1,0,1]=4 1106 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [1,1,0,0,0,0|2,0,0]=4 1107 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [1,1,0,0,0,0|2,0,0]=4 1108 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [1,1,0,0,0,0|2,0,0]=4 1109 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [1,1,0,0,0,0|2,0,0]=4 1110 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [1,1,0,0,0,0|1,0,1]=4 1111 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [1,1,0,0,0,0|1,0,1]=4 1112 B8R0.27 CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000210206 [1,1,0,0,0,0|1,0,1]=4 1113 B10R0.13 C=C(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000748629 [0,1,0,0,0,1|2,0,0]=4 1114 B10R0.13 C=C(F)CC(=O)C(C)C(C)C 1458a_100000755409_100009893438 [0,1,0,0,0,1|2,0,0]=4 1115 B10R0.13 CC(=O)C(C)C(=O)CC(=O)N 1458a_100134613110_100000179758 [0,1,0,0,0,1|1,0,1]=4 1116 B10R0.13 CC(=O)C(C)C(=O)NC(=O)N 1458a_100000070787_100000183865 [0,1,0,0,0,1|1,0,1]=4 1117 B10R0.13 CC(=O)CC(=O)N(C)C(C)C 1458a_100000070787_100000230190 [0,1,0,0,0,1|2,0,0]=4 1118 B10R0.13 CC(C(=O)NC(=O)N)N(C)C 2230a_100102631434_100000183865 [0,1,0,0,0,1|2,0,0]=4 1119 B10R0.13 CC(C(=O)NC(=O)N)N(C)C 269982a_100102631434_100000183865 [0,1,0,0,0,1|2,0,0]=4 1120 B10R0.13 CC(C)C(C)C(=O)CC(=O)N 1458a_100000755409_100000187820 [0,1,0,0,0,1|1,0,0]=3 1121 B10R0.13 CC(C)C(C)C(=O)CC(=O)[O-] 1458a_100000755409_100020667443 [0,1,0,0,0,1|0,0,1]=3 1122 B10R0.13 CC(C)C(C)C(=O)C[N+](=O)[O-] 1458a_100000755409_100000761209 [0,1,0,0,0,1|1,0,1]=4 1123 B10R0.13 CC(C)N(C)C(=O)CC(=O)N 240690a_200000211004_100134613110 [0,1,0,0,0,1|2,0,0]=4 1124 B10R0.13 CC(C)N(C)C(=O)CC(=O)N 527a_200000211004_100134613110 [0,1,0,0,0,1|2,0,0]=4 1125 B10R0.13 CC(C)[C@@H](O)C(=O)CC(=O)N 1458a_100000691806_100000187820 [0,1,0,0,0,1|2,0,0]=4 1126 B10R0.13 CC(C)[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000691806_100020667443 [0,1,0,0,0,1|1,0,1]=4 1127 B10R0.13 CC(O)CC(=O)C(C)C(C)C 1458a_100000755409_100011218427 [0,1,0,0,0,1|1,0,1]=4 1128 B10R0.13 C[C@@H](C(=O)CC(=O)N)N(C)C 1458a_100009822176_100000187820 [0,1,0,0,0,1|2,0,0]=4 1129 B10R0.13 C[C@@H](C(=O)CC(=O)[O-])N(C)C 1458a_100009822176_100020667443 [0,1,0,0,0,1|1,0,1]=4 1130 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [0,1,0,0,0,1|2,0,0]=4 1131 B10R0.32 C=C(C)CC(=O)C(C)COC 1458a_100000751857_100000748629 [0,1,0,0,0,1|2,0,0]=4 1132 B10R0.32 C=C(C)CC(=O)C(C)CSC 1458a_100000753918_100000748629 [0,1,0,0,0,1|2,0,0]=4 1133 B10R0.32 C=C(C)CC(=O)C(C)OCC 1458a_100000739345_100000748629 [0,1,0,0,0,1|2,0,0]=4 1134 B10R0.32 C=C(C)CC(=O)C(C)SCC 1458a_100000230601_100000748629 [0,1,0,0,0,1|2,0,0]=4 1135 B10R0.32 C=C(F)CC(=O)C(C)CCC 1458a_100000210906_100009893438 [0,1,0,0,0,1|2,0,0]=4 1136 B10R0.32 C=C(F)CC(=O)C(C)COC 1458a_100000751857_100009893438 [0,1,0,0,0,1|2,0,0]=4 1137 B10R0.32 C=C(F)CC(=O)C(C)CSC 1458a_100000753918_100009893438 [0,1,0,0,0,1|2,0,0]=4 1138 B10R0.32 C=C(F)CC(=O)C(C)OCC 1458a_100000739345_100009893438 [0,1,0,0,0,1|2,0,0]=4 1139 B10R0.32 C=C(F)CC(=O)C(C)SCC 1458a_100000230601_100009893438 [0,1,0,0,0,1|2,0,0]=4 1140 B10R0.32 C=CCC(C)C(=O)CC(=O)N 1458a_100011216819_100000187820 [0,1,0,0,0,1|1,0,1]=4 1141 B10R0.32 C=CCC(C)C(=O)CC(=O)[O-] 1458a_100011216819_100020667443 [0,1,0,0,0,1|0,0,2]=4 1142 B10R0.32 CC(=CC(=O)C(C)CCO)C 1458a_100000211388_100009893172 [0,1,0,0,0,1|2,0,0]=4 1143 B10R0.32 CC(=CC(=O)C(C)CCO)Cl 1458a_200042562850_100009893172 [0,1,0,0,0,1|2,0,0]=4 1144 B10R0.32 CC(=CC(=O)C(C)CCO)I 1458a_100025716642_100009893172 [0,1,0,0,0,1|2,0,0]=4 1145 B10R0.32 CC(CC#N)C(=O)CC(=O)N 1458a_100134613110_100009813641 [0,1,0,0,0,1|1,0,1]=4 1146 B10R0.32 CC(CCO)C(=O)C=C(Cl)Cl 1458a_100000137448_100009893172 [0,1,0,0,0,1|2,0,0]=4 1147 B10R0.32 CC(CCO)C(=O)CC(=O)N 1458a_100134613110_100009893172 [0,1,0,0,0,1|1,0,0]=3 1148 B10R0.32 CC(CCO)C(=O)C[C@@H](C)O 1458a_100011933948_100009893172 [0,1,0,0,0,1|1,0,1]=4 1149 B10R0.32 CC(CCO)N(C)CC(=O)O 269956a_100000746989_100009893172 [0,1,0,0,0,1|2,0,0]=4 1150 B10R0.32 CC(SCF)C(=O)NC(=O)N 62a_100000183865_100015361967 [0,1,0,0,0,1|2,0,0]=4 1151 B10R0.32 CC(SCF)C(=O)NC(=O)N 62a_100015361967_100000183865 [0,1,0,0,0,1|2,0,0]=4 1152 B10R0.32 CC/C=C(\C)/C(=O)CC(=O)N 1458a_100016988807_100000187820 [0,1,0,0,0,1|1,0,1]=4 1153 B10R0.32 CC/C=C(\C)/C(=O)CC(=O)[O-] 1458a_100016988807_100020667443 [0,1,0,0,0,1|0,0,2]=4 1154 B10R0.32 CCCC(C)C(=O)C=C(C)C 1458a_100000211388_100000766640 [0,1,0,0,0,1|2,0,0]=4 1155 B10R0.32 CCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000766640 [0,1,0,0,0,1|2,0,0]=4 1156 B10R0.32 CCCC(C)C(=O)C=C(C)I 1458a_100025716642_100000766640 [0,1,0,0,0,1|2,0,0]=4 1157 B10R0.32 CCCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000766640 [0,1,0,0,0,1|2,0,0]=4 1158 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [0,1,0,0,0,1|1,0,0]=3 1159 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [0,1,0,0,0,1|1,0,0]=3 1160 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [0,1,0,0,0,1|0,0,1]=3 1161 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,1,0,0,0,1|1,0,1]=4 1162 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,1,0,0,0,1|1,0,1]=4 1163 B10R0.32 CCCC(C)C(=O)C[N+](=O)[O-] 1458a_100000210906_100000761209 [0,1,0,0,0,1|1,0,1]=4 1164 B10R0.32 CCCC(C)N(C)CC(=O)O 269956a_100000746989_100000766640 [0,1,0,0,0,1|2,0,0]=4 1165 B10R0.32 CCCN(C)C(=O)CC(=O)N 240690a_100000747261_100134613110 [0,1,0,0,0,1|2,0,0]=4 1166 B10R0.32 CCCN(C)C(=O)CC(=O)N 527a_100000747261_100134613110 [0,1,0,0,0,1|2,0,0]=4 1167 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [0,1,0,0,0,1|2,0,0]=4 1168 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [0,1,0,0,0,1|1,0,1]=4 1169 B10R0.32 CCNC(C)C(=O)NC(=O)N 2230a_100015525214_100000183865 [0,1,0,0,0,1|1,0,0]=3 1170 B10R0.32 CCOC(C)C(=O)CC(=O)N 1458a_100000739345_100000187820 [0,1,0,0,0,1|1,0,0]=3 1171 B10R0.32 CCOC(C)C(=O)CC(=O)[O-] 1458a_100000739345_100020667443 [0,1,0,0,0,1|0,0,1]=3 1172 B10R0.32 CCOC(C)C(=O)CC(C)O 1458a_100000739345_100011218427 [0,1,0,0,0,1|1,0,1]=4 1173 B10R0.32 CCOC(C)C(=O)C[N+](=O)[O-] 1458a_100000739345_100000761209 [0,1,0,0,0,1|1,0,1]=4 1174 B10R0.32 CCSC(C)C(=O)CC(=O)N 1458a_100000230601_100000187820 [0,1,0,0,0,1|1,0,0]=3 1175 B10R0.32 CCSC(C)C(=O)CC(=O)[O-] 1458a_100000230601_100020667443 [0,1,0,0,0,1|0,0,1]=3 1176 B10R0.32 CCSC(C)C(=O)CC(C)O 1458a_100000230601_100011218427 [0,1,0,0,0,1|1,0,1]=4 1177 B10R0.32 CCSC(C)C(=O)C[N+](=O)[O-] 1458a_100000230601_100000761209 [0,1,0,0,0,1|1,0,1]=4 1178 B10R0.32 CCSC(C)C(=O)NC(=O)N 62a_100000183865_100000210202 [0,1,0,0,0,1|1,0,0]=3 1179 B10R0.32 CCSC(C)C(=O)NC(=O)N 62a_100000210202_100000183865 [0,1,0,0,0,1|1,0,0]=3 1180 B10R0.32 CN(CCO)C(=O)CC(=O)N 240690a_100000210263_100134613110 [0,1,0,0,0,1|2,0,0]=4 1181 B10R0.32 CN(CCO)C(=O)CC(=O)N 527a_100000210263_100134613110 [0,1,0,0,0,1|2,0,0]=4 1182 B10R0.32 COCC(C)C(=O)C=C(C)C 1458a_100000211388_100000765312 [0,1,0,0,0,1|2,0,0]=4 1183 B10R0.32 COCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000765312 [0,1,0,0,0,1|2,0,0]=4 1184 B10R0.32 COCC(C)C(=O)C=C(C)I 1458a_100025716642_100000765312 [0,1,0,0,0,1|2,0,0]=4 1185 B10R0.32 COCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000765312 [0,1,0,0,0,1|2,0,0]=4 1186 B10R0.32 COCC(C)C(=O)CC(=O)N 1458a_100000751857_100000187820 [0,1,0,0,0,1|1,0,0]=3 1187 B10R0.32 COCC(C)C(=O)CC(=O)N 1458a_100134613110_100000765312 [0,1,0,0,0,1|1,0,0]=3 1188 B10R0.32 COCC(C)C(=O)CC(=O)[O-] 1458a_100000751857_100020667443 [0,1,0,0,0,1|0,0,1]=3 1189 B10R0.32 COCC(C)C(=O)CC(C)O 1458a_100000751857_100011218427 [0,1,0,0,0,1|1,0,1]=4 1190 B10R0.32 COCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000765312 [0,1,0,0,0,1|1,0,1]=4 1191 B10R0.32 COCC(C)C(=O)C[N+](=O)[O-] 1458a_100000751857_100000761209 [0,1,0,0,0,1|1,0,1]=4 1192 B10R0.32 COCC(C)N(C)CC(=O)O 269956a_100000746989_100000765312 [0,1,0,0,0,1|2,0,0]=4 1193 B10R0.32 CSCC(C)C(=O)CC(=O)N 1458a_100000753918_100000187820 [0,1,0,0,0,1|1,0,0]=3 1194 B10R0.32 CSCC(C)C(=O)CC(=O)[O-] 1458a_100000753918_100020667443 [0,1,0,0,0,1|0,0,1]=3 1195 B10R0.32 CSCC(C)C(=O)CC(C)O 1458a_100000753918_100011218427 [0,1,0,0,0,1|1,0,1]=4 1196 B10R0.32 CSCC(C)C(=O)C[N+](=O)[O-] 1458a_100000753918_100000761209 [0,1,0,0,0,1|1,0,1]=4 1197 B10R0.37 CCC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000758301 [0,1,0,0,0,1|1,0,1]=4 1198 B10R0.37 CCC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100000758301 [0,1,0,0,0,1|1,0,1]=4 1199 B10R0.37 CCC(C)C(=O)CS(=O)(=O)N 1458a_100011192722_100000741382 [0,1,0,0,0,1|1,0,1]=4 1200 B10R0.37 CCC(C)C(=O)CS(=O)(=O)[O-] 1458a_100011192722_100009817235 [0,1,0,0,0,1|1,0,1]=4 1201 B10R0.37 CCC(C)C(=O)NS(=O)(=O)C 2740a_100000171171_100011192722 [0,1,0,0,0,1|1,0,1]=4 1202 B10R0.46 C#CC(=O)CC(=O)N(C)CC 1458a_100000211873_100011894763 [0,1,0,0,0,1|2,0,0]=4 1203 B10R0.46 C#CC(C)C(=O)CC(=O)OC 1458a_100000211351_200000035995 [0,1,0,0,0,1|0,0,2]=4 1204 B10R0.46 C/C=C(\C)/C(=O)CC(=O)OC 1458a_100020587367_100000747449 [0,1,0,0,0,1|0,0,2]=4 1205 B10R0.46 C=C(C#N)CC(=O)C(C)CC 1458a_100011192722_100000694840 [0,1,0,0,0,1|2,0,0]=4 1206 B10R0.46 C=CC(=O)CC(=O)N(C)CC 1458a_100000185746_100011894763 [0,1,0,0,0,1|2,0,0]=4 1207 B10R0.46 C=CC(C)C(=O)CC(=O)OC 1458a_100011216780_100000747449 [0,1,0,0,0,1|0,0,2]=4 1208 B10R0.46 CCC(=CC(=O)C(C)CC)C 1458a_100020758463_100000758301 [0,1,0,0,0,1|2,0,0]=4 1209 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [0,1,0,0,0,1|1,0,0]=3 1210 B10R0.46 CCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747405 [0,1,0,0,0,1|2,0,0]=4 1211 B10R0.46 CCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747405 [0,1,0,0,0,1|2,0,0]=4 1212 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [0,1,0,0,0,1|2,0,0]=4 1213 B10R0.46 CCC(=O)CC(=O)N(C)CC 1458a_100000210414_100011894763 [0,1,0,0,0,1|2,0,0]=4 1214 B10R0.46 CCC(C)C(=O)CC(=O)NC 1458a_100011192722_100000183359 [0,1,0,0,0,1|1,0,0]=3 1215 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [0,1,0,0,0,1|0,0,0]=2 1216 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [0,1,0,0,0,1|0,0,0]=2 1217 B10R0.46 CCC(C)C(=O)C[C@@H](C)CO 1458a_100011192722_100000059175 [0,1,0,0,0,1|1,0,1]=4 1218 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100011192722 [0,1,0,0,0,1|1,0,1]=4 1219 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100011192722 [0,1,0,0,0,1|1,0,1]=4 1220 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000198492_100000758301 [0,1,0,0,0,1|2,0,0]=4 1221 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000741768_100000747449 [0,1,0,0,0,1|2,0,0]=4 1222 B10R0.46 CCC(C)N(C)CC(=O)OC 269982a_100000741768_100000747449 [0,1,0,0,0,1|2,0,0]=4 1223 B10R0.46 CCC(O)C(=O)CC(=O)NC 1458a_100011196387_100000183359 [0,1,0,0,0,1|2,0,0]=4 1224 B10R0.46 CCC(O)C(=O)CC(=O)OC 1458a_100011196387_100000747449 [0,1,0,0,0,1|1,0,0]=3 1225 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,1,0,0,0,1|1,0,1]=4 1226 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,1,0,0,0,1|1,0,1]=4 1227 B10R0.46 CCN(C)C(=O)CC(=O)CO 1458a_100000210174_100011894763 [0,1,0,0,0,1|1,0,0]=3 1228 B10R0.46 CCN(C)C(=O)CC(=O)OC 240690a_100000225621_100000211351 [0,1,0,0,0,1|1,0,0]=3 1229 B10R0.46 CNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000183359 [0,1,0,0,0,1|2,0,0]=4 1230 B10R0.46 CNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183359 [0,1,0,0,0,1|2,0,0]=4 1231 B10R0.46 CNC(=O)NC(=O)C(C)NC 2230a_106832991635_100000183807 [0,1,0,0,0,1|2,0,0]=4 1232 B10R0.46 CNC(=O)NC(=O)C(C)NC 7a_106832991635_100000183807 [0,1,0,0,0,1|2,0,0]=4 1233 B10R0.46 CNC(=O)NC(=O)C(C)SC 62a_100000183807_200000210301 [0,1,0,0,0,1|2,0,0]=4 1234 B10R0.46 CNC(=O)NC(=O)C(C)SC 62a_200000210301_100000183807 [0,1,0,0,0,1|2,0,0]=4 1235 B10R0.46 CNC(=O)NC(=O)C(C)S[13CH3] 62a_100000183807_200025704644 [0,1,0,0,0,1|2,0,0]=4 1236 B10R0.46 CNC(=O)NC(=O)C(C)S[13CH3] 62a_200025704644_100000183807 [0,1,0,0,0,1|2,0,0]=4 1237 B10R0.46 COC(=O)CC(=O)C(C)C#N 1458a_100000211351_100000703298 [0,1,0,0,0,1|1,0,1]=4 1238 B10R0.46 COC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000747449 [0,1,0,0,0,1|1,0,1]=4 1239 B10R0.46 COC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747449 [0,1,0,0,0,1|1,0,0]=3 1240 B10R0.46 COC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747449 [0,1,0,0,0,1|1,0,0]=3 1241 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_100009997173_200000210301 [0,1,0,0,0,1|1,0,0]=3 1242 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_200000210301_100009997173 [0,1,0,0,0,1|1,0,0]=3 1243 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_100009997173_200025704644 [0,1,0,0,0,1|1,0,0]=3 1244 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100009997173 [0,1,0,0,0,1|1,0,0]=3 1245 B10R0.46 COC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747449 [0,1,0,0,0,1|2,0,0]=4 1246 B10R0.46 CON(C)C(=O)CC(=O)CO 1458a_100000210174_100000764215 [0,1,0,0,0,1|2,0,0]=4 1247 B10R0.54 CCC(C)N(CC)CC(=O)O 269956a_100000746405_100000758301 [0,1,0,0,0,1|2,0,0]=4 1248 B10R0.54 CC[C@H](C)[C@@H](CC(=O)O)NC 269956a_100020625877_200000210301 [0,1,0,0,0,1|1,0,1]=4 1249 B10R0.54 CC[C@H](C)[C@@H](CC(=O)O)N[13CH3] 269956a_100020625877_200025704644 [0,1,0,0,0,1|1,0,1]=4 1250 B10R0.56 CCC(C)C(=O)C(C)C(=O)C 1458a_100011192722_100000179758 [0,1,0,0,0,1|1,0,0]=3 1251 B10R0.56 CCC(C)C(=O)C(C)C(=O)N 1458a_100011192722_100000702099 [0,1,0,0,0,1|1,0,0]=3 1252 B10R0.56 CCC(C)C(=O)C(F)C(=O)N 1458a_100011192722_100009813875 [0,1,0,0,0,1|1,0,0]=3 1253 B10R0.56 CCC(C)C(=O)C(F)C(=O)[O-] 1458a_100011192722_100020610796 [0,1,0,0,0,1|0,0,1]=3 1254 B10R0.56 CCC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000758301 [0,1,0,0,0,1|2,0,0]=4 1255 B10R0.56 CCC(O)C(=O)C(C)C(=O)C 1458a_100011196387_100000179758 [0,1,0,0,0,1|2,0,0]=4 1256 B10R0.56 CCC(O)C(=O)C(C)C(=O)N 1458a_100011196387_100000702099 [0,1,0,0,0,1|2,0,0]=4 1257 B10R0.56 CCC(O)C(=O)C(F)C(=O)N 1458a_100011196387_100009813875 [0,1,0,0,0,1|2,0,0]=4 1258 B10R0.56 CCC(O)C(=O)C(F)C(=O)[O-] 1458a_100011196387_100020610796 [0,1,0,0,0,1|1,0,1]=4 1259 B10R0.56 CCN(C)C(=O)C(C)C(=O)C 1458a_100000070787_200012002205 [0,1,0,0,0,1|2,0,0]=4 1260 B10R0.56 COC(C)C(=O)C(C)C(=O)C 1458a_100000743197_100000179758 [0,1,0,0,0,1|2,0,0]=4 1261 B10R0.56 COC(C)C(=O)C(C)C(=O)N 1458a_100000743197_100000702099 [0,1,0,0,0,1|2,0,0]=4 1262 B10R0.56 COC(C)C(=O)C(F)C(=O)N 1458a_100000743197_100009813875 [0,1,0,0,0,1|2,0,0]=4 1263 B10R0.56 COC(C)C(=O)C(F)C(=O)[O-] 1458a_100000743197_100020610796 [0,1,0,0,0,1|1,0,1]=4 1264 B10R0.56 CSC(C)C(=O)C(C)C(=O)C 1458a_100000149566_100000179758 [0,1,0,0,0,1|2,0,0]=4 1265 B10R0.56 CSC(C)C(=O)C(C)C(=O)N 1458a_100000149566_100000702099 [0,1,0,0,0,1|2,0,0]=4 1266 B10R0.56 CSC(C)C(=O)C(F)C(=O)N 1458a_100000149566_100009813875 [0,1,0,0,0,1|2,0,0]=4 1267 B10R0.56 CSC(C)C(=O)C(F)C(=O)[O-] 1458a_100000149566_100020610796 [0,1,0,0,0,1|1,0,1]=4 1268 B10R0.63 C=C(C)CC(=O)C(C)(C)CC 1458a_100000749717_100000748629 [0,1,0,0,0,1|2,0,0]=4 1269 B10R0.63 C=C(C)CC(=O)C(C)(O)CC 1458a_100011219770_100000748629 [0,1,0,0,0,1|2,0,0]=4 1270 B10R0.63 C=C(F)CC(=O)C(C)(C)CC 1458a_100000749717_100009893438 [0,1,0,0,0,1|2,0,0]=4 1271 B10R0.63 C=C(F)CC(=O)C(C)(O)CC 1458a_100011219770_100009893438 [0,1,0,0,0,1|2,0,0]=4 1272 B10R0.63 CC(C)(CF)C(=O)CC(=O)N 1458a_100000138116_100000187820 [0,1,0,0,0,1|2,0,0]=4 1273 B10R0.63 CC(C)(CF)C(=O)CC(=O)[O-] 1458a_100000138116_100020667443 [0,1,0,0,0,1|1,0,1]=4 1274 B10R0.63 CC(C)(CO)C(=O)CC(=O)N 1458a_100000749806_100000187820 [0,1,0,0,0,1|2,0,0]=4 1275 B10R0.63 CC(C)(CO)C(=O)CC(=O)[O-] 1458a_100000749806_100020667443 [0,1,0,0,0,1|1,0,1]=4 1276 B10R0.63 CCC(C)(C)C(=O)CC(=O)N 1458a_100000749717_100000187820 [0,1,0,0,0,1|1,0,0]=3 1277 B10R0.63 CCC(C)(C)C(=O)CC(=O)[O-] 1458a_100000749717_100020667443 [0,1,0,0,0,1|0,0,1]=3 1278 B10R0.63 CCC(C)(C)C(=O)CC(C)O 1458a_100000749717_100011218427 [0,1,0,0,0,1|1,0,1]=4 1279 B10R0.63 CCC(C)(C)C(=O)C[N+](=O)[O-] 1458a_100000749717_100000761209 [0,1,0,0,0,1|1,0,1]=4 1280 B10R0.63 CCC(C)(C)N(C)CC(=O)O 269956a_100000746989_100000032637 [0,1,0,0,0,1|2,0,0]=4 1281 B10R0.63 CCC(C)(O)C(=O)CC(=O)N 1458a_100011219770_100000187820 [0,1,0,0,0,1|1,0,0]=3 1282 B10R0.63 CCC(C)(O)C(=O)CC(=O)[O-] 1458a_100011219770_100020667443 [0,1,0,0,0,1|0,0,1]=3 1283 B10R0.63 CCC(C)(O)C(=O)CC(C)O 1458a_100011219770_100011218427 [0,1,0,0,0,1|1,0,1]=4 1284 B10R0.63 CCC(C)(O)C(=O)C[N+](=O)[O-] 1458a_100011219770_100000761209 [0,1,0,0,0,1|1,0,1]=4 1285 B10R0.63 CCC(F)(F)C(=O)CC(=O)N 1458a_100000061896_100000187820 [0,1,0,0,0,1|2,0,0]=4 1286 B10R0.63 CCC(F)(F)C(=O)CC(=O)[O-] 1458a_100000061896_100020667443 [0,1,0,0,0,1|1,0,1]=4 1287 B10R0.63 COC(C)(C)C(=O)CC(=O)N 1458a_100000753492_100000187820 [0,1,0,0,0,1|2,0,0]=4 1288 B10R0.63 COC(C)(C)C(=O)CC(=O)[O-] 1458a_100000753492_100020667443 [0,1,0,0,0,1|1,0,1]=4 1289 B10R0.144 C=C(C)CC(=O)C(CC)CC 1458a_100000211163_100000748629 [0,1,0,0,0,1|2,0,0]=4 1290 B10R0.144 C=C(C)CC(=O)C(CC)OC 1458a_100000747056_100000748629 [0,1,0,0,0,1|2,0,0]=4 1291 B10R0.144 C=C(F)CC(=O)C(CC)CC 1458a_100000211163_100009893438 [0,1,0,0,0,1|2,0,0]=4 1292 B10R0.144 C=C(F)CC(=O)C(CC)OC 1458a_100000747056_100009893438 [0,1,0,0,0,1|2,0,0]=4 1293 B10R0.144 CCC(CC)C(=O)C=C(C)C 1458a_100000211388_100000210505 [0,1,0,0,0,1|2,0,0]=4 1294 B10R0.144 CCC(CC)C(=O)C=C(C)Cl 1458a_200042562850_100000210505 [0,1,0,0,0,1|2,0,0]=4 1295 B10R0.144 CCC(CC)C(=O)C=C(C)I 1458a_100025716642_100000210505 [0,1,0,0,0,1|2,0,0]=4 1296 B10R0.144 CCC(CC)C(=O)C=C(Cl)Cl 1458a_100000137448_100000210505 [0,1,0,0,0,1|2,0,0]=4 1297 B10R0.144 CCC(CC)C(=O)CC(=O)N 1458a_100000211163_100000187820 [0,1,0,0,0,1|1,0,0]=3 1298 B10R0.144 CCC(CC)C(=O)CC(=O)N 1458a_100134613110_100000210505 [0,1,0,0,0,1|1,0,0]=3 1299 B10R0.144 CCC(CC)C(=O)CC(=O)[O-] 1458a_100000211163_100020667443 [0,1,0,0,0,1|0,0,1]=3 1300 B10R0.144 CCC(CC)C(=O)CC(C)O 1458a_100000211163_100011218427 [0,1,0,0,0,1|1,0,1]=4 1301 B10R0.144 CCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100000210505 [0,1,0,0,0,1|1,0,1]=4 1302 B10R0.144 CCC(CC)C(=O)C[N+](=O)[O-] 1458a_100000211163_100000761209 [0,1,0,0,0,1|1,0,1]=4 1303 B10R0.144 CCC(CC)N(C)CC(=O)O 269956a_100000746989_100000210505 [0,1,0,0,0,1|2,0,0]=4 1304 B10R0.144 CCC(OC)C(=O)CC(=O)N 1458a_100000747056_100000187820 [0,1,0,0,0,1|1,0,0]=3 1305 B10R0.144 CCC(OC)C(=O)CC(=O)[O-] 1458a_100000747056_100020667443 [0,1,0,0,0,1|0,0,1]=3 1306 B10R0.144 CCC(OC)C(=O)CC(C)O 1458a_100000747056_100011218427 [0,1,0,0,0,1|1,0,1]=4 1307 B10R0.144 CCC(OC)C(=O)C[N+](=O)[O-] 1458a_100000747056_100000761209 [0,1,0,0,0,1|1,0,1]=4 1308 B10R0.144 CCN(CC)C(=O)CC(=O)C 1458a_100000070787_100000211521 [0,1,0,0,0,1|2,0,0]=4 1309 B10R0.144 CCN(CC)C(=O)CC(=O)N 240690a_100000724800_100134613110 [0,1,0,0,0,1|2,0,0]=4 1310 B10R0.144 CCN(CC)C(=O)CC(=O)N 527a_100000724800_100134613110 [0,1,0,0,0,1|2,0,0]=4 1311 B10R0.144 COC(OC)C(=O)CC(=O)N 1458a_100000046285_100000187820 [0,1,0,0,0,1|2,0,0]=4 1312 B10R0.144 COC(OC)C(=O)CC(=O)[O-] 1458a_100000046285_100020667443 [0,1,0,0,0,1|1,0,1]=4 1313 B10R0.26 C=C(Br)C(=O)NC(C)CCC 11a_100000741246_100009813364 [0,1,0,0,0,1|2,0,0]=4 1314 B10R0.26 C=C(Br)C(=O)NC(C)CCC 1626a_100000741246_100009813364 [0,1,0,0,0,1|2,0,0]=4 1315 B10R0.26 C=C(Br)C(=O)N[C@H](C)COC 11a_100000764878_100009813364 [0,1,0,0,0,1|2,0,0]=4 1316 B10R0.26 C=C(Br)C(=O)N[C@H](C)COC 1626a_100000764878_100009813364 [0,1,0,0,0,1|2,0,0]=4 1317 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,1,0,0,0,1|2,0,0]=4 1318 B10R0.26 C=C(C)C(=O)NC(C)CCC 11a_100000741246_100000185857 [0,1,0,0,0,1|2,0,0]=4 1319 B10R0.26 C=C(C)C(=O)NC(C)CCC 1626a_100000741246_100000185857 [0,1,0,0,0,1|2,0,0]=4 1320 B10R0.26 C=C(C)C(=O)N[C@H](C)COC 11a_100000764878_100000185857 [0,1,0,0,0,1|2,0,0]=4 1321 B10R0.26 C=C(C)C(=O)N[C@H](C)COC 1626a_100000764878_100000185857 [0,1,0,0,0,1|2,0,0]=4 1322 B10R0.26 C=C(Cl)C(=O)NC(C)CCC 11a_100000741246_100000039160 [0,1,0,0,0,1|2,0,0]=4 1323 B10R0.26 C=C(Cl)C(=O)NC(C)CCC 1626a_100000741246_100000039160 [0,1,0,0,0,1|2,0,0]=4 1324 B10R0.26 C=C(Cl)C(=O)N[C@H](C)COC 11a_100000764878_100000039160 [0,1,0,0,0,1|2,0,0]=4 1325 B10R0.26 C=C(Cl)C(=O)N[C@H](C)COC 1626a_100000764878_100000039160 [0,1,0,0,0,1|2,0,0]=4 1326 B10R0.26 C=C(F)C(=O)NC(C)CCC 11a_100000741246_100000036797 [0,1,0,0,0,1|2,0,0]=4 1327 B10R0.26 C=C(F)C(=O)NC(C)CCC 1626a_100000741246_100000036797 [0,1,0,0,0,1|2,0,0]=4 1328 B10R0.26 C=C(F)C(=O)N[C@H](C)COC 11a_100000764878_100000036797 [0,1,0,0,0,1|2,0,0]=4 1329 B10R0.26 C=C(F)C(=O)N[C@H](C)COC 1626a_100000764878_100000036797 [0,1,0,0,0,1|2,0,0]=4 1330 B10R0.26 CC(=O)C(=O)CN(C)CCO 269982a_100000210263_100011261029 [0,1,0,0,0,1|2,0,0]=4 1331 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,1,0,0,0,1|1,0,1]=4 1332 B10R0.26 CCCC(C)CC(=O)C(O)O 1458a_100000233687_100011216630 [0,1,0,0,0,1|0,0,2]=4 1333 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,1,0,0,0,1|1,0,1]=4 1334 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,1,0,0,0,1|1,0,1]=4 1335 B10R0.26 CCCC(C)NC(=O)C(=O)N 240690a_100000741246_100011215815 [0,1,0,0,0,1|1,0,0]=3 1336 B10R0.26 CCCC(C)NC(=O)C(O)O 240690a_100000741246_100000233687 [0,1,0,0,0,1|0,0,2]=4 1337 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [0,1,0,0,0,1|1,0,1]=4 1338 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [0,1,0,0,0,1|1,0,1]=4 1339 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [0,1,0,0,0,1|1,0,1]=4 1340 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,1,0,0,0,1|1,0,1]=4 1341 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,1,0,0,0,1|2,0,0]=4 1342 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,1,0,0,0,1|1,0,1]=4 1343 B10R0.26 COC[C@@H](C)NC(=O)C(=O)N 240690a_100000764878_100011215815 [0,1,0,0,0,1|1,0,0]=3 1344 B10R0.26 COC[C@@H](C)NC(=O)C(O)O 240690a_100000764878_100000233687 [0,1,0,0,0,1|0,0,2]=4 1345 B10R0.26 COC[C@@H](C)NC(=O)[C@@H](C)O 240690a_100000764878_100000717761 [0,1,0,0,0,1|1,0,1]=4 1346 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 1626a_100000764878_217856618621 [0,1,0,0,0,1|1,0,1]=4 1347 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 240690a_100000764878_217856618621 [0,1,0,0,0,1|1,0,1]=4 1348 B10R0.26 C[C@@H](CC#N)NC(=O)C(=O)N 240690a_100016994482_100011215815 [0,1,0,0,0,1|1,0,1]=4 1349 B10R0.26 C[C@H](CCO)NC(=O)C(=O)N 240690a_100000706166_100011215815 [0,1,0,0,0,1|1,0,0]=3 1350 B10R0.26 C[C@H](CCO)NC(=O)C(O)O 240690a_100000706166_100000233687 [0,1,0,0,0,1|0,0,2]=4 1351 B10R0.26 C[C@H](CCO)NC(=O)[C@@H](C)O 240690a_100000706166_100000717761 [0,1,0,0,0,1|1,0,1]=4 1352 B10R0.26 C[C@H](CCO)NC(=O)[C@H](C)O 240690a_100000706166_217856618621 [0,1,0,0,0,1|1,0,1]=4 1353 B10R0.52 CCC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748023 [0,1,0,0,0,1|1,0,1]=4 1354 B10R0.52 CCC(C)NC(=O)C(C)(C)O 240690a_100000209981_100000242741 [0,1,0,0,0,1|1,0,1]=4 1355 B10R0.52 CC[C@H](C)CC(=O)C(C)(C)O 1458a_100000242741_100009816398 [0,1,0,0,0,1|1,0,1]=4 1356 B10R0.53 C=C[C@H](NC(C)CC)C(=O)O 269956a_100016992060_100000758301 [0,1,0,0,0,1|1,0,1]=4 1357 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,1,0,0,0,1|0,0,2]=4 1358 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,1,0,0,0,1|1,0,1]=4 1359 B10R0.67 C=C(Br)C(=O)NC(C)(C)CC 11a_100000211385_100009813364 [0,1,0,0,0,1|2,0,0]=4 1360 B10R0.67 C=C(Br)C(=O)NC(C)(C)CC 1626a_100000211385_100009813364 [0,1,0,0,0,1|2,0,0]=4 1361 B10R0.67 C=C(C)C(=O)NC(C)(C)CC 11a_100000211385_100000185857 [0,1,0,0,0,1|2,0,0]=4 1362 B10R0.67 C=C(C)C(=O)NC(C)(C)CC 1626a_100000211385_100000185857 [0,1,0,0,0,1|2,0,0]=4 1363 B10R0.67 C=C(Cl)C(=O)NC(C)(C)CC 11a_100000211385_100000039160 [0,1,0,0,0,1|2,0,0]=4 1364 B10R0.67 C=C(Cl)C(=O)NC(C)(C)CC 1626a_100000211385_100000039160 [0,1,0,0,0,1|2,0,0]=4 1365 B10R0.67 C=C(F)C(=O)NC(C)(C)CC 11a_100000211385_100000036797 [0,1,0,0,0,1|2,0,0]=4 1366 B10R0.67 C=C(F)C(=O)NC(C)(C)CC 1626a_100000211385_100000036797 [0,1,0,0,0,1|2,0,0]=4 1367 B10R0.67 CC(C)(CO)NC(=O)C(=O)N 240690a_100000210608_100011215815 [0,1,0,0,0,1|2,0,0]=4 1368 B10R0.67 CCC(C)(C)NC(=O)C(=O)C 1458a_200011297151_200000210301 [0,1,0,0,0,1|1,0,0]=3 1369 B10R0.67 CCC(C)(C)NC(=O)C(=O)N 240690a_100000211385_100011215815 [0,1,0,0,0,1|1,0,0]=3 1370 B10R0.67 CCC(C)(C)NC(=O)C(=O)[13CH3] 1458a_200011297151_200025704644 [0,1,0,0,0,1|1,0,0]=3 1371 B10R0.67 CCC(C)(C)NC(=O)C(O)O 240690a_100000211385_100000233687 [0,1,0,0,0,1|0,0,2]=4 1372 B10R0.67 CCC(C)(C)NC(=O)[C@@H](C)O 240690a_100000211385_100000717761 [0,1,0,0,0,1|1,0,1]=4 1373 B10R0.67 CCC(C)(C)NC(=O)[C@H](C)O 1626a_100000211385_217856618621 [0,1,0,0,0,1|1,0,1]=4 1374 B10R0.67 CCC(C)(C)NC(=O)[C@H](C)O 240690a_100000211385_217856618621 [0,1,0,0,0,1|1,0,1]=4 1375 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,1,0,0,0,1|1,0,1]=4 1376 B10R0.72 C=C(Br)C(=O)NC(CC)CC 11a_100000199018_100009813364 [0,1,0,0,0,1|2,0,0]=4 1377 B10R0.72 C=C(Br)C(=O)NC(CC)CC 1626a_100000199018_100009813364 [0,1,0,0,0,1|2,0,0]=4 1378 B10R0.72 C=C(C)C(=O)CC(CC)CC 1458a_100000185857_100011215472 [0,1,0,0,0,1|2,0,0]=4 1379 B10R0.72 C=C(C)C(=O)NC(CC)CC 11a_100000199018_100000185857 [0,1,0,0,0,1|2,0,0]=4 1380 B10R0.72 C=C(C)C(=O)NC(CC)CC 1626a_100000199018_100000185857 [0,1,0,0,0,1|2,0,0]=4 1381 B10R0.72 C=C(Cl)C(=O)NC(CC)CC 11a_100000199018_100000039160 [0,1,0,0,0,1|2,0,0]=4 1382 B10R0.72 C=C(Cl)C(=O)NC(CC)CC 1626a_100000199018_100000039160 [0,1,0,0,0,1|2,0,0]=4 1383 B10R0.72 C=C(F)C(=O)NC(CC)CC 11a_100000199018_100000036797 [0,1,0,0,0,1|2,0,0]=4 1384 B10R0.72 C=C(F)C(=O)NC(CC)CC 1626a_100000199018_100000036797 [0,1,0,0,0,1|2,0,0]=4 1385 B10R0.72 CCC(CC)CC(=O)C(O)O 1458a_100000233687_100011215472 [0,1,0,0,0,1|0,0,2]=4 1386 B10R0.72 CCC(CC)CC(=O)[C@@H](C)O 1458a_100000717761_100011215472 [0,1,0,0,0,1|1,0,1]=4 1387 B10R0.72 CCC(CC)CC(=O)[C@H](C)O 1458a_217856618621_100011215472 [0,1,0,0,0,1|1,0,1]=4 1388 B10R0.72 CCC(CC)NC(=O)C(=O)N 240690a_100000199018_100011215815 [0,1,0,0,0,1|1,0,0]=3 1389 B10R0.72 CCC(CC)NC(=O)C(O)O 240690a_100000199018_100000233687 [0,1,0,0,0,1|0,0,2]=4 1390 B10R0.72 CCC(CC)NC(=O)[C@@H](C)O 240690a_100000199018_100000717761 [0,1,0,0,0,1|1,0,1]=4 1391 B10R0.72 CCC(CC)NC(=O)[C@H](C)O 1626a_100000199018_217856618621 [0,1,0,0,0,1|1,0,1]=4 1392 B10R0.72 CCC(CC)NC(=O)[C@H](C)O 240690a_100000199018_217856618621 [0,1,0,0,0,1|1,0,1]=4 1393 B10R0.72 CCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100000210505 [0,1,0,0,0,1|1,0,1]=4 1394 B10R0.72 CCN(CC)CC(=O)C(=O)C 269956a_100000042499_100011261029 [0,1,0,0,0,1|2,0,0]=4 1395 B10R0.72 CCN(CC)CC(=O)C(=O)C 269982a_100000724800_100011261029 [0,1,0,0,0,1|2,0,0]=4 1396 B10R0.72 CC[C@@H](CO)NC(=O)C(=O)N 240690a_100000709445_100011215815 [0,1,0,0,0,1|1,0,0]=3 1397 B10R0.72 CC[C@@H](CO)NC(=O)C(O)O 240690a_100000709445_100000233687 [0,1,0,0,0,1|0,0,2]=4 1398 B10R0.72 CC[C@@H](CO)NC(=O)[C@@H](C)O 240690a_100000709445_100000717761 [0,1,0,0,0,1|1,0,1]=4 1399 B10R0.72 CC[C@@H](CO)NC(=O)[C@H](C)O 240690a_100000709445_217856618621 [0,1,0,0,0,1|1,0,1]=4 1400 B10R0.72 NC(=O)C(=O)NC(CO)CO 240690a_100000759517_100011215815 [0,1,0,0,0,1|2,0,0]=4 1401 B10R0.93 C=C(Br)C(=O)NC(C)C(C)C 11a_100000211541_100009813364 [0,1,0,0,0,1|2,0,0]=4 1402 B10R0.93 C=C(Br)C(=O)NC(C)C(C)C 1626a_100000211541_100009813364 [0,1,0,0,0,1|2,0,0]=4 1403 B10R0.93 C=C(C)C(=O)NC(C)C(C)C 11a_100000211541_100000185857 [0,1,0,0,0,1|2,0,0]=4 1404 B10R0.93 C=C(C)C(=O)NC(C)C(C)C 1626a_100000211541_100000185857 [0,1,0,0,0,1|2,0,0]=4 1405 B10R0.93 C=C(Cl)C(=O)NC(C)C(C)C 11a_100000211541_100000039160 [0,1,0,0,0,1|2,0,0]=4 1406 B10R0.93 C=C(Cl)C(=O)NC(C)C(C)C 1626a_100000211541_100000039160 [0,1,0,0,0,1|2,0,0]=4 1407 B10R0.93 C=C(F)C(=O)NC(C)C(C)C 11a_100000211541_100000036797 [0,1,0,0,0,1|2,0,0]=4 1408 B10R0.93 C=C(F)C(=O)NC(C)C(C)C 1626a_100000211541_100000036797 [0,1,0,0,0,1|2,0,0]=4 1409 B10R0.93 CC(=O)C(=O)CN(C)C(C)C 269982a_200000211004_100011261029 [0,1,0,0,0,1|2,0,0]=4 1410 B10R0.93 CC(C)C(C)NC(=O)C(=O)N 240690a_100000211541_100011215815 [0,1,0,0,0,1|1,0,0]=3 1411 B10R0.93 CC(C)C(C)NC(=O)C(O)O 240690a_100000211541_100000233687 [0,1,0,0,0,1|0,0,2]=4 1412 B10R0.93 CC(C)C(C)NC(=O)[C@@H](C)O 240690a_100000211541_100000717761 [0,1,0,0,0,1|1,0,1]=4 1413 B10R0.93 CC(C)C(C)NC(=O)[C@H](C)O 1626a_100000211541_217856618621 [0,1,0,0,0,1|1,0,1]=4 1414 B10R0.93 CC(C)C(C)NC(=O)[C@H](C)O 240690a_100000211541_217856618621 [0,1,0,0,0,1|1,0,1]=4 1415 B10R0.25 C#CCN(CC)C(=O)C(=O)N 240690a_100000744766_100011215815 [0,2,0,0,0,0|2,0,0]=4 1416 B10R0.25 C=C(C)C(=O)C(CC)CCC 1458a_100000185857_100011219200 [0,2,0,0,0,0|2,0,0]=4 1417 B10R0.25 CCCC(CC)C(=O)C(O)O 1458a_100000233687_100011219200 [0,2,0,0,0,0|0,0,2]=4 1418 B10R0.25 CCCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100011219200 [0,2,0,0,0,0|1,0,1]=4 1419 B10R0.25 CCCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100011219200 [0,2,0,0,0,0|1,0,1]=4 1420 B10R0.25 CCCN(CC)C(=O)C(=O)N 240690a_100000226822_100011215815 [0,2,0,0,0,0|2,0,0]=4 1421 B10R0.25 CCN(CCO)C(=O)C(=O)N 240690a_100000210973_100011215815 [0,2,0,0,0,0|2,0,0]=4 1422 B10R0.35 C#CCN(C)C(=O)C(=O)OC 11a_100000225692_100000024059 [0,2,0,0,0,0|1,0,1]=4 1423 B10R0.35 C#CCN(C)C(=O)C(=O)OC 1626a_100000225692_100000024059 [0,2,0,0,0,0|1,0,1]=4 1424 B10R0.35 C#CCN(C)C(=O)C(=O)OC 527a_100000225692_100000024059 [0,2,0,0,0,0|1,0,1]=4 1425 B10R0.35 C/C=C(\C)/C(=O)C(C)CCC 1458a_100020587367_100000766640 [0,2,0,0,0,0|2,0,0]=4 1426 B10R0.35 C/C=C(\C)/C(=O)C(C)CCO 1458a_100020587367_100009893172 [0,2,0,0,0,0|2,0,0]=4 1427 B10R0.35 C/C=C(\C)/C(=O)C(C)COC 1458a_100020587367_100000765312 [0,2,0,0,0,0|2,0,0]=4 1428 B10R0.35 C=CCN(C)C(=O)C(=O)OC 11a_100000225617_100000024059 [0,2,0,0,0,0|1,0,1]=4 1429 B10R0.35 C=CCN(C)C(=O)C(=O)OC 1626a_100000225617_100000024059 [0,2,0,0,0,0|1,0,1]=4 1430 B10R0.35 C=CCN(C)C(=O)C(=O)OC 240690a_100000225617_100000024059 [0,2,0,0,0,0|1,0,1]=4 1431 B10R0.35 C=CCN(C)C(=O)C(=O)OC 527a_100000225617_100000024059 [0,2,0,0,0,0|1,0,1]=4 1432 B10R0.35 CC(CCO)C(=O)C(O)CO 1458a_100011215603_100009893172 [0,2,0,0,0,0|0,0,2]=4 1433 B10R0.35 CC(CCO)N(C)C(=O)CO 240690a_100000731037_100000210174 [0,2,0,0,0,0|2,0,0]=4 1434 B10R0.35 CC(CCO)N(C)C(=O)CO 527a_100000731037_100000210174 [0,2,0,0,0,0|2,0,0]=4 1435 B10R0.35 CC/C=C(\C)/C(=O)C(C)CC 1458a_100016988807_100000758301 [0,2,0,0,0,0|2,0,0]=4 1436 B10R0.35 CCC(C)C(=O)/C(=N/OC)/C 1458a_100160996864_100000758301 [0,2,0,0,0,0|1,0,0]=3 1437 B10R0.35 CCC(C)C(=O)C(C)CCO 1458a_100011192722_100009893172 [0,2,0,0,0,0|1,0,1]=4 1438 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100000751857_100000758301 [0,2,0,0,0,0|1,0,1]=4 1439 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100011192722_100000765312 [0,2,0,0,0,0|1,0,1]=4 1440 B10R0.35 CCC(C)C(=O)N(C)CCO 240690a_100000210263_100011192722 [0,2,0,0,0,0|2,0,0]=4 1441 B10R0.35 CCC(C)C(=O)N(C)CCO 527a_100000210263_100011192722 [0,2,0,0,0,0|2,0,0]=4 1442 B10R0.35 CCC(C)N(C)C(=O)CCO 240690a_100000741768_100011216618 [0,2,0,0,0,0|2,0,0]=4 1443 B10R0.35 CCC(C)N(C)C(=O)COC 11a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 1444 B10R0.35 CCC(C)N(C)C(=O)COC 1626a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 1445 B10R0.35 CCC(C)N(C)C(=O)COC 240690a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 1446 B10R0.35 CCC(C)N(C)C(=O)COC 527a_100000741768_100000210968 [0,2,0,0,0,0|2,0,0]=4 1447 B10R0.35 CCC(O)C(=O)C(C)CCO 1458a_100011196387_100009893172 [0,2,0,0,0,0|1,0,1]=4 1448 B10R0.35 CCC(O)C(=O)C(C)COC 1458a_100011196387_100000765312 [0,2,0,0,0,0|1,0,1]=4 1449 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,2,0,0,0,0|1,0,0]=3 1450 B10R0.35 CCCC(C)C(=O)C(C)OC 1458a_100000743197_100000766640 [0,2,0,0,0,0|1,0,1]=4 1451 B10R0.35 CCCC(C)C(=O)C(O)CC 1458a_100011196387_100000766640 [0,2,0,0,0,0|1,0,1]=4 1452 B10R0.35 CCCC(C)C(=O)C(O)CO 1458a_100011215603_100000766640 [0,2,0,0,0,0|0,0,2]=4 1453 B10R0.35 CCCN(C)C(=O)C(=O)NC 1626a_100000747261_100011218921 [0,2,0,0,0,0|2,0,0]=4 1454 B10R0.35 CCCN(C)C(=O)C(=O)NC 240690a_100000747261_100011218921 [0,2,0,0,0,0|2,0,0]=4 1455 B10R0.35 CCCN(C)C(=O)C(=O)NC 527a_100000747261_100011218921 [0,2,0,0,0,0|2,0,0]=4 1456 B10R0.35 CCCN(C)C(=O)C(=O)OC 11a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 1457 B10R0.35 CCCN(C)C(=O)C(=O)OC 1626a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 1458 B10R0.35 CCCN(C)C(=O)C(=O)OC 240690a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 1459 B10R0.35 CCCN(C)C(=O)C(=O)OC 527a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 1460 B10R0.35 CCC[C@H](O)C(=O)C(C)CC 1458a_100009822183_100000758301 [0,2,0,0,0,0|1,0,1]=4 1461 B10R0.35 CCN(C)C(=O)/C(=N/OC)/C 11a_100000225621_100160996864 [0,2,0,0,0,0|2,0,0]=4 1462 B10R0.35 CCN(C)C(=O)/C(=N/OC)/C 240690a_100000225621_100160996864 [0,2,0,0,0,0|2,0,0]=4 1463 B10R0.35 CCNC(=O)C(=O)C(C)CC 1458a_200011297158_100000758301 [0,2,0,0,0,0|1,0,0]=3 1464 B10R0.35 CCNC(=O)C(=O)N(C)CC 1626a_100000225621_200011297158 [0,2,0,0,0,0|2,0,0]=4 1465 B10R0.35 CCNC(=O)C(=O)N(C)CC 240690a_100000225621_200011297158 [0,2,0,0,0,0|2,0,0]=4 1466 B10R0.35 CCNC(=O)C(=O)N(C)CC 527a_100000225621_200011297158 [0,2,0,0,0,0|2,0,0]=4 1467 B10R0.35 CCNC(C)C(=O)C(=O)OC 2230a_100015525214_100000692041 [0,2,0,0,0,0|0,0,0]=2 1468 B10R0.35 CCNC(C)C(=O)N(C)OC 269862a_100015525214_100000090643 [0,2,0,0,0,0|2,0,0]=4 1469 B10R0.35 CCOC(=O)C(=O)C(C)NC 2230a_106832991635_100010256902 [0,2,0,0,0,0|1,0,0]=3 1470 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_100010256902_200000210301 [0,2,0,0,0,0|1,0,0]=3 1471 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_200000210301_100010256902 [0,2,0,0,0,0|1,0,0]=3 1472 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_100010256902_200025704644 [0,2,0,0,0,0|1,0,0]=3 1473 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100010256902 [0,2,0,0,0,0|1,0,0]=3 1474 B10R0.35 CCOC(=O)C(=O)N(C)CC 11a_100000225621_100014798877 [0,2,0,0,0,0|1,0,0]=3 1475 B10R0.35 CCOC(=O)C(=O)N(C)CC 1626a_100000225621_100014798877 [0,2,0,0,0,0|1,0,0]=3 1476 B10R0.35 CCOC(=O)C(=O)N(C)CC 240690a_100000225621_100014798877 [0,2,0,0,0,0|1,0,0]=3 1477 B10R0.35 CCOC(C)C(=O)C(=O)OC 34a_100121572206_100000692041 [0,2,0,0,0,0|0,0,0]=2 1478 B10R0.35 CCOC(C)C(=O)C(C)CC 1458a_100000739345_100000758301 [0,2,0,0,0,0|1,0,1]=4 1479 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210202 [0,2,0,0,0,0|1,0,1]=4 1480 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000210202_100000692041 [0,2,0,0,0,0|0,0,0]=2 1481 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210202 [0,2,0,0,0,0|0,0,0]=2 1482 B10R0.35 CNC(=O)C(=O)C(C)CC#N 1458a_100011218921_100009813641 [0,2,0,0,0,0|1,0,1]=4 1483 B10R0.35 CNC(=O)C(=O)C(C)CCO 1458a_100011218921_100009893172 [0,2,0,0,0,0|1,0,0]=3 1484 B10R0.35 CNC(=O)C(=O)C(C)COC 1458a_100011218921_100000765312 [0,2,0,0,0,0|1,0,0]=3 1485 B10R0.35 CNC(=O)C(=O)N(C)CCO 240690a_100000210263_100011218921 [0,2,0,0,0,0|2,0,0]=4 1486 B10R0.35 CNC(=O)C(=O)N(C)CCO 527a_100000210263_100011218921 [0,2,0,0,0,0|2,0,0]=4 1487 B10R0.35 COC(=O)C(=O)C(C)SCF 62a_100000692041_100015361967 [0,2,0,0,0,0|1,0,0]=3 1488 B10R0.35 COC(=O)C(=O)C(C)SCF 62a_100015361967_100000692041 [0,2,0,0,0,0|1,0,0]=3 1489 B10R0.35 COC(=O)C(=O)N(C)CC#N 11a_100000748184_100000024059 [0,2,0,0,0,0|1,0,1]=4 1490 B10R0.35 COC(=O)C(=O)N(C)CC#N 1626a_100000748184_100000024059 [0,2,0,0,0,0|1,0,1]=4 1491 B10R0.35 COC(=O)C(=O)N(C)CCO 240690a_100000210263_100000024059 [0,2,0,0,0,0|1,0,0]=3 1492 B10R0.35 COC(=O)C(=O)N(C)CCO 527a_100000210263_100000024059 [0,2,0,0,0,0|1,0,0]=3 1493 B10R0.35 COC(C)C(=O)C(C)CCO 1458a_100000743197_100009893172 [0,2,0,0,0,0|1,0,1]=4 1494 B10R0.35 COCC(C)C(=O)C(C)OC 1458a_100000743197_100000765312 [0,2,0,0,0,0|1,0,1]=4 1495 B10R0.35 COCC(C)C(=O)C(O)CO 1458a_100011215603_100000765312 [0,2,0,0,0,0|0,0,2]=4 1496 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,2,0,0,0,0|2,0,0]=4 1497 B10R0.81 C=CCCN(C)C(=O)C(=O)N 240690a_100020639649_100011215815 [0,2,0,0,0,0|2,0,0]=4 1498 B10R0.81 CCCCC(C)C(=O)C(O)O 1458a_100000233687_200011215066 [0,2,0,0,0,0|0,0,2]=4 1499 B10R0.81 CCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011215066 [0,2,0,0,0,0|1,0,1]=4 1500 B10R0.81 CCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011215066 [0,2,0,0,0,0|1,0,1]=4 1501 B10R0.81 CCCCN(C)C(=O)C(=O)N 240690a_100000207549_100011215815 [0,2,0,0,0,0|2,0,0]=4 1502 B10R0.81 CN(CCC#N)C(=O)C(=O)N 240690a_100000184479_100011215815 [0,2,0,0,0,0|2,0,0]=4 1503 B10R0.81 CN(CCCO)C(=O)C(=O)N 240690a_100000213112_100011215815 [0,2,0,0,0,0|2,0,0]=4 1504 B10R0.81 COCCN(C)C(=O)C(=O)N 240690a_100000743101_100011215815 [0,2,0,0,0,0|2,0,0]=4 1505 B10R0.81 CSCCN(C)C(=O)C(=O)N 240690a_100000686725_100011215815 [0,2,0,0,0,0|2,0,0]=4 1506 B10R0.100 CC(CCO)C(=O)C(C)(C)O 1458a_100000242741_100009893172 [0,2,0,0,0,0|1,0,1]=4 1507 B10R0.100 CCCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000766640 [0,2,0,0,0,0|1,0,1]=4 1508 B10R0.100 COCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000765312 [0,2,0,0,0,0|1,0,1]=4 1509 B10R0.9 CCC(CC)C(=O)C(C)(C)O 1458a_100000242741_100000210505 [0,2,0,0,0,0|1,0,1]=4 1510 B10R0.39 CCC(C)(C)N(C)C(=O)CO 240690a_200000755171_100000210174 [0,2,0,0,0,0|2,0,0]=4 1511 B10R0.39 CCC(C)(C)N(C)C(=O)CO 527a_200000755171_100000210174 [0,2,0,0,0,0|2,0,0]=4 1512 B10R0.39 CCC(C)C(=O)C(C)(C)CO 1458a_100000749806_100000758301 [0,2,0,0,0,0|1,0,1]=4 1513 B10R0.39 CCC(C)C(=O)C(C)(C)OC 1458a_100000753492_100000758301 [0,2,0,0,0,0|1,0,1]=4 1514 B10R0.39 CCC(C)C(=O)C(C)(O)CC 1458a_100011219770_100000758301 [0,2,0,0,0,0|1,0,1]=4 1515 B10R0.154 CN(C(=O)C(=O)N)C(C)(C)C 240690a_100011215553_100011215815 [0,2,0,0,0,0|2,0,0]=4 1516 B10R0.38 C/C=C(\C)/C(=O)C(CC)CC 1458a_100020587367_100000210505 [0,2,0,0,0,0|2,0,0]=4 1517 B10R0.38 CCC(=O)C(=O)N(CC)CC 1458a_200000187824_100000210202 [0,2,0,0,0,0|2,0,0]=4 1518 B10R0.38 CCC(C)C(=O)C(CC)OC 1458a_100000747056_100000758301 [0,2,0,0,0,0|1,0,1]=4 1519 B10R0.38 CCC(C)C(=O)C(OC)OC 1458a_100000046285_100000758301 [0,2,0,0,0,0|0,0,2]=4 1520 B10R0.38 CCC(CC)C(=O)C(=O)NC 1458a_100011218921_100000210505 [0,2,0,0,0,0|1,0,0]=3 1521 B10R0.38 CCC(CC)C(=O)C(C)OC 1458a_100000743197_100000210505 [0,2,0,0,0,0|1,0,1]=4 1522 B10R0.38 CCC(CC)C(=O)C(O)CO 1458a_100011215603_100000210505 [0,2,0,0,0,0|0,0,2]=4 1523 B10R0.38 CCC(CC)N(C)C(=O)CO 240690a_100000737045_100000210174 [0,2,0,0,0,0|2,0,0]=4 1524 B10R0.38 CCC(CC)N(C)C(=O)CO 527a_100000737045_100000210174 [0,2,0,0,0,0|2,0,0]=4 1525 B10R0.38 CCC(O)C(=O)C(CC)CC 1458a_100011196387_100000210505 [0,2,0,0,0,0|1,0,1]=4 1526 B10R0.38 CCN(CC)C(=O)C(=O)CF 1458a_200000187824_100015361967 [0,2,0,0,0,0|2,0,0]=4 1527 B10R0.38 CCN(CC)C(=O)C(=O)NC 1626a_100000724800_100011218921 [0,2,0,0,0,0|2,0,0]=4 1528 B10R0.38 CCN(CC)C(=O)C(=O)NC 1626a_100102657272_200000187824 [0,2,0,0,0,0|2,0,0]=4 1529 B10R0.38 CCN(CC)C(=O)C(=O)NC 240690a_100000724800_100011218921 [0,2,0,0,0,0|2,0,0]=4 1530 B10R0.38 CCN(CC)C(=O)C(=O)NC 240690a_100102657272_200000187824 [0,2,0,0,0,0|2,0,0]=4 1531 B10R0.38 CCN(CC)C(=O)C(=O)NC 527a_100000724800_100011218921 [0,2,0,0,0,0|2,0,0]=4 1532 B10R0.38 CCN(CC)C(=O)C(=O)NC 527a_100102657272_200000187824 [0,2,0,0,0,0|2,0,0]=4 1533 B10R0.38 CCN(CC)C(=O)C(=O)OC 11a_100000724800_100000024059 [0,2,0,0,0,0|1,0,0]=3 1534 B10R0.38 CCN(CC)C(=O)C(=O)OC 1626a_100000724800_100000024059 [0,2,0,0,0,0|1,0,0]=3 1535 B10R0.38 CCN(CC)C(=O)C(=O)OC 240690a_100000724800_100000024059 [0,2,0,0,0,0|1,0,0]=3 1536 B10R0.38 CCN(CC)C(=O)C(=O)OC 527a_100000724800_100000024059 [0,2,0,0,0,0|1,0,0]=3 1537 B10R0.51 CCC(C)N(CC)C(=O)CO 240690a_100000732650_100000210174 [0,2,0,0,0,0|2,0,0]=4 1538 B10R0.51 CCC(C)N(CC)C(=O)CO 527a_100000732650_100000210174 [0,2,0,0,0,0|2,0,0]=4 1539 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [0,2,0,0,0,0|1,0,1]=4 1540 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [0,2,0,0,0,0|1,0,1]=4 1541 B10R0.76 CCN(C(=O)C(=O)N)C(C)C 240690a_100000223864_100011215815 [0,2,0,0,0,0|2,0,0]=4 1542 B10R0.118 CCC(C)C(C(=O)O)N(C)C 269956a_100000694001_200000210301 [0,2,0,0,0,0|1,0,1]=4 1543 B10R0.118 CCC(C)C(C(=O)O)N(C)[13CH3] 269956a_100000694001_200025704644 [0,2,0,0,0,0|1,0,1]=4 1544 B10R0.120 C=C(C)C(=O)C(C)(CC)CC 1458a_100000185857_100009817345 [0,2,0,0,0,0|2,0,0]=4 1545 B10R0.120 CCC(C)(CC)C(=O)C(O)O 1458a_100000233687_100009817345 [0,2,0,0,0,0|0,0,2]=4 1546 B10R0.120 CCC(C)(CC)C(=O)[C@@H](C)O 1458a_100000717761_100009817345 [0,2,0,0,0,0|1,0,1]=4 1547 B10R0.120 CCC(C)(CC)C(=O)[C@H](C)O 1458a_217856618621_100009817345 [0,2,0,0,0,0|1,0,1]=4 1548 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 1549 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 1550 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|2,0,0]=4 1551 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|2,0,0]=4 1552 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,1]=4 1553 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,1]=4 1554 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 1555 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 1556 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 1557 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,1]=4 1558 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,1]=4 1559 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|1,0,1]=4 1560 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,1]=4 1561 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,1]=4 1562 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 1563 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 1564 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 1565 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 1566 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|1,0,1]=4 1567 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,1]=4 1568 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [1,0,0,1,0,0|1,0,1]=4 1569 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [1,0,0,1,0,0|2,0,0]=4 1570 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [1,0,0,1,0,0|2,0,0]=4 1571 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [1,0,0,1,0,0|2,0,0]=4 1572 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [1,0,0,1,0,0|2,0,0]=4 1573 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [1,0,0,1,0,0|1,0,1]=4 1574 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,1]=4 1575 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,1]=4 1576 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|2,0,0]=4 1577 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|2,0,0]=4 1578 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|1,0,1]=4 1579 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [1,0,0,1,0,0|2,0,0]=4 1580 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [1,0,0,1,0,0|2,0,0]=4 1581 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [1,0,0,1,0,0|2,0,0]=4 1582 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [1,0,0,1,0,0|2,0,0]=4 1583 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [1,0,0,1,0,0|1,0,1]=4 1584 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|1,0,0]=3 1585 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [1,0,0,1,0,0|2,0,0]=4 1586 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [1,0,0,1,0,0|2,0,0]=4 1587 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|1,0,1]=4 1588 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|1,0,1]=4 1589 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|2,0,0]=4 1590 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|2,0,0]=4 1591 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|2,0,0]=4 1592 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|2,0,0]=4 1593 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|1,0,1]=4 1594 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|0,0,1]=3 1595 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [1,0,0,1,0,0|1,0,1]=4 1596 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [1,0,0,1,0,0|1,0,1]=4 1597 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [1,0,0,1,0,0|1,0,1]=4 1598 B8R1.39 CC1(CC1)C(=O)CF 1458a_100000756474_100015361967 [1,0,0,1,0,0|1,0,1]=4 1599 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [1,0,0,1,0,0|1,0,1]=4 1600 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [1,0,0,1,0,0|2,0,0]=4 1601 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [1,0,0,1,0,0|2,0,0]=4 1602 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [1,0,0,1,0,0|2,0,0]=4 1603 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [1,0,0,1,0,0|2,0,0]=4 1604 B10R1.14 CCC(C)c1noc(n1)C 270196a_100000752268_100000070787 [0,0,0,1,0,1|2,0,0]=4 1605 B10R1.14 CCC(C)c1noc(n1)O 270196a_100000752268_100015183105 [0,0,0,1,0,1|1,0,1]=4 1606 B10R1.25 CNC1CCC(=O)NC1=O 2230a_100000691121_200000210301 [0,0,0,1,0,1|2,0,0]=4 1607 B10R1.25 CNC1CCC(=O)NC1=O 2230a_106832991635_100000694648 [0,0,0,1,0,1|2,0,0]=4 1608 B10R1.25 CNC1CCC(=O)NC1=O 34a_100000691121_200000210301 [0,0,0,1,0,1|2,0,0]=4 1609 B10R1.25 CNC1CCC(=O)NC1=O 7a_106832991635_100000694648 [0,0,0,1,0,1|2,0,0]=4 1610 B10R1.25 CSC1CCC(=O)NC1=O 62a_100000694648_200000210301 [0,0,0,1,0,1|2,0,0]=4 1611 B10R1.25 CSC1CCC(=O)NC1=O 62a_200000210301_100000694648 [0,0,0,1,0,1|2,0,0]=4 1612 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 2230a_100000691121_200025704644 [0,0,0,1,0,1|2,0,0]=4 1613 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 34a_100000691121_200025704644 [0,0,0,1,0,1|2,0,0]=4 1614 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_100000694648_200025704644 [0,0,0,1,0,1|2,0,0]=4 1615 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_200025704644_100000694648 [0,0,0,1,0,1|2,0,0]=4 1616 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,0,0,1,0,1|2,0,0]=4 1617 B10R1.110 C=C(F)CC(=O)C1CC1C 1458a_100000211227_100009893438 [0,0,0,1,0,1|2,0,0]=4 1618 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,0,0,1,0,1|1,0,1]=4 1619 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,0,0,1,0,1|1,0,0]=3 1620 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,0,0,1,0,1|0,0,1]=3 1621 B10R1.110 CC1CC1C(=O)C[N+](=O)[O-] 1458a_100000211227_100000761209 [0,0,0,1,0,1|1,0,1]=4 1622 B10R1.110 NC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000187820 [0,0,0,1,0,1|2,0,0]=4 1623 B10R1.110 O=C([O-])CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100020667443 [0,0,0,1,0,1|1,0,1]=4 1624 B10R1.184 CCC(C)C(=O)CC1CO1 1458a_100011192722_100011216344 [0,0,0,1,0,1|1,0,1]=4 1625 B10R1.184 CCC(C)C(=O)C[C@@H]1CO1 1458a_100011192722_100000745022 [0,0,0,1,0,1|1,0,1]=4 1626 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [0,0,0,1,0,1|2,0,0]=4 1627 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [0,0,0,1,0,1|2,0,0]=4 1628 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [0,0,0,1,0,1|2,0,0]=4 1629 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [0,0,0,1,0,1|2,0,0]=4 1630 B10R1.266 C=C(F)CC(=O)C1CCC1 1458a_100000209988_100009893438 [0,0,0,1,0,1|2,0,0]=4 1631 B10R1.266 CC(=CC(=O)C1CCC1)C 1458a_100000211388_100000749161 [0,0,0,1,0,1|2,0,0]=4 1632 B10R1.266 CC(=CC(=O)C1CCC1)Cl 1458a_200042562850_100000749161 [0,0,0,1,0,1|2,0,0]=4 1633 B10R1.266 CC(=CC(=O)C1CCC1)I 1458a_100025716642_100000749161 [0,0,0,1,0,1|2,0,0]=4 1634 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,0,0,1,0,1|1,0,0]=3 1635 B10R1.266 CC(=O)CC(=O)N1CCC1 1458a_100000070787_100000185095 [0,0,0,1,0,1|2,0,0]=4 1636 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,0,0,1,0,1|1,0,1]=4 1637 B10R1.266 CN(CC(=O)O)C1CCC1 269956a_100000746989_100000749161 [0,0,0,1,0,1|2,0,0]=4 1638 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,0,0,1,0,1|1,0,1]=4 1639 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100000209988_100000187820 [0,0,0,1,0,1|1,0,0]=3 1640 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100134613110_100000749161 [0,0,0,1,0,1|1,0,0]=3 1641 B10R1.266 NC(=O)CC(=O)C1CCO1 1458a_100000089072_100000187820 [0,0,0,1,0,1|2,0,0]=4 1642 B10R1.266 NC(=O)CC(=O)C1COC1 1458a_100000758290_100000187820 [0,0,0,1,0,1|2,0,0]=4 1643 B10R1.266 NC(=O)CC(=O)C1COC1 1458a_100134613110_100000687716 [0,0,0,1,0,1|2,0,0]=4 1644 B10R1.266 NC(=O)CC(=O)N1CCC1 240690a_100000754969_100134613110 [0,0,0,1,0,1|2,0,0]=4 1645 B10R1.266 NC(=O)CC(=O)N1CCC1 527a_100000754969_100134613110 [0,0,0,1,0,1|2,0,0]=4 1646 B10R1.266 O=C(C=C(Cl)Cl)C1CCC1 1458a_100000137448_100000749161 [0,0,0,1,0,1|2,0,0]=4 1647 B10R1.266 O=C(C[N+](=O)[O-])C1CCC1 1458a_100000209988_100000761209 [0,0,0,1,0,1|1,0,1]=4 1648 B10R1.266 O=C([O-])CC(=O)C1CCC1 1458a_100000209988_100020667443 [0,0,0,1,0,1|0,0,1]=3 1649 B10R1.266 O=C([O-])CC(=O)C1CCO1 1458a_100000089072_100020667443 [0,0,0,1,0,1|1,0,1]=4 1650 B10R1.266 O=C([O-])CC(=O)C1COC1 1458a_100000758290_100020667443 [0,0,0,1,0,1|1,0,1]=4 1651 B10R1.267 C=C(C)CC(=O)C1(CC1)C 1458a_100000756474_100000748629 [0,0,0,1,0,1|2,0,0]=4 1652 B10R1.267 C=C(F)CC(=O)C1(CC1)C 1458a_100000756474_100009893438 [0,0,0,1,0,1|2,0,0]=4 1653 B10R1.267 CC(O)CC(=O)C1(CC1)C 1458a_100000756474_100011218427 [0,0,0,1,0,1|1,0,1]=4 1654 B10R1.267 CC1(CC1)C(=O)CC(=O)N 1458a_100000756474_100000187820 [0,0,0,1,0,1|1,0,0]=3 1655 B10R1.267 CC1(CC1)C(=O)CC(=O)[O-] 1458a_100000756474_100020667443 [0,0,0,1,0,1|0,0,1]=3 1656 B10R1.267 CC1(CC1)C(=O)C[N+](=O)[O-] 1458a_100000756474_100000761209 [0,0,0,1,0,1|1,0,1]=4 1657 B10R1.267 NC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000187820 [0,0,0,1,0,1|2,0,0]=4 1658 B10R1.267 NC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000187820 [0,0,0,1,0,1|2,0,0]=4 1659 B10R1.267 O=C([O-])CC(=O)C1(CC1)F 1458a_100000055089_100020667443 [0,0,0,1,0,1|1,0,1]=4 1660 B10R1.267 O=C([O-])CC(=O)C1(CC1)O 1458a_100000241761_100020667443 [0,0,0,1,0,1|1,0,1]=4 1661 B10R1.116 C=C(Br)C(=O)N1CCC1C 11a_100000755817_100009813364 [0,0,0,1,0,1|2,0,0]=4 1662 B10R1.116 C=C(C)C(=O)N1CCC1C 11a_100000755817_100000185857 [0,0,0,1,0,1|2,0,0]=4 1663 B10R1.116 C=C(Cl)C(=O)N1CCC1C 11a_100000755817_100000039160 [0,0,0,1,0,1|2,0,0]=4 1664 B10R1.116 C=C(F)C(=O)N1CCC1C 11a_100000755817_100000036797 [0,0,0,1,0,1|2,0,0]=4 1665 B10R1.116 CC1CCN1C(=O)C(=O)N 240690a_100000755817_100011215815 [0,0,0,1,0,1|1,0,0]=3 1666 B10R1.116 CC1CCN1C(=O)C(O)O 240690a_100000755817_100000233687 [0,0,0,1,0,1|0,0,2]=4 1667 B10R1.116 CC1CCN1C(=O)[C@@H](C)O 240690a_100000755817_100000717761 [0,0,0,1,0,1|1,0,1]=4 1668 B10R1.116 CC1CCN1C(=O)[C@H](C)O 240690a_100000755817_217856618621 [0,0,0,1,0,1|1,0,1]=4 1669 B10R1.134 CCC(C)CC(=O)C1CO1 1458a_100000701028_100000748023 [0,0,0,1,0,1|1,0,1]=4 1670 B10R1.134 CCC(C)NC(=O)C1CO1 11a_100000209981_100000701028 [0,0,0,1,0,1|1,0,1]=4 1671 B10R1.134 CCC(C)NC(=O)C1CO1 1626a_100000209981_100000701028 [0,0,0,1,0,1|1,0,1]=4 1672 B10R1.134 CCC(C)NC(=O)C1CO1 240690a_100000209981_100000701028 [0,0,0,1,0,1|1,0,1]=4 1673 B10R1.134 CCC(C)NC(=O)C1CO1 527a_100000209981_100000701028 [0,0,0,1,0,1|1,0,1]=4 1674 B10R1.134 CC[C@H](C)CC(=O)C1CO1 1458a_100000701028_100009816398 [0,0,0,1,0,1|1,0,1]=4 1675 B10R1.190 NC(=O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011215815 [0,0,0,1,0,1|2,0,0]=4 1676 B10R1.190 NC(=O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011215815 [0,0,0,1,0,1|2,0,0]=4 1677 B10R1.203 C=C(Br)C(=O)NC1(CC1)C 11a_100000757604_100009813364 [0,0,0,1,0,1|2,0,0]=4 1678 B10R1.203 C=C(Br)C(=O)NC1(CC1)C 1626a_100000757604_100009813364 [0,0,0,1,0,1|2,0,0]=4 1679 B10R1.203 C=C(C)C(=O)NC1(CC1)C 11a_100000757604_100000185857 [0,0,0,1,0,1|2,0,0]=4 1680 B10R1.203 C=C(C)C(=O)NC1(CC1)C 1626a_100000757604_100000185857 [0,0,0,1,0,1|2,0,0]=4 1681 B10R1.203 C=C(Cl)C(=O)NC1(CC1)C 11a_100000757604_100000039160 [0,0,0,1,0,1|2,0,0]=4 1682 B10R1.203 C=C(Cl)C(=O)NC1(CC1)C 1626a_100000757604_100000039160 [0,0,0,1,0,1|2,0,0]=4 1683 B10R1.203 C=C(F)C(=O)NC1(CC1)C 11a_100000757604_100000036797 [0,0,0,1,0,1|2,0,0]=4 1684 B10R1.203 C=C(F)C(=O)NC1(CC1)C 1626a_100000757604_100000036797 [0,0,0,1,0,1|2,0,0]=4 1685 B10R1.203 CC1(CC1)NC(=O)C(=O)N 240690a_100000757604_100011215815 [0,0,0,1,0,1|1,0,0]=3 1686 B10R1.203 CC1(CC1)NC(=O)C(O)O 240690a_100000757604_100000233687 [0,0,0,1,0,1|0,0,2]=4 1687 B10R1.203 C[C@@H](O)C(=O)NC1(CC1)C 240690a_100000757604_100000717761 [0,0,0,1,0,1|1,0,1]=4 1688 B10R1.203 C[C@H](O)C(=O)NC1(CC1)C 1626a_100000757604_217856618621 [0,0,0,1,0,1|1,0,1]=4 1689 B10R1.203 C[C@H](O)C(=O)NC1(CC1)C 240690a_100000757604_217856618621 [0,0,0,1,0,1|1,0,1]=4 1690 B10R1.204 C=C(Br)C(=O)NC1CCC1 11a_100000749019_100009813364 [0,0,0,1,0,1|2,0,0]=4 1691 B10R1.204 C=C(Br)C(=O)NC1CCC1 1626a_100000749019_100009813364 [0,0,0,1,0,1|2,0,0]=4 1692 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,0,0,1,0,1|2,0,0]=4 1693 B10R1.204 C=C(C)C(=O)NC1CCC1 11a_100000749019_100000185857 [0,0,0,1,0,1|2,0,0]=4 1694 B10R1.204 C=C(C)C(=O)NC1CCC1 1626a_100000749019_100000185857 [0,0,0,1,0,1|2,0,0]=4 1695 B10R1.204 C=C(Cl)C(=O)NC1CCC1 11a_100000749019_100000039160 [0,0,0,1,0,1|2,0,0]=4 1696 B10R1.204 C=C(Cl)C(=O)NC1CCC1 1626a_100000749019_100000039160 [0,0,0,1,0,1|2,0,0]=4 1697 B10R1.204 C=C(F)C(=O)NC1CCC1 11a_100000749019_100000036797 [0,0,0,1,0,1|2,0,0]=4 1698 B10R1.204 C=C(F)C(=O)NC1CCC1 1626a_100000749019_100000036797 [0,0,0,1,0,1|2,0,0]=4 1699 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,0,0,1,0,1|2,0,0]=4 1700 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,0,0,1,0,1|1,0,1]=4 1701 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 240690a_100000749019_100000717761 [0,0,0,1,0,1|1,0,1]=4 1702 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,0,0,1,0,1|1,0,1]=4 1703 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,0,0,1,0,1|1,0,1]=4 1704 B10R1.204 C[C@H](O)C(=O)NC1CCC1 1626a_100000749019_217856618621 [0,0,0,1,0,1|1,0,1]=4 1705 B10R1.204 C[C@H](O)C(=O)NC1CCC1 240690a_100000749019_217856618621 [0,0,0,1,0,1|1,0,1]=4 1706 B10R1.204 NC(=O)C(=O)NC1CCC1 240690a_100000749019_100011215815 [0,0,0,1,0,1|1,0,0]=3 1707 B10R1.204 NC(=O)C(=O)NC1COC1 240690a_100016991112_100011215815 [0,0,0,1,0,1|2,0,0]=4 1708 B10R1.204 NC(=O)C(=O)NC1CSC1 240690a_100016994217_100011215815 [0,0,0,1,0,1|2,0,0]=4 1709 B10R1.204 O=C(CC1CCC1)C(O)O 1458a_100000233687_100000763275 [0,0,0,1,0,1|0,0,2]=4 1710 B10R1.204 O=C(NC1CCC1)C(O)O 240690a_100000749019_100000233687 [0,0,0,1,0,1|0,0,2]=4 1711 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,1,0,0|2,0,0]=4 1712 B10R1.23 C=C(C)C(=O)C1CCOC1 1458a_100000185857_100000690089 [0,1,0,1,0,0|2,0,0]=4 1713 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,1,0,0|1,0,1]=4 1714 B10R1.23 C[C@@H](O)C(=O)C1CCOC1 1458a_100000717761_100000690089 [0,1,0,1,0,0|1,0,1]=4 1715 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,1,0,0|1,0,1]=4 1716 B10R1.23 C[C@H](O)C(=O)C1CCOC1 1458a_217856618621_100000690089 [0,1,0,1,0,0|1,0,1]=4 1717 B10R1.23 NC(=O)C(=O)N1CCCC1 240690a_100000188435_100011215815 [0,1,0,1,0,0|2,0,0]=4 1718 B10R1.23 NC(=O)C(=O)N1CCSC1 240690a_100011215254_100011215815 [0,1,0,1,0,0|2,0,0]=4 1719 B10R1.23 O=C(C(O)O)C1CCCC1 1458a_100000233687_100000179811 [0,1,0,1,0,0|0,0,2]=4 1720 B10R1.23 O=C(C(O)O)C1CCOC1 1458a_100000233687_100000690089 [0,1,0,1,0,0|0,0,2]=4 1721 B10R1.81 CC1CN(C1)C(=O)C(=O)N 240690a_100000702820_100011215815 [0,1,0,1,0,0|2,0,0]=4 1722 B10R1.81 NC(=O)C(=O)N1CC(C1)F 240690a_100000690557_100011215815 [0,1,0,1,0,0|2,0,0]=4 1723 B10R1.81 NC(=O)C(=O)N1CC(C1)O 240690a_100000749847_100011215815 [0,1,0,1,0,0|2,0,0]=4 1724 B10R1.212 CC(CCO)C(=O)C1CO1 1458a_100000701028_100009893172 [0,1,0,1,0,0|1,0,1]=4 1725 B10R1.212 CCCC(C)C(=O)C1CO1 1458a_100000701028_100000766640 [0,1,0,1,0,0|1,0,1]=4 1726 B10R1.212 COCC(C)C(=O)C1CO1 1458a_100000701028_100000765312 [0,1,0,1,0,0|1,0,1]=4 1727 B10R1.278 CN(C(=O)C(=O)N)C1CC1 240690a_100000226674_100011215815 [0,1,0,1,0,0|2,0,0]=4 1728 B10R1.183 CCC(C)C(=O)C1(CC1)O 1458a_100000241761_100000758301 [0,1,0,1,0,0|1,0,1]=4 1729 B10R1.274 CC(C)(O)C(=O)C1CCC1 1458a_100000242741_100000749161 [0,1,0,1,0,0|1,0,1]=4 1730 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|2,0,0]=4 1731 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|2,0,0]=4 1732 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|2,0,0]=4 1733 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|2,0,0]=4 1734 B10R1.182 C/C=C(\C)/C(=O)C1CCC1 1458a_100020587367_100000749161 [0,1,0,1,0,0|2,0,0]=4 1735 B10R1.182 CCC(C)C(=O)C1CCO1 1458a_100000089072_100000758301 [0,1,0,1,0,0|1,0,1]=4 1736 B10R1.182 CCC(C)C(=O)C1COC1 1458a_100000758290_100000758301 [0,1,0,1,0,0|1,0,1]=4 1737 B10R1.182 CCC(C)C(=O)C1COC1 1458a_100011192722_100000687716 [0,1,0,1,0,0|1,0,1]=4 1738 B10R1.182 CCC(O)C(=O)C1CCC1 1458a_100011196387_100000749161 [0,1,0,1,0,0|1,0,1]=4 1739 B10R1.182 CN(C(=O)CO)C1CCC1 240690a_100000758072_100000210174 [0,1,0,1,0,0|2,0,0]=4 1740 B10R1.182 CN(C(=O)CO)C1CCC1 527a_100000758072_100000210174 [0,1,0,1,0,0|2,0,0]=4 1741 B10R1.182 CNC(=O)C(=O)C1CCC1 1458a_100011218921_100000749161 [0,1,0,1,0,0|1,0,0]=3 1742 B10R1.182 CNC(=O)C(=O)C1COC1 1458a_100011218921_100000687716 [0,1,0,1,0,0|2,0,0]=4 1743 B10R1.182 CNC(=O)C(=O)N1CCC1 240690a_100000754969_100011218921 [0,1,0,1,0,0|2,0,0]=4 1744 B10R1.182 CNC(=O)C(=O)N1CCC1 527a_100000754969_100011218921 [0,1,0,1,0,0|2,0,0]=4 1745 B10R1.182 COC(=O)C(=O)N1CCC1 11a_100000754969_100000024059 [0,1,0,1,0,0|1,0,0]=3 1746 B10R1.182 COC(=O)C(=O)N1CCC1 240690a_100000754969_100000024059 [0,1,0,1,0,0|1,0,0]=3 1747 B10R1.182 COC(=O)C(=O)N1CCC1 527a_100000754969_100000024059 [0,1,0,1,0,0|1,0,0]=3 1748 B10R1.182 COC(C)C(=O)C1CCC1 1458a_100000743197_100000749161 [0,1,0,1,0,0|1,0,1]=4 1749 B10R1.182 O=C(C(O)CO)C1CCC1 1458a_100011215603_100000749161 [0,1,0,1,0,0|0,0,2]=4 1750 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [0,1,0,1,0,0|1,0,1]=4 1751 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [0,1,0,1,0,0|1,0,1]=4 1752 B10R1.222 CCC(CC)C(=O)C1CO1 1458a_100000701028_100000210505 [0,1,0,1,0,0|1,0,1]=4 1753 B10R2.406 O=C(C1CCC1)C2CO2 1458a_100000701028_100000749161 [0,0,0,2,0,0|1,0,1]=4 1754 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,0,0,0,1|1,0,1]=4 1755 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,0,0,0,1|1,0,1]=4 1756 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,0,0,0,0,1|1,0,1]=4 1757 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,0,0,0,0,1|1,0,1]=4 1758 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,0,0,0,0,1|1,0,1]=4 1759 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,0,0,0,0,1|1,0,1]=4 1760 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [1,0,0,0,0,1|1,0,1]=4 1761 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [1,0,0,0,0,1|1,0,1]=4 1762 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,0,0,0,0,1|0,0,1]=3 1763 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [1,0,0,0,0,1|2,0,0]=4 1764 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,0,0,0,0,1|1,0,1]=4 1765 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [1,0,0,0,0,1|1,0,1]=4 1766 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [1,0,0,0,0,1|1,0,1]=4 1767 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [1,0,0,0,0,1|1,0,1]=4 1768 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [1,0,0,0,0,1|0,0,2]=4 1769 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [1,0,0,0,0,1|0,0,2]=4 1770 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,0,0,0,0,1|1,0,1]=4 1771 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,0,0,0,0,1|1,0,1]=4 1772 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,0,0,0,0,2|2,0,0]=4 1773 B10R0.44 C=C(F)CC(=O)CC(C)CC 1458a_100000708755_100009893438 [0,0,0,0,0,2|2,0,0]=4 1774 B10R0.44 CCC(=CC(=O)CC(=O)N)C 1458a_100020758463_100000187820 [0,0,0,0,0,2|1,0,1]=4 1775 B10R0.44 CCC(=CC(=O)CC(=O)[O-])C 1458a_100020758463_100020667443 [0,0,0,0,0,2|0,0,2]=4 1776 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,0,0,0,0,2|2,0,0]=4 1777 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,0,0,0,0,2|2,0,0]=4 1778 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,0,0,0,0,2|2,0,0]=4 1779 B10R0.44 CCC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000748023 [0,0,0,0,0,2|2,0,0]=4 1780 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,0,0,0,0,2|1,0,0]=3 1781 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,0,0,0,0,2|1,0,0]=3 1782 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,0,0,0,0,2|0,0,1]=3 1783 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,0,0,0,0,2|1,0,1]=4 1784 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,0,0,0,0,2|1,0,1]=4 1785 B10R0.44 CCC(C)CC(=O)C[N+](=O)[O-] 1458a_100000708755_100000761209 [0,0,0,0,0,2|1,0,1]=4 1786 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,0,0,0,0,2|2,0,0]=4 1787 B10R0.44 CCC(C)NC(=O)C=C(C)C 11a_100000209981_100000211388 [0,0,0,0,0,2|2,0,0]=4 1788 B10R0.44 CCC(C)NC(=O)C=C(C)C 1626a_100000209981_100000211388 [0,0,0,0,0,2|2,0,0]=4 1789 B10R0.44 CCC(C)NC(=O)C=C(C)C 240690a_100000209981_100000211388 [0,0,0,0,0,2|2,0,0]=4 1790 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 11a_100000209981_200042562850 [0,0,0,0,0,2|2,0,0]=4 1791 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 1626a_100000209981_200042562850 [0,0,0,0,0,2|2,0,0]=4 1792 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 240690a_100000209981_200042562850 [0,0,0,0,0,2|2,0,0]=4 1793 B10R0.44 CCC(C)NC(=O)C=C(C)I 11a_100000209981_100025716642 [0,0,0,0,0,2|2,0,0]=4 1794 B10R0.44 CCC(C)NC(=O)C=C(C)I 1626a_100000209981_100025716642 [0,0,0,0,0,2|2,0,0]=4 1795 B10R0.44 CCC(C)NC(=O)C=C(Cl)Cl 1626a_100000209981_100000137448 [0,0,0,0,0,2|2,0,0]=4 1796 B10R0.44 CCC(C)NC(=O)C=C(Cl)Cl 240690a_100000209981_100000137448 [0,0,0,0,0,2|2,0,0]=4 1797 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,0,0,0,0,2|1,0,0]=3 1798 B10R0.44 CCC(C)NC(=O)CC(=O)N 240690a_100000209981_100134613110 [0,0,0,0,0,2|1,0,0]=3 1799 B10R0.44 CCC(C)NC(=O)CC(=O)N 527a_100000209981_100134613110 [0,0,0,0,0,2|1,0,0]=3 1800 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [0,0,0,0,0,2|1,0,1]=4 1801 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [0,0,0,0,0,2|2,0,0]=4 1802 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [0,0,0,0,0,2|2,0,0]=4 1803 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [0,0,0,0,0,2|1,0,1]=4 1804 B10R0.44 CCN(C)CC(=O)CC(=O)N 1458a_100116209913_100000187820 [0,0,0,0,0,2|2,0,0]=4 1805 B10R0.44 CCN(C)CC(=O)CC(=O)[O-] 1458a_100116209913_100020667443 [0,0,0,0,0,2|1,0,1]=4 1806 B10R0.44 CCN(C)CC(=O)NC(=O)C 269982a_100000225621_100000183797 [0,0,0,0,0,2|2,0,0]=4 1807 B10R0.44 CCN(C)CC(=O)NC(=O)N 2230a_100000225621_100000182717 [0,0,0,0,0,2|2,0,0]=4 1808 B10R0.44 CCN(C)CC(=O)NC(=O)N 269982a_100000225621_100000182717 [0,0,0,0,0,2|2,0,0]=4 1809 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,0,0,0,0,2|2,0,0]=4 1810 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,0,0,0,0,2|2,0,0]=4 1811 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,0,0,0,0,2|2,0,0]=4 1812 B10R0.44 CC[C@H](C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100009816398 [0,0,0,0,0,2|2,0,0]=4 1813 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,0,0,0,0,2|1,0,0]=3 1814 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,0,0,0,0,2|1,0,1]=4 1815 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,0,0,0,0,2|2,0,0]=4 1816 B10R0.44 C[C@@H](CO)CC(=O)CC(=O)N 1458a_100134613110_100000059175 [0,0,0,0,0,2|2,0,0]=4 1817 B10R0.44 C[C@H](CF)NC(=O)CC(=O)N 240690a_100102880703_100134613110 [0,0,0,0,0,2|2,0,0]=4 1818 B10R0.44 C[C@H](CF)NC(=O)CC(=O)N 527a_100102880703_100134613110 [0,0,0,0,0,2|2,0,0]=4 1819 B10R0.44 C[C@H](CO)NC(=O)CC(=O)N 240690a_100000737577_100134613110 [0,0,0,0,0,2|2,0,0]=4 1820 B10R0.44 C[C@H](CO)NC(=O)CC(=O)N 527a_100000737577_100134613110 [0,0,0,0,0,2|2,0,0]=4 1821 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,0,0,0,0,2|2,0,0]=4 1822 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,0,0,0,0,2|2,0,0]=4 1823 B10R0.57 C=C(C)CNC(=O)C(C)CC 11a_100000765925_100011192722 [0,0,0,0,0,2|2,0,0]=4 1824 B10R0.57 C=C(C)CNC(=O)C(C)CC 1626a_100000765925_100011192722 [0,0,0,0,0,2|2,0,0]=4 1825 B10R0.57 C=C(C)CNC(=O)C(C)CC 240690a_100000765925_100011192722 [0,0,0,0,0,2|2,0,0]=4 1826 B10R0.57 C=C(C)CNC(=O)C(C)CC 527a_100000765925_100011192722 [0,0,0,0,0,2|2,0,0]=4 1827 B10R0.57 CCC(C)C(=NNC(=O)C)C 4a_100000189765_100000210599 [0,0,0,0,0,2|2,0,0]=4 1828 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [0,0,0,0,0,2|2,0,0]=4 1829 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [0,0,0,0,0,2|2,0,0]=4 1830 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,0,0,0,0,2|1,0,0]=3 1831 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,0,0,0,0,2|1,0,1]=4 1832 B10R0.57 CCC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000758301 [0,0,0,0,0,2|1,0,1]=4 1833 B10R0.57 CCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000758301 [0,0,0,0,0,2|1,0,0]=3 1834 B10R0.57 CCC(C)C(=O)CNC(=O)N 1458a_100000184981_100000758301 [0,0,0,0,0,2|1,0,0]=3 1835 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,0,0,0,0,2|1,0,0]=3 1836 B10R0.57 CCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000758301 [0,0,0,0,0,2|1,0,0]=3 1837 B10R0.57 CCC(C)C(=O)NCC(=O)C 1458a_100000743532_200000210301 [0,0,0,0,0,2|1,0,0]=3 1838 B10R0.57 CCC(C)C(=O)NCC(=O)N 11a_100000711301_100011192722 [0,0,0,0,0,2|1,0,0]=3 1839 B10R0.57 CCC(C)C(=O)NCC(=O)N 240690a_100000711301_100011192722 [0,0,0,0,0,2|1,0,0]=3 1840 B10R0.57 CCC(C)C(=O)NCC(=O)N 527a_100000711301_100011192722 [0,0,0,0,0,2|1,0,0]=3 1841 B10R0.57 CCC(C)C(=O)NCC(=O)[13CH3] 1458a_100000743532_200025704644 [0,0,0,0,0,2|1,0,0]=3 1842 B10R0.57 CCC(C)C(=O)NCC(C)O 11a_100000210904_100011192722 [0,0,0,0,0,2|1,0,1]=4 1843 B10R0.57 CCC(C)C(=O)NCC(C)O 240690a_100000210904_100011192722 [0,0,0,0,0,2|1,0,1]=4 1844 B10R0.57 CCC(C)C(=O)NCC(C)O 527a_100000210904_100011192722 [0,0,0,0,0,2|1,0,1]=4 1845 B10R0.57 CCC(C)C(=O)NNC(=O)C 22a_100000189765_100011192722 [0,0,0,0,0,2|1,0,0]=3 1846 B10R0.57 CCC(C)C(=O)NNC(=O)C 22a_100000740736_100000070787 [0,0,0,0,0,2|1,0,0]=3 1847 B10R0.57 CCC(O)C(=O)NCC(=O)N 240690a_100000711301_100011196387 [0,0,0,0,0,2|2,0,0]=4 1848 B10R0.57 CCC(O)C(=O)NNC(=O)C 22a_100000189765_100011196387 [0,0,0,0,0,2|2,0,0]=4 1849 B10R0.57 CCN(C)C(=O)CCC(=O)N 240690a_100000225621_100011215257 [0,0,0,0,0,2|2,0,0]=4 1850 B10R0.57 CCN(C)C(=O)CCC(=O)N 527a_100000225621_100011215257 [0,0,0,0,0,2|2,0,0]=4 1851 B10R0.57 CCN(C)C(=O)CNC(=O)C 11a_100000225621_100000194580 [0,0,0,0,0,2|2,0,0]=4 1852 B10R0.57 CCN(C)C(=O)CNC(=O)C 1626a_100000225621_100000194580 [0,0,0,0,0,2|2,0,0]=4 1853 B10R0.57 CCN(C)C(=O)CNC(=O)C 240690a_100000225621_100000194580 [0,0,0,0,0,2|2,0,0]=4 1854 B10R0.57 CCN(C)C(=O)CNC(=O)C 527a_100000225621_100000194580 [0,0,0,0,0,2|2,0,0]=4 1855 B10R0.57 CCN(C)C(=O)CNC(=O)N 240690a_100000225621_100000184981 [0,0,0,0,0,2|2,0,0]=4 1856 B10R0.57 CCN(C)C(=O)CNC(=O)N 527a_100000225621_100000184981 [0,0,0,0,0,2|2,0,0]=4 1857 B10R0.57 CCN(C)C(=O)COC(=O)C 1626a_100000225621_100000183556 [0,0,0,0,0,2|2,0,0]=4 1858 B10R0.57 CCN(C)C(=O)COC(=O)C 240690a_100000225621_100000183556 [0,0,0,0,0,2|2,0,0]=4 1859 B10R0.57 CCN(C)C(=O)COC(=O)C 527a_100000225621_100000183556 [0,0,0,0,0,2|2,0,0]=4 1860 B10R0.57 CCN(C)C(=O)CSC(=O)C 11a_100000225621_100000049016 [0,0,0,0,0,2|2,0,0]=4 1861 B10R0.57 CCN(C)C(=O)CSC(=O)C 1626a_100000225621_100000049016 [0,0,0,0,0,2|2,0,0]=4 1862 B10R0.57 CCN(C)C(=O)CSC(=O)C 240690a_100000225621_100000049016 [0,0,0,0,0,2|2,0,0]=4 1863 B10R0.57 CCN(C)C(=O)CSC(=O)N 240690a_100000225621_200015941356 [0,0,0,0,0,2|2,0,0]=4 1864 B10R0.57 CCN(C)C(=O)NCC(=O)N 273464a_100000711301_100000225621 [0,0,0,0,0,2|2,0,0]=4 1865 B10R0.57 CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_200000210301 [0,0,0,0,0,2|1,0,0]=3 1866 B10R0.57 COC(C)C(=O)NCC(=O)N 11a_100000711301_100000743197 [0,0,0,0,0,2|2,0,0]=4 1867 B10R0.57 COC(C)C(=O)NCC(=O)N 240690a_100000711301_100000743197 [0,0,0,0,0,2|2,0,0]=4 1868 B10R0.57 COC(C)C(=O)NCC(=O)N 527a_100000711301_100000743197 [0,0,0,0,0,2|2,0,0]=4 1869 B10R0.57 COC(C)C(=O)NNC(=O)C 22a_100000189765_100000743197 [0,0,0,0,0,2|2,0,0]=4 1870 B10R0.57 COC(C)C(=O)NNC(=O)C 22a_100000243824_100000070787 [0,0,0,0,0,2|2,0,0]=4 1871 B10R0.57 CSC(C)C(=O)NCC(=O)N 11a_100000711301_100000149566 [0,0,0,0,0,2|2,0,0]=4 1872 B10R0.57 CSC(C)C(=O)NCC(=O)N 240690a_100000711301_100000149566 [0,0,0,0,0,2|2,0,0]=4 1873 B10R0.57 CSC(C)C(=O)NCC(=O)N 527a_100000711301_100000149566 [0,0,0,0,0,2|2,0,0]=4 1874 B10R0.57 CSC(C)C(=O)NNC(=O)C 22a_100000189765_100000149566 [0,0,0,0,0,2|2,0,0]=4 1875 B10R0.57 C[C@H](N[13CH3])C(=O)NCC(=O)O 269956a_200011416764_200025704644 [0,0,0,0,0,2|1,0,0]=3 1876 B10R0.82 C=C(Br)C(=O)NCC(C)CC 11a_100020588543_100009813364 [0,0,0,0,0,2|2,0,0]=4 1877 B10R0.82 C=C(Br)C(=O)NCC(C)CC 1626a_100020588543_100009813364 [0,0,0,0,0,2|2,0,0]=4 1878 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,0,0,0,0,2|2,0,0]=4 1879 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,0,0,0,0,2|2,0,0]=4 1880 B10R0.82 C=C(C)C(=O)NNC(C)CC 22a_100000718999_100000185857 [0,0,0,0,0,2|2,0,0]=4 1881 B10R0.82 C=C(Cl)C(=O)NCC(C)CC 11a_100020588543_100000039160 [0,0,0,0,0,2|2,0,0]=4 1882 B10R0.82 C=C(Cl)C(=O)NCC(C)CC 1626a_100020588543_100000039160 [0,0,0,0,0,2|2,0,0]=4 1883 B10R0.82 C=C(Cl)C(=O)NNC(C)CC 22a_100000718999_100000039160 [0,0,0,0,0,2|2,0,0]=4 1884 B10R0.82 C=C(F)C(=O)NCC(C)CC 11a_100020588543_100000036797 [0,0,0,0,0,2|2,0,0]=4 1885 B10R0.82 C=C(F)C(=O)NCC(C)CC 1626a_100020588543_100000036797 [0,0,0,0,0,2|2,0,0]=4 1886 B10R0.82 C=C(F)C(=O)NNC(C)CC 22a_100000718999_100000036797 [0,0,0,0,0,2|2,0,0]=4 1887 B10R0.82 CC(=O)C(=O)COC(C)CF 34a_100016041109_100011261029 [0,0,0,0,0,2|2,0,0]=4 1888 B10R0.82 CC(=O)C(=O)COC(C)CN 34a_100000210904_100011261029 [0,0,0,0,0,2|2,0,0]=4 1889 B10R0.82 CC(=O)C(=O)CSC(C)CO 62a_100012180447_100011261029 [0,0,0,0,0,2|2,0,0]=4 1890 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100011261029_100016084084 [0,0,0,0,0,2|2,0,0]=4 1891 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100016084084_100011261029 [0,0,0,0,0,2|2,0,0]=4 1892 B10R0.82 CC(CO)CNC(=O)C(=O)N 240690a_100000744482_100011215815 [0,0,0,0,0,2|2,0,0]=4 1893 B10R0.82 CCC(C)CNC(=O)C(=O)N 240690a_100020588543_100011215815 [0,0,0,0,0,2|1,0,0]=3 1894 B10R0.82 CCC(C)CNC(=O)C(O)O 240690a_100020588543_100000233687 [0,0,0,0,0,2|0,0,2]=4 1895 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,0,0,0,0,2|1,0,1]=4 1896 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,0,0,0,0,2|1,0,1]=4 1897 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,0,0,0,0,2|1,0,1]=4 1898 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,0,0,0,0,2|1,0,1]=4 1899 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,0,0,0,0,2|1,0,1]=4 1900 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,0,0,0,0,2|1,0,1]=4 1901 B10R0.82 CCC(C)NNC(=O)C(=O)N 22a_100000718999_100011215815 [0,0,0,0,0,2|1,0,0]=3 1902 B10R0.82 CCC(C)NNC(=O)C(O)O 22a_100000718999_100000233687 [0,0,0,0,0,2|0,0,2]=4 1903 B10R0.82 CCC(C)NNC(=O)[C@@H](C)O 22a_100000718999_100000717761 [0,0,0,0,0,2|1,0,1]=4 1904 B10R0.82 CCC(C)NNC(=O)[C@H](C)O 22a_100000718999_217856618621 [0,0,0,0,0,2|1,0,1]=4 1905 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,0,0,0,0,2|1,0,0]=3 1906 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,0,0,0,0,2|1,0,0]=3 1907 B10R0.82 CCC(O)CNC(=O)C(=O)N 240690a_100011218483_100011215815 [0,0,0,0,0,2|2,0,0]=4 1908 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,0,0,0,0,2|1,0,1]=4 1909 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100009879195_100011261029 [0,0,0,0,0,2|2,0,0]=4 1910 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100011261029_100009879195 [0,0,0,0,0,2|2,0,0]=4 1911 B10R0.82 CO[C@H](C)CNC(=O)C(=O)N 240690a_100020591295_100011215815 [0,0,0,0,0,2|2,0,0]=4