0 B9R0.6 C#CCC(=O)C(C)C(C)C 1458a_100000755409_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.6 C=CCC(=O)C(C)C(C)C 1458a_100000755409_100000210623 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.6 CC#CC(=O)C(C)C(=O)C 1458a_100000763181_100000179758 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.6 CC(C)C(C)C(=O)CC#N 1458a_100000755409_100011214920 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.6 CC(C)N(C)C(=O)CCO 240690a_200000211004_100011216618 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_100000230190_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_200025704644_100000230190 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,0,0,0,0,0|1,0,3]=4 13 B9R0.6 CC=CC(=O)N(C)C(C)C 11a_200000211004_100000210699 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.6 CC=CC(=O)N(C)C(C)C 1626a_200000211004_100000210699 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.6 CC=CC(=O)N(C)C(C)C 240690a_200000211004_100000210699 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,0,0,0,0,0|3,0,0]=3 25 B9R0.6 CCCN(C)C(C)C(C)C 2230a_100000228512_100000210303 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.6 CCCN(C)C(C)C(C)C 2230a_200015185082_200000210301 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.6 CCCN(C)C(C)C(C)C 269982a_100000228512_100000210303 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.6 CCCN(C)C(C)C(C)C 269982a_200015185082_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.6 CCCN([13CH3])C(C)C(C)C 2230a_200015185082_200025704644 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.6 CCCN([13CH3])C(C)C(C)C 269982a_200015185082_200025704644 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,0,0,0,0,0|1,0,2]=3 33 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,0,0,0,0,0|2,0,0]=2 34 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,0,0,0,0,0|2,0,0]=2 35 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,0,0,0,0,0|2,0,0]=2 36 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [0,0,0,0,0,0|3,0,0]=3 38 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [0,0,0,0,0,0|3,0,0]=3 39 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [0,0,0,0,0,0|3,0,0]=3 40 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,0,0,0,0,0|3,0,0]=3 43 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,0,0,0,0,0|3,0,1]=4 46 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,0,0,0,0,0|0,0,2]=2 47 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,0,0,0,0,0|0,0,2]=2 48 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,0,0,0,0,0|0,0,2]=2 49 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,0,0,0,0,0|2,0,0]=2 50 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,0,0,0,0,0|2,0,0]=2 51 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,0,0,0,0,0|1,0,2]=3 52 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,0,0,0,0,0|3,0,0]=3 53 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,0,0,0,0,0|3,0,0]=3 54 B9R0.6 CNCC(=O)N(C)C(C)C 2230a_106832991635_100000230190 [0,0,0,0,0,0|4,0,0]=4 55 B9R0.6 CNCC(=O)N(C)C(C)C 34a_100102657272_100000230190 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.6 CNCC(=O)N(C)C(C)C 7a_106832991635_100000230190 [0,0,0,0,0,0|4,0,0]=4 57 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [0,0,0,0,0,0|3,0,0]=3 58 B9R0.6 CNNC(=O)[C@H](C)N(C)C 22a_100016993582_100009822176 [0,0,0,0,0,0|4,0,0]=4 59 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [0,0,0,0,0,0|4,0,0]=4 60 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.6 COCC(=O)N(C)C(C)C 11a_200000211004_100000210968 [0,0,0,0,0,0|4,0,0]=4 62 B9R0.6 COCC(=O)N(C)C(C)C 1626a_200000211004_100000210968 [0,0,0,0,0,0|4,0,0]=4 63 B9R0.6 COCC(=O)N(C)C(C)C 240690a_200000211004_100000210968 [0,0,0,0,0,0|4,0,0]=4 64 B9R0.6 COCC(=O)N(C)C(C)C 34a_100138415774_100000230190 [0,0,0,0,0,0|4,0,0]=4 65 B9R0.6 COCC(=O)N(C)C(C)C 527a_200000211004_100000210968 [0,0,0,0,0,0|4,0,0]=4 66 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.6 CSCC(=O)N(C)C(C)C 11a_200000211004_100000184570 [0,0,0,0,0,0|4,0,0]=4 68 B9R0.6 CSCC(=O)N(C)C(C)C 1626a_200000211004_100000184570 [0,0,0,0,0,0|4,0,0]=4 69 B9R0.6 CSCC(=O)N(C)C(C)C 240690a_200000211004_100000184570 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.6 CSCC(=O)N(C)C(C)C 527a_200000211004_100000184570 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.6 CSCC(=O)N(C)C(C)C 62a_100000230190_200000210301 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.6 CSCC(=O)N(C)C(C)C 62a_200000210301_100000230190 [0,0,0,0,0,0|4,0,0]=4 73 B9R0.6 C[C@@H](C(=O)CCF)N(C)C 1458a_100009822176_100011217306 [0,0,0,0,0,0|4,0,0]=4 74 B9R0.6 C[C@@H](C(=O)CCO)N(C)C 1458a_100009822176_100000211926 [0,0,0,0,0,0|4,0,0]=4 75 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [1,0,0,0,0,0|1,0,2]=4 76 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [1,0,0,0,0,0|2,0,0]=3 77 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [1,0,0,0,0,0|3,0,0]=4 78 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [1,0,0,0,0,0|0,0,2]=3 81 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [1,0,0,0,0,0|0,0,2]=3 82 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [1,0,0,0,0,0|1,0,0]=2 84 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [1,0,0,0,0,0|2,0,0]=3 85 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [1,0,0,0,0,0|2,0,0]=3 86 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [1,0,0,0,0,0|2,0,0]=3 87 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [1,0,0,0,0,0|2,0,0]=3 88 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [1,0,0,0,0,0|2,0,0]=3 89 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [1,0,0,0,0,0|2,0,0]=3 90 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [1,0,0,0,0,0|2,0,0]=3 91 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [1,0,0,0,0,0|2,0,0]=3 92 B8R0.2 CCN(C)C(C)C(C)C 2230a_100000228512_100000210202 [1,0,0,0,0,0|3,0,0]=4 93 B8R0.2 CCN(C)C(C)C(C)C 2230a_100000746363_200000210301 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.2 CCN(C)C(C)C(C)C 269982a_100000228512_100000204670 [1,0,0,0,0,0|3,0,0]=4 95 B8R0.2 CCN(C)C(C)C(C)C 269982a_100000746363_200000210301 [1,0,0,0,0,0|3,0,0]=4 96 B8R0.2 CCN([13CH3])C(C)C(C)C 2230a_100000746363_200025704644 [1,0,0,0,0,0|3,0,0]=4 97 B8R0.2 CCN([13CH3])C(C)C(C)C 269982a_100000746363_200025704644 [1,0,0,0,0,0|3,0,0]=4 98 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [1,0,0,0,0,0|1,0,2]=4 99 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [1,0,0,0,0,0|2,0,0]=3 101 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [1,0,0,0,0,0|2,0,0]=3 102 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [1,0,0,0,0,0|2,0,0]=3 103 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [1,0,0,0,0,0|3,0,0]=4 104 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [1,0,0,0,0,0|3,0,0]=4 105 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [1,0,0,0,0,0|3,0,0]=4 106 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [1,0,0,0,0,0|3,0,0]=4 107 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [1,0,0,0,0,0|3,0,0]=4 109 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [1,0,0,0,0,0|0,0,2]=3 111 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [1,0,0,0,0,0|0,0,2]=3 112 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [1,0,0,0,0,0|0,0,2]=3 113 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [1,0,0,0,0,0|2,0,0]=3 114 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [1,0,0,0,0,0|2,0,0]=3 115 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [1,0,0,0,0,0|2,0,0]=3 116 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [1,0,0,0,0,0|2,0,0]=3 117 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [1,0,0,0,0,0|2,0,0]=3 118 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [1,0,0,0,0,0|2,0,0]=3 119 B8R0.2 C[C@@H](C(=O)CF)N(C)C 1458a_100009822176_100015361967 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [1,0,0,0,0,0|1,0,2]=4 121 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [1,0,0,0,0,0|1,0,2]=4 122 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [1,0,0,0,0,0|1,0,2]=4 123 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,0,0,0,0,0|1,0,2]=4 124 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [1,0,0,0,0,0|1,0,2]=4 125 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [1,0,0,0,0,0|1,0,2]=4 126 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [1,0,0,0,0,0|1,0,2]=4 127 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [1,0,0,0,0,0|1,0,2]=4 128 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [1,0,0,0,0,0|1,0,2]=4 129 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [1,0,0,0,0,0|1,0,2]=4 130 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [1,0,0,0,0,0|1,0,2]=4 131 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [1,0,0,0,0,0|1,0,1]=3 132 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [1,0,0,0,0,0|1,0,1]=3 133 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [1,0,0,0,0,0|2,0,1]=4 134 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [1,0,0,0,0,0|2,0,1]=4 141 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [1,0,0,0,0,0|2,0,0]=3 142 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [1,0,0,0,0,0|2,0,0]=3 143 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [1,0,0,0,0,0|2,0,0]=3 144 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [1,0,0,0,0,0|2,0,0]=3 145 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [1,0,0,0,0,0|2,0,0]=3 147 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [1,0,0,0,0,0|2,0,1]=4 148 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [1,0,0,0,0,0|3,0,0]=4 149 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,0,0,0,0,0|3,0,0]=4 150 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [1,0,0,0,0,0|3,0,0]=4 151 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [1,0,0,0,0,0|2,0,1]=4 153 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,0,0,0,0,0|1,0,0]=2 154 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,0,0,0,0,0|1,0,0]=2 155 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,0,0,0,0,0|2,0,0]=3 156 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [1,0,0,0,0,0|2,0,0]=3 157 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,0,0,0,0,0|2,0,0]=3 158 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,0,0,0,0,0|2,0,0]=3 159 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 160 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 161 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 162 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 163 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [1,0,0,0,0,0|3,0,0]=4 164 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [1,0,0,0,0,0|3,0,0]=4 167 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [1,0,0,0,0,0|3,0,0]=4 168 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [1,0,0,0,0,0|3,0,0]=4 170 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [1,0,0,0,0,0|3,0,0]=4 171 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [1,0,0,0,0,0|3,0,0]=4 172 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [1,0,0,0,0,0|3,0,0]=4 175 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [1,0,0,0,0,0|3,0,0]=4 177 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [1,0,0,0,0,0|3,0,0]=4 181 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [1,0,0,0,0,0|3,0,0]=4 183 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 184 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 185 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 186 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [1,0,0,0,0,0|3,0,0]=4 187 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 188 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 189 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 190 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 191 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [1,0,0,0,0,0|3,0,0]=4 195 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [1,0,0,0,0,0|3,0,0]=4 196 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [1,0,0,0,0,0|2,0,1]=4 198 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [1,0,0,0,0,0|2,0,1]=4 199 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [1,0,0,0,0,0|2,0,1]=4 200 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [1,0,0,0,0,0|1,0,0]=2 201 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [1,0,0,0,0,0|1,0,0]=2 202 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [1,0,0,0,0,0|1,0,0]=2 203 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [1,0,0,0,0,0|2,0,0]=3 204 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [1,0,0,0,0,0|2,0,0]=3 205 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [1,0,0,0,0,0|2,0,0]=3 206 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [1,0,0,0,0,0|2,0,0]=3 207 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [1,0,0,0,0,0|2,0,0]=3 208 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [1,0,0,0,0,0|2,0,0]=3 209 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [1,0,0,0,0,0|2,0,0]=3 210 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [1,0,0,0,0,0|2,0,0]=3 211 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [1,0,0,0,0,0|2,0,0]=3 212 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [1,0,0,0,0,0|2,0,0]=3 213 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [1,0,0,0,0,0|2,0,0]=3 214 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [1,0,0,0,0,0|2,0,0]=3 215 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [1,0,0,0,0,0|2,0,0]=3 216 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [1,0,0,0,0,0|2,0,0]=3 217 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [1,0,0,0,0,0|2,0,0]=3 218 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [1,0,0,0,0,0|2,0,0]=3 219 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [1,0,0,0,0,0|2,0,0]=3 220 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [1,0,0,0,0,0|2,0,0]=3 221 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,0,0,0,0,0|2,0,0]=3 222 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [1,0,0,0,0,0|2,0,0]=3 223 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [1,0,0,0,0,0|2,0,0]=3 224 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [1,0,0,0,0,0|2,0,0]=3 225 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [1,0,0,0,0,0|2,0,1]=4 226 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [1,0,0,0,0,0|2,0,1]=4 227 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,0,0,0,0,0|2,0,1]=4 228 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,0,0,0,0,0|2,0,1]=4 229 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,0,0,0,0,0|2,0,1]=4 230 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [1,0,0,0,0,0|1,0,0]=2 231 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [1,0,0,0,0,0|1,0,0]=2 232 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [1,0,0,0,0,0|1,0,0]=2 233 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [1,0,0,0,0,0|1,0,0]=2 234 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [1,0,0,0,0,0|1,0,0]=2 235 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [1,0,0,0,0,0|1,0,0]=2 236 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [1,0,0,0,0,0|1,0,0]=2 237 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [1,0,0,0,0,0|1,0,0]=2 238 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [1,0,0,0,0,0|2,0,0]=3 239 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [1,0,0,0,0,0|2,0,0]=3 240 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [1,0,0,0,0,0|2,0,0]=3 241 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [1,0,0,0,0,0|2,0,0]=3 242 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [1,0,0,0,0,0|2,0,0]=3 243 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [1,0,0,0,0,0|2,0,0]=3 244 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [1,0,0,0,0,0|2,0,0]=3 245 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [1,0,0,0,0,0|2,0,0]=3 246 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [1,0,0,0,0,0|1,0,0]=2 247 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [1,0,0,0,0,0|1,0,0]=2 248 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [1,0,0,0,0,0|1,0,1]=3 249 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [1,0,0,0,0,0|1,1,0]=3 250 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [1,0,0,0,0,0|1,1,0]=3 251 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [1,0,0,0,0,0|3,0,0]=4 252 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [1,0,0,0,0,0|3,0,0]=4 255 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [1,0,0,0,0,0|3,0,0]=4 256 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [1,0,0,0,0,0|3,0,0]=4 257 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [1,0,0,0,0,0|3,0,0]=4 258 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [1,0,0,0,0,0|3,0,0]=4 259 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [1,0,0,0,0,0|3,0,0]=4 260 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [1,0,0,0,0,0|1,0,2]=4 261 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [1,0,0,0,0,0|1,0,2]=4 262 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,0,0,0,0,0|2,0,1]=4 263 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [1,0,0,0,0,0|1,0,2]=4 264 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [1,0,0,0,0,0|1,0,2]=4 265 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [1,0,0,0,0,0|1,0,1]=3 267 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [1,0,0,0,0,0|3,0,0]=4 268 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [1,0,0,0,0,0|3,0,0]=4 269 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [1,0,0,0,0,0|3,0,0]=4 270 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [1,0,0,0,0,0|2,0,1]=4 271 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [1,0,0,0,0,0|2,0,1]=4 272 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [1,0,0,0,0,0|2,0,1]=4 273 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,0,0,0,0,0|2,0,0]=3 275 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,0,0,0,0,0|2,0,1]=4 276 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [1,0,0,0,0,0|1,0,1]=3 277 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,0,0,0,0,0|1,0,2]=4 278 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,0,0,0,0,0|2,0,0]=3 279 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,0,0,0,0,0|2,0,0]=3 280 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,0,0,0,0,0|1,0,0]=2 281 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [1,0,0,0,0,0|3,0,0]=4 282 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [1,0,0,0,0,0|3,0,0]=4 283 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [1,0,0,0,0,0|3,0,0]=4 284 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [1,0,0,0,0,0|3,0,0]=4 285 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,0,0,0,0,0|1,0,0]=2 286 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [1,0,0,0,0,0|3,0,0]=4 287 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [1,0,0,0,0,0|3,0,0]=4 288 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [1,0,0,0,0,0|3,0,0]=4 289 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [1,0,0,0,0,0|3,0,0]=4 290 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [1,0,0,0,0,0|3,0,0]=4 291 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [1,0,0,0,0,0|3,0,0]=4 292 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [1,0,0,0,0,0|3,0,0]=4 293 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [1,0,0,0,0,0|3,0,0]=4 294 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [1,0,0,0,0,0|3,0,0]=4 295 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [1,0,0,0,0,0|3,0,0]=4 296 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [1,0,0,0,0,0|3,0,0]=4 297 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,0,0,0,0,0|1,0,2]=4 298 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [1,0,0,0,0,0|2,0,0]=3 299 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [1,0,0,0,0,0|2,0,0]=3 300 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [1,0,0,0,0,0|2,0,0]=3 301 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [1,0,0,0,0,0|3,0,0]=4 302 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [1,0,0,0,0,0|3,0,0]=4 303 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [1,0,0,0,0,0|3,0,0]=4 304 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [1,0,0,0,0,0|3,0,0]=4 305 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [1,0,0,0,0,0|3,0,0]=4 306 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [1,0,0,0,0,0|3,0,0]=4 307 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [1,0,0,0,0,0|3,0,0]=4 308 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [1,0,0,0,0,0|3,0,0]=4 309 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [1,0,0,0,0,0|3,0,0]=4 310 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,0,0,0,0,0|1,0,0]=2 311 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [1,0,0,0,0,0|3,0,0]=4 312 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [1,0,0,0,0,0|3,0,0]=4 313 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [1,0,0,0,0,0|3,0,0]=4 314 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [1,0,0,0,0,0|3,0,0]=4 315 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [1,0,0,0,0,0|3,0,0]=4 316 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [1,0,0,0,0,0|3,0,0]=4 317 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [1,0,0,0,0,0|3,0,0]=4 318 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [1,0,0,0,0,0|3,0,0]=4 319 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,0,0,0,0,0|0,0,2]=3 320 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,0,0,0,0,0|0,0,2]=3 321 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,0,0,0,0,0|0,0,2]=3 322 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [1,0,0,0,0,0|2,0,0]=3 323 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [1,0,0,0,0,0|2,0,0]=3 324 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [1,0,0,0,0,0|2,0,0]=3 325 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [1,0,0,0,0,0|2,0,0]=3 326 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,0,0,0,0,0|2,0,1]=4 329 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [1,0,0,0,0,0|3,0,0]=4 330 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [1,0,0,0,0,0|2,0,0]=3 331 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [1,0,0,0,0,0|3,0,0]=4 332 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,0,0,0,0,0|2,0,0]=3 333 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [1,0,0,0,0,0|3,0,0]=4 334 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,0,0,0,0,0|2,0,0]=3 335 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [1,0,0,0,0,0|2,0,1]=4 336 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [1,0,0,0,0,0|2,0,0]=3 337 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,0,0,0,0,0|2,0,0]=3 338 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [1,0,0,0,0,0|3,0,0]=4 340 B8R0.8 CCNN=C(C)C(C)O 4a_100000756455_100000212229 [1,0,0,0,0,0|2,0,1]=4 341 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,0,0,0,0,0|0,0,3]=4 342 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,0,0,0,0,0|0,0,3]=4 343 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [1,0,0,0,0,0|2,0,1]=4 344 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [1,0,0,0,0,0|2,0,1]=4 345 B10R0.13 C=C(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000748629 [0,1,0,0,0,0|2,0,1]=4 346 B10R0.13 CC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000179758 [0,1,0,0,0,0|1,0,2]=4 347 B10R0.13 CC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000179758 [0,1,0,0,0,0|1,0,2]=4 348 B10R0.13 CC(=O)C(C)C(=O)NC(C)C 1458a_100000070787_100000195394 [0,1,0,0,0,0|1,0,2]=4 349 B10R0.13 CC(C)C(C)C(=O)CC(F)F 1458a_100000755409_100011934356 [0,1,0,0,0,0|3,0,0]=4 350 B10R0.13 CC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000210624 [0,1,0,0,0,0|2,0,0]=3 351 B10R0.13 CC(C)CC(=O)N(C)C(C)C 11a_200000211004_100000210554 [0,1,0,0,0,0|3,0,0]=4 352 B10R0.13 CC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100000210554 [0,1,0,0,0,0|3,0,0]=4 353 B10R0.13 CC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100000210554 [0,1,0,0,0,0|3,0,0]=4 354 B10R0.13 CC(C)CC(=O)N(C)C(C)C 527a_200000211004_100000210554 [0,1,0,0,0,0|3,0,0]=4 355 B10R0.13 CC(C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210624 [0,1,0,0,0,0|3,0,0]=4 356 B10R0.13 CC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210624 [0,1,0,0,0,0|3,0,0]=4 357 B10R0.13 CC(C)N(C)C(=O)C[C@@H](C)O 240690a_200000211004_100011933948 [0,1,0,0,0,0|3,0,0]=4 358 B10R0.13 CC(C)NC(=O)C(C)C(C)C 11a_100138425928_100000755409 [0,1,0,0,0,0|2,0,0]=3 359 B10R0.13 CC(C)NC(=O)C(C)C(C)C 1626a_100138425928_100000755409 [0,1,0,0,0,0|2,0,0]=3 360 B10R0.13 CC(C)NC(=O)C(C)C(C)C 240690a_100138425928_100000755409 [0,1,0,0,0,0|2,0,0]=3 361 B10R0.13 CC(C)NC(=O)C(C)C(C)C 527a_100138425928_100000755409 [0,1,0,0,0,0|2,0,0]=3 362 B10R0.13 CC(C)NC(=O)C(C)N(C)C 2230a_100102631434_100000195394 [0,1,0,0,0,0|3,0,0]=4 363 B10R0.13 CC(C)NC(=O)C(C)N(C)C 269982a_100102631434_100000195394 [0,1,0,0,0,0|3,0,0]=4 364 B10R0.13 CC(C)NC(=O)N(C)C(C)C 2708a_100138425928_200000211004 [0,1,0,0,0,0|3,0,0]=4 365 B10R0.13 CC(C)NC(=O)N(C)C(C)C 273464a_100138425928_200000211004 [0,1,0,0,0,0|3,0,0]=4 366 B10R0.13 CC(C)NC(=O)[C@H](C)N(C)C 240690a_100138425928_100009822176 [0,1,0,0,0,0|3,0,0]=4 367 B10R0.13 CC(C)NC(=O)[C@H](C)N(C)C 527a_100138425928_100009822176 [0,1,0,0,0,0|3,0,0]=4 368 B10R0.13 CC(C)NC(=O)[C@H](O)C(C)C 240690a_100138425928_100000691806 [0,1,0,0,0,0|3,0,0]=4 369 B10R0.13 CC(O)CC(=O)C(C)C(C)C 1458a_100000755409_100011218427 [0,1,0,0,0,0|2,0,0]=3 370 B10R0.13 CC(O)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100011218427 [0,1,0,0,0,0|3,0,0]=4 371 B10R0.13 CC(O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100011218427 [0,1,0,0,0,0|3,0,0]=4 372 B10R0.35 C#CC(=O)C(C)C(=O)OCC 1458a_100000211873_100011216346 [0,1,0,0,0,0|0,0,3]=4 373 B10R0.35 C=CC(=O)C(C)C(=O)OCC 1458a_100000185746_100011216346 [0,1,0,0,0,0|0,0,3]=4 374 B10R0.35 CC(CO)N(C)C(=O)CCO 240690a_100000693034_100011216618 [0,1,0,0,0,0|3,0,0]=4 375 B10R0.35 CC=CC(=O)N(C)C(C)CO 240690a_100000693034_100000210699 [0,1,0,0,0,0|2,0,1]=4 376 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,1,0,0,0,0|1,0,2]=4 377 B10R0.35 CCCC(=O)C(C)C(=O)NC 1458a_100000211992_100000209862 [0,1,0,0,0,0|1,0,2]=4 378 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,1,0,0,0,0|1,0,2]=4 379 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,1,0,0,0,0|1,0,2]=4 380 B10R0.35 CCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210303 [0,1,0,0,0,0|3,0,0]=4 381 B10R0.35 CCCC(=O)N(C)C(C)C#N 11a_100000745055_100000211992 [0,1,0,0,0,0|3,0,0]=4 382 B10R0.35 CCCC(=O)N(C)C(C)C#N 1626a_100000745055_100000211992 [0,1,0,0,0,0|3,0,0]=4 383 B10R0.35 CCCC(=O)N(C)C(C)C#N 527a_100000745055_100000211992 [0,1,0,0,0,0|3,0,0]=4 384 B10R0.35 CCCC(=O)N(C)C(C)CC 11a_100000741768_100000211992 [0,1,0,0,0,0|3,0,0]=4 385 B10R0.35 CCCC(=O)N(C)C(C)CC 1626a_100000741768_100000211992 [0,1,0,0,0,0|3,0,0]=4 386 B10R0.35 CCCC(=O)N(C)C(C)CC 240690a_100000741768_100000211992 [0,1,0,0,0,0|3,0,0]=4 387 B10R0.35 CCCC(=O)N(C)C(C)CC 527a_100000741768_100000211992 [0,1,0,0,0,0|3,0,0]=4 388 B10R0.35 CCCC(=O)N(C)C(C)CO 240690a_100000693034_100000211992 [0,1,0,0,0,0|2,0,0]=3 389 B10R0.35 CCCC(=O)N(C)C(C)CO 527a_100000693034_100000211992 [0,1,0,0,0,0|2,0,0]=3 390 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,1,0,0,0,0|2,0,0]=3 391 B10R0.35 CCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230173 [0,1,0,0,0,0|1,0,2]=4 392 B10R0.35 CCNC(=O)C(C)C(=O)CO 1458a_100000210174_100000230173 [0,1,0,0,0,0|1,0,2]=4 393 B10R0.35 CCNC(=O)C(C)C(=O)OC 11a_100015525214_100012027023 [0,1,0,0,0,0|1,0,2]=4 394 B10R0.35 CCNC(=O)C(C)C(=O)OC 240690a_100015525214_100012027023 [0,1,0,0,0,0|1,0,2]=4 395 B10R0.35 CCNC(=O)C(C)C(=O)OC 527a_100015525214_100012027023 [0,1,0,0,0,0|1,0,2]=4 396 B10R0.35 CCNC(=O)C(C)N(C)CC 2230a_100000225621_100000230173 [0,1,0,0,0,0|3,0,0]=4 397 B10R0.35 CCNC(=O)C(C)N(C)CC 240690a_100015525214_100011281945 [0,1,0,0,0,0|3,0,0]=4 398 B10R0.35 CCNC(=O)C(C)N(C)CC 269982a_100000225621_100000230173 [0,1,0,0,0,0|3,0,0]=4 399 B10R0.35 CCNC(=O)C(C)N(C)CC 527a_100015525214_100011281945 [0,1,0,0,0,0|3,0,0]=4 400 B10R0.35 CCNC(=O)N(C)C(C)C#N 2708a_100015525214_100000745055 [0,1,0,0,0,0|3,0,0]=4 401 B10R0.35 CCNC(=O)N(C)C(C)C#N 273464a_100015525214_100000745055 [0,1,0,0,0,0|3,0,0]=4 402 B10R0.35 CCNC(=O)N(C)C(C)CC 2708a_100015525214_100000741768 [0,1,0,0,0,0|3,0,0]=4 403 B10R0.35 CCNC(=O)N(C)C(C)CC 273464a_100015525214_100000741768 [0,1,0,0,0,0|3,0,0]=4 404 B10R0.35 CCNC(=O)N(C)C(C)CO 2708a_100015525214_100000693034 [0,1,0,0,0,0|2,0,0]=3 405 B10R0.35 CCNC(=O)[C@H](O)[C@H](O)CO 240690a_100015525214_100015448053 [0,1,0,0,0,0|2,0,0]=3 406 B10R0.35 CCOC(=O)C(=O)C(C)NC 2230a_106832991635_100010256902 [0,1,0,0,0,0|2,0,1]=4 407 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_100010256902_200000210301 [0,1,0,0,0,0|1,1,1]=4 408 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_200000210301_100010256902 [0,1,0,0,0,0|1,1,1]=4 409 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_100010256902_200025704644 [0,1,0,0,0,0|1,1,1]=4 410 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100010256902 [0,1,0,0,0,0|1,1,1]=4 411 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,1,0,0,0,0|0,0,2]=3 412 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,1,0,0,0,0|0,0,2]=3 413 B10R0.35 CCOC(=O)C(C)C(=O)CF 1458a_100132301724_100015361967 [0,1,0,0,0,0|0,0,2]=3 414 B10R0.35 CCOC(=O)C(C)C(=O)CO 1458a_100000210174_100011216346 [0,1,0,0,0,0|0,0,2]=3 415 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [0,1,0,0,0,0|0,0,2]=3 416 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [0,1,0,0,0,0|0,0,2]=3 417 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [0,1,0,0,0,0|0,0,2]=3 418 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [0,1,0,0,0,0|0,0,2]=3 419 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [0,1,0,0,0,0|2,0,0]=3 420 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [0,1,0,0,0,0|2,0,0]=3 421 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,1,0,0,0,0|1,0,2]=4 422 B10R0.35 CCOC(=O)C(F)C(=O)CO 1458a_100000210174_100000760018 [0,1,0,0,0,0|1,0,2]=4 423 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [0,1,0,0,0,0|3,0,0]=4 424 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [0,1,0,0,0,0|3,0,0]=4 425 B10R0.35 CCOC(C)C(C)C(C)CC 7a_200011290770_100000210202 [0,1,0,0,0,0|2,0,1]=4 426 B10R0.35 COCC(=O)N(C)C(C)CO 240690a_100000693034_100000210968 [0,1,0,0,0,0|3,0,0]=4 427 B10R0.35 COCC(=O)N(C)C(C)CO 527a_100000693034_100000210968 [0,1,0,0,0,0|3,0,0]=4 428 B10R0.35 CSCC(=O)N(C)C(C)CO 240690a_100000693034_100000184570 [0,1,0,0,0,0|3,0,0]=4 429 B10R0.35 CSCC(=O)N(C)C(C)CO 527a_100000693034_100000184570 [0,1,0,0,0,0|3,0,0]=4 430 B10R0.35 O=C(CCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011217306 [0,1,0,0,0,0|3,0,0]=4 431 B10R0.35 O=C(CCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211926 [0,1,0,0,0,0|3,0,0]=4 432 B10R0.36 CCCC(=O)C(C)(C)N(C)C 1458a_100000688961_100000210303 [0,1,0,0,0,0|3,0,0]=4 433 B10R0.36 CCNC(=O)C(C)(C)N(C)C 240690a_100015525214_100000688961 [0,1,0,0,0,0|3,0,0]=4 434 B10R0.36 CCNC(=O)C(C)(C)N(C)C 527a_100015525214_100000688961 [0,1,0,0,0,0|3,0,0]=4 435 B10R0.36 CCOC(=O)C(C)(C)C(=O)C 1458a_100000694683_200000210301 [0,1,0,0,0,0|0,0,2]=3 436 B10R0.36 CCOC(=O)C(C)(C)C(=O)[13CH3] 1458a_100000694683_200025704644 [0,1,0,0,0,0|0,0,2]=3 437 B10R0.36 CCOC(=O)C(C)(C)N(C)C 2230a_100102631434_100011216345 [0,1,0,0,0,0|2,0,0]=3 438 B10R0.36 CCOC(=O)C(C)(C)N(C)C 269982a_100102631434_100048669870 [0,1,0,0,0,0|2,0,0]=3 439 B10R0.36 CCOC(=O)C(C)(O)C(=O)C 1458a_200009913003_200000210301 [0,1,0,0,0,0|0,0,2]=3 440 B10R0.36 CCOC(=O)C(C)(O)C(=O)[13CH3] 1458a_200009913003_200025704644 [0,1,0,0,0,0|0,0,2]=3 441 B10R0.36 CCOC(=O)C(F)(F)N(C)C 269982a_100102631434_100000210910 [0,1,0,0,0,0|3,0,0]=4 442 B10R0.56 CCC(C)C(=O)C(C)C(=O)C 1458a_100011192722_100000179758 [0,1,0,0,0,0|1,0,2]=4 443 B10R0.56 CCC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000758301 [0,1,0,0,0,0|2,0,0]=3 444 B10R0.56 CCC(C)C(=O)N(C)C(C)C 11a_200000211004_100011192722 [0,1,0,0,0,0|3,0,0]=4 445 B10R0.56 CCC(C)C(=O)N(C)C(C)C 1626a_200000211004_100011192722 [0,1,0,0,0,0|3,0,0]=4 446 B10R0.56 CCC(C)C(=O)N(C)C(C)C 240690a_200000211004_100011192722 [0,1,0,0,0,0|3,0,0]=4 447 B10R0.56 CCC(C)C(=O)N(C)C(C)C 527a_200000211004_100011192722 [0,1,0,0,0,0|3,0,0]=4 448 B10R0.56 CCC(C)C(=O)[C@H](C)N(C)C 1458a_100009822176_100000758301 [0,1,0,0,0,0|3,0,0]=4 449 B10R0.56 CCC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000758301 [0,1,0,0,0,0|3,0,0]=4 450 B10R0.56 CCC(O)C(=O)C(C)C(=O)C 1458a_100011196387_100000179758 [0,1,0,0,0,0|1,0,2]=4 451 B10R0.56 CCC(O)C(=O)N(C)C(C)C 240690a_200000211004_100011196387 [0,1,0,0,0,0|3,0,0]=4 452 B10R0.56 CCN(C)C(=O)C(C)C(=O)C 1458a_100000070787_200012002205 [0,1,0,0,0,0|1,0,2]=4 453 B10R0.56 CCN(C)C(=O)C(C)C(C)C 11a_100000225621_100000755409 [0,1,0,0,0,0|2,0,0]=3 454 B10R0.56 CCN(C)C(=O)C(C)C(C)C 1626a_100000225621_100000755409 [0,1,0,0,0,0|2,0,0]=3 455 B10R0.56 CCN(C)C(=O)C(C)C(C)C 240690a_100000225621_100000755409 [0,1,0,0,0,0|2,0,0]=3 456 B10R0.56 CCN(C)C(=O)C(C)C(C)C 527a_100000225621_100000755409 [0,1,0,0,0,0|2,0,0]=3 457 B10R0.56 CCN(C)C(=O)C(C)N(C)C 2230a_100102631434_200012002205 [0,1,0,0,0,0|3,0,0]=4 458 B10R0.56 CCN(C)C(=O)C(C)N(C)C 269982a_100102631434_200012002205 [0,1,0,0,0,0|3,0,0]=4 459 B10R0.56 CCN(C)C(=O)[C@H](C)N(C)C 240690a_100000225621_100009822176 [0,1,0,0,0,0|3,0,0]=4 460 B10R0.56 CCN(C)C(=O)[C@H](C)N(C)C 527a_100000225621_100009822176 [0,1,0,0,0,0|3,0,0]=4 461 B10R0.56 CCN(C)C(=O)[C@H](O)C(C)C 240690a_100000225621_100000691806 [0,1,0,0,0,0|3,0,0]=4 462 B10R0.81 C#CCCC(=O)C(C)C(C)C 1458a_100000755409_100000753159 [0,1,0,0,0,0|2,0,1]=4 463 B10R0.81 C#CCNC(=O)C(C)C(C)C 11a_100000212058_100000755409 [0,1,0,0,0,0|2,0,1]=4 464 B10R0.81 C#CCNC(=O)C(C)C(C)C 1626a_100000212058_100000755409 [0,1,0,0,0,0|2,0,1]=4 465 B10R0.81 C#CCNC(=O)C(C)C(C)C 240690a_100000212058_100000755409 [0,1,0,0,0,0|2,0,1]=4 466 B10R0.81 C#CCNC(=O)C(C)C(C)C 527a_100000212058_100000755409 [0,1,0,0,0,0|2,0,1]=4 467 B10R0.81 C/C=C/CC(=O)C(C)C(C)C 1458a_100000755409_100102629194 [0,1,0,0,0,0|2,0,1]=4 468 B10R0.81 C=CCCC(=O)C(C)C(C)C 1458a_100000755409_100000754431 [0,1,0,0,0,0|2,0,1]=4 469 B10R0.81 C=CCNC(=O)C(C)C(C)C 1626a_100020586998_100000755409 [0,1,0,0,0,0|2,0,1]=4 470 B10R0.81 C=CCNC(=O)C(C)C(C)C 240690a_100020586998_100000755409 [0,1,0,0,0,0|2,0,1]=4 471 B10R0.81 C=CCNC(=O)C(C)C(C)C 527a_100020586998_100000755409 [0,1,0,0,0,0|2,0,1]=4 472 B10R0.81 CC#CCC(=O)C(C)C(C)C 1458a_100000755409_100000748600 [0,1,0,0,0,0|2,0,1]=4 473 B10R0.81 CC(C)C(C)C(=O)CCC#N 1458a_100000755409_100011215226 [0,1,0,0,0,0|2,0,1]=4 474 B10R0.81 CC(C)C(C)C(=O)CCCF 1458a_100000755409_100011934791 [0,1,0,0,0,0|2,0,0]=3 475 B10R0.81 CC(C)C(C)C(=O)CCCO 1458a_100000755409_100011215043 [0,1,0,0,0,0|2,0,0]=3 476 B10R0.81 CC(C)C(C)C(=O)NCC#N 1626a_100000734998_100000755409 [0,1,0,0,0,0|2,0,1]=4 477 B10R0.81 CC(C)C(C)C(=O)NCC#N 527a_100000734998_100000755409 [0,1,0,0,0,0|2,0,1]=4 478 B10R0.81 CC(C)C(C)C(=O)NCCF 11a_100000724931_100000755409 [0,1,0,0,0,0|2,0,0]=3 479 B10R0.81 CC(C)C(C)C(=O)NCCF 1626a_100000724931_100000755409 [0,1,0,0,0,0|2,0,0]=3 480 B10R0.81 CC(C)C(C)C(=O)NCCF 240690a_100000724931_100000755409 [0,1,0,0,0,0|2,0,0]=3 481 B10R0.81 CC(C)C(C)C(=O)NCCF 527a_100000724931_100000755409 [0,1,0,0,0,0|2,0,0]=3 482 B10R0.81 CC(C)C(C)C(=O)NCCO 240690a_100000210304_100000755409 [0,1,0,0,0,0|2,0,0]=3 483 B10R0.81 CC(C)C(C)C(=O)NCCO 527a_100000210304_100000755409 [0,1,0,0,0,0|2,0,0]=3 484 B10R0.81 CC(C)N(C)C(=O)NCCF 273464a_100000724931_200000211004 [0,1,0,0,0,0|3,0,0]=4 485 B10R0.81 CC(C)N(C)C(=O)NCCO 273464a_100000210304_200000211004 [0,1,0,0,0,0|3,0,0]=4 486 B10R0.81 CC(C)[C@@H](O)C(=O)CCCF 1458a_100000691806_100011934791 [0,1,0,0,0,0|3,0,0]=4 487 B10R0.81 CC(C)[C@@H](O)C(=O)CCCO 1458a_100000691806_100011215043 [0,1,0,0,0,0|3,0,0]=4 488 B10R0.81 CC(C)[C@@H](O)C(=O)NCCF 240690a_100000724931_100000691806 [0,1,0,0,0,0|3,0,0]=4 489 B10R0.81 CC(C)[C@@H](O)C(=O)NCCO 240690a_100000210304_100000691806 [0,1,0,0,0,0|3,0,0]=4 490 B10R0.81 CC=CCC(=O)C(C)C(C)C 1458a_100000755409_100000070051 [0,1,0,0,0,0|2,0,1]=4 491 B10R0.81 CCC#CC(=O)C(C)C(=O)C 1458a_100011827653_100000179758 [0,1,0,0,0,0|1,0,2]=4 492 B10R0.81 CCC=CC(=O)C(C)C(=O)C 1458a_100000212282_100000179758 [0,1,0,0,0,0|1,0,2]=4 493 B10R0.81 CCC=CC(=O)N(C)C(C)C 11a_200000211004_100000212282 [0,1,0,0,0,0|3,0,0]=4 494 B10R0.81 CCC=CC(=O)N(C)C(C)C 1626a_200000211004_100000212282 [0,1,0,0,0,0|3,0,0]=4 495 B10R0.81 CCC=CC(=O)N(C)C(C)C 240690a_200000211004_100000212282 [0,1,0,0,0,0|3,0,0]=4 496 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,1,0,0,0,0|1,0,2]=4 497 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,1,0,0,0,0|2,0,0]=3 498 B10R0.81 CCCCC(=O)N(C)C(C)C 11a_200000211004_100000210183 [0,1,0,0,0,0|3,0,0]=4 499 B10R0.81 CCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210183 [0,1,0,0,0,0|3,0,0]=4 500 B10R0.81 CCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210183 [0,1,0,0,0,0|3,0,0]=4 501 B10R0.81 CCCCC(=O)N(C)C(C)C 527a_200000211004_100000210183 [0,1,0,0,0,0|3,0,0]=4 502 B10R0.81 CCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210211 [0,1,0,0,0,0|3,0,0]=4 503 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,1,0,0,0,0|3,0,0]=4 504 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [0,1,0,0,0,0|1,0,2]=4 505 B10R0.81 CCCNC(=O)C(C)C(C)C 11a_100020643023_100000755409 [0,1,0,0,0,0|2,0,0]=3 506 B10R0.81 CCCNC(=O)C(C)C(C)C 1626a_100020643023_100000755409 [0,1,0,0,0,0|2,0,0]=3 507 B10R0.81 CCCNC(=O)C(C)C(C)C 240690a_100020643023_100000755409 [0,1,0,0,0,0|2,0,0]=3 508 B10R0.81 CCCNC(=O)C(C)C(C)C 527a_100020643023_100000755409 [0,1,0,0,0,0|2,0,0]=3 509 B10R0.81 CCCNC(=O)C(C)N(C)C 2230a_100102631434_100000230305 [0,1,0,0,0,0|3,0,0]=4 510 B10R0.81 CCCNC(=O)C(C)N(C)C 269982a_100102631434_100000230305 [0,1,0,0,0,0|3,0,0]=4 511 B10R0.81 CCCNC(=O)N(C)C(C)C 2708a_100020643023_200000211004 [0,1,0,0,0,0|3,0,0]=4 512 B10R0.81 CCCNC(=O)N(C)C(C)C 273464a_100020643023_200000211004 [0,1,0,0,0,0|3,0,0]=4 513 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 240690a_100020643023_100009822176 [0,1,0,0,0,0|3,0,0]=4 514 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 527a_100020643023_100009822176 [0,1,0,0,0,0|3,0,0]=4 515 B10R0.81 CCCNC(=O)[C@H](O)C(C)C 240690a_100020643023_100000691806 [0,1,0,0,0,0|3,0,0]=4 516 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,1,0,0,0,0|0,0,2]=3 517 B10R0.81 CCCOC(=O)C(C)N(C)C 2230a_100102631434_100000760410 [0,1,0,0,0,0|2,0,0]=3 518 B10R0.81 CCCOC(=O)C(C)N(C)C 269982a_100102631434_100000760410 [0,1,0,0,0,0|2,0,0]=3 519 B10R0.81 CCNCC(=O)N(C)C(C)C 2230a_100015525214_100000230190 [0,1,0,0,0,0|3,0,0]=4 520 B10R0.81 CCNNC(=O)C(C)C(C)C 22a_100000756455_100000755409 [0,1,0,0,0,0|2,0,0]=3 521 B10R0.81 CCNNC(=O)[C@H](C)N(C)C 22a_100000756455_100009822176 [0,1,0,0,0,0|3,0,0]=4 522 B10R0.81 CCNNC(=O)[C@H](O)C(C)C 22a_100000756455_100000691806 [0,1,0,0,0,0|3,0,0]=4 523 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,1,0,0,0,0|0,0,2]=3 524 B10R0.81 CCOCC(=O)C(C)C(=O)N 1458a_100000211967_100000702099 [0,1,0,0,0,0|1,0,2]=4 525 B10R0.81 CCOCC(=O)N(C)C(C)C 11a_200000211004_100000211967 [0,1,0,0,0,0|2,0,0]=3 526 B10R0.81 CCOCC(=O)N(C)C(C)C 1626a_200000211004_100000211967 [0,1,0,0,0,0|2,0,0]=3 527 B10R0.81 CCOCC(=O)N(C)C(C)C 240690a_200000211004_100000211967 [0,1,0,0,0,0|2,0,0]=3 528 B10R0.81 CCOCC(=O)N(C)C(C)C 34a_100121572206_100000230190 [0,1,0,0,0,0|2,0,0]=3 529 B10R0.81 CCOCC(=O)N(C)C(C)C 527a_200000211004_100000211967 [0,1,0,0,0,0|2,0,0]=3 530 B10R0.81 CCOCN(C)C(C)C(C)C 269982a_100000228512_100000739092 [0,1,0,0,0,0|3,0,0]=4 531 B10R0.81 CCSCC(=O)C(C)C(=O)C 1458a_100000230394_100000179758 [0,1,0,0,0,0|0,1,2]=4 532 B10R0.81 CCSCC(=O)N(C)C(C)C 11a_200000211004_100000230394 [0,1,0,0,0,0|2,1,0]=4 533 B10R0.81 CCSCC(=O)N(C)C(C)C 1626a_200000211004_100000230394 [0,1,0,0,0,0|2,1,0]=4 534 B10R0.81 CCSCC(=O)N(C)C(C)C 240690a_200000211004_100000230394 [0,1,0,0,0,0|2,1,0]=4 535 B10R0.81 CCSCC(=O)N(C)C(C)C 527a_200000211004_100000230394 [0,1,0,0,0,0|2,1,0]=4 536 B10R0.81 CCSCC(=O)N(C)C(C)C 62a_100000210202_100000230190 [0,1,0,0,0,0|2,1,0]=4 537 B10R0.81 CCSCC(=O)N(C)C(C)C 62a_100000230190_100000210202 [0,1,0,0,0,0|2,1,0]=4 538 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [0,1,0,0,0,0|1,0,2]=4 539 B10R0.81 COCCC(=O)C(C)C(C)C 1458a_100000755409_100000233755 [0,1,0,0,0,0|2,0,0]=3 540 B10R0.81 COCCC(=O)N(C)C(C)C 11a_200000211004_100000749529 [0,1,0,0,0,0|3,0,0]=4 541 B10R0.81 COCCC(=O)N(C)C(C)C 1626a_200000211004_100000749529 [0,1,0,0,0,0|3,0,0]=4 542 B10R0.81 COCCC(=O)N(C)C(C)C 240690a_200000211004_100000749529 [0,1,0,0,0,0|3,0,0]=4 543 B10R0.81 COCCC(=O)N(C)C(C)C 527a_200000211004_100000749529 [0,1,0,0,0,0|3,0,0]=4 544 B10R0.81 COCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000233755 [0,1,0,0,0,0|3,0,0]=4 545 B10R0.81 COCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000233755 [0,1,0,0,0,0|3,0,0]=4 546 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,1,0,0,0,0|1,0,2]=4 547 B10R0.81 CSCCC(=O)C(C)C(C)C 1458a_100000755409_100000751147 [0,1,0,0,0,0|2,0,0]=3 548 B10R0.81 CSCCC(=O)N(C)C(C)C 11a_200000211004_100000174002 [0,1,0,0,0,0|3,0,0]=4 549 B10R0.81 CSCCC(=O)N(C)C(C)C 1626a_200000211004_100000174002 [0,1,0,0,0,0|3,0,0]=4 550 B10R0.81 CSCCC(=O)N(C)C(C)C 240690a_200000211004_100000174002 [0,1,0,0,0,0|3,0,0]=4 551 B10R0.81 CSCCC(=O)N(C)C(C)C 527a_200000211004_100000174002 [0,1,0,0,0,0|3,0,0]=4 552 B10R0.81 CSCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000751147 [0,1,0,0,0,0|3,0,0]=4 553 B10R0.81 CSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000751147 [0,1,0,0,0,0|3,0,0]=4 554 B10R0.81 C[C@@H](C(=O)CCCF)N(C)C 1458a_100009822176_100011934791 [0,1,0,0,0,0|3,0,0]=4 555 B10R0.81 C[C@@H](C(=O)CCCO)N(C)C 1458a_100009822176_100011215043 [0,1,0,0,0,0|3,0,0]=4 556 B10R0.81 C[C@@H](C(=O)NCCF)N(C)C 240690a_100000724931_100009822176 [0,1,0,0,0,0|3,0,0]=4 557 B10R0.81 C[C@@H](C(=O)NCCF)N(C)C 527a_100000724931_100009822176 [0,1,0,0,0,0|3,0,0]=4 558 B10R0.81 C[C@@H](C(=O)NCCO)N(C)C 240690a_100000210304_100009822176 [0,1,0,0,0,0|3,0,0]=4 559 B10R0.81 C[C@@H](C(=O)NCCO)N(C)C 527a_100000210304_100009822176 [0,1,0,0,0,0|3,0,0]=4 560 B10R0.100 CCCC(=O)C(C)C(F)(F)F 1458a_100000137572_100000210303 [0,1,0,0,0,0|3,0,0]=4 561 B10R0.100 CCCC(=O)N(C)C(C)(C)C 11a_100011215553_100000211992 [0,1,0,0,0,0|3,0,0]=4 562 B10R0.100 CCCC(=O)N(C)C(C)(C)C 1626a_100011215553_100000211992 [0,1,0,0,0,0|3,0,0]=4 563 B10R0.100 CCCC(=O)N(C)C(C)(C)C 240690a_100011215553_100000211992 [0,1,0,0,0,0|3,0,0]=4 564 B10R0.100 CCCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210303 [0,1,0,0,0,0|3,0,0]=4 565 B10R0.100 CCNC(=O)C(C)C(F)(F)F 11a_100015525214_100000137572 [0,1,0,0,0,0|3,0,0]=4 566 B10R0.100 CCNC(=O)C(C)C(F)(F)F 240690a_100015525214_100000137572 [0,1,0,0,0,0|3,0,0]=4 567 B10R0.100 CCNC(=O)C(C)C(F)(F)F 527a_100015525214_100000137572 [0,1,0,0,0,0|3,0,0]=4 568 B10R0.100 CCNC(=O)N(C)C(C)(C)C 2708a_100015525214_100011215553 [0,1,0,0,0,0|3,0,0]=4 569 B10R0.100 CCNC(=O)N(C)C(C)(C)C 273464a_100015525214_100011215553 [0,1,0,0,0,0|3,0,0]=4 570 B10R0.100 CCNC(=O)[C@@H](O)C(C)(C)C 240690a_100015525214_100009816492 [0,1,0,0,0,0|3,0,0]=4 571 B10R0.101 CCCC(=O)C(CC)N(C)C 1458a_100000689100_100000210303 [0,1,0,0,0,0|3,0,0]=4 572 B10R0.101 CCCC(=O)N(CC)C(C)C 11a_100000223864_100000211992 [0,1,0,0,0,0|3,0,0]=4 573 B10R0.101 CCCC(=O)N(CC)C(C)C 1626a_100000223864_100000211992 [0,1,0,0,0,0|3,0,0]=4 574 B10R0.101 CCCC(=O)N(CC)C(C)C 240690a_100000223864_100000211992 [0,1,0,0,0,0|3,0,0]=4 575 B10R0.101 CCCC(=O)N(CC)C(C)C 527a_100000223864_100000211992 [0,1,0,0,0,0|3,0,0]=4 576 B10R0.101 CCNC(=O)C(CC)N(C)C 240690a_100015525214_100000689100 [0,1,0,0,0,0|3,0,0]=4 577 B10R0.101 CCNC(=O)C(CC)N(C)C 527a_100015525214_100000689100 [0,1,0,0,0,0|3,0,0]=4 578 B10R0.101 CCNC(=O)N(CC)C(C)C 2708a_100015525214_100000223864 [0,1,0,0,0,0|3,0,0]=4 579 B10R0.101 CCNC(=O)N(CC)C(C)C 273464a_100015525214_100000223864 [0,1,0,0,0,0|3,0,0]=4 580 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [0,1,0,0,0,0|0,0,2]=3 581 B10R0.101 CCOC(=O)C(CC)N(C)C 2230a_100102631434_100000212269 [0,1,0,0,0,0|2,0,0]=3 582 B10R0.101 CCOC(=O)C(CC)N(C)C 269982a_100102631434_100000212269 [0,1,0,0,0,0|2,0,0]=3 583 B10R0.101 CCOC(=O)C(NC)C(=O)C 34a_100102657272_100009831564 [0,1,0,0,0,0|0,0,2]=3 584 B10R0.101 CCOC(=O)C(NC)C(C)C 34a_100102657272_100000740032 [0,1,0,0,0,0|1,0,0]=2 585 B10R0.101 CCOC(=O)C(NC)C(C)C 7a_106832991635_100000740032 [0,1,0,0,0,0|1,0,0]=2 586 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [0,1,0,0,0,0|0,0,2]=3 587 B10R0.101 CCOC(=O)C(OC)C(C)C 34a_100138415774_100000740032 [0,1,0,0,0,0|1,0,0]=2 588 B10R0.101 CCOC(=O)C(SC)C(=O)C 1458a_100000070787_100009893047 [0,1,0,0,0,0|0,0,2]=3 589 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_100000211040_200000210301 [0,1,0,0,0,0|0,0,2]=3 590 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_200000210301_100000211040 [0,1,0,0,0,0|0,0,2]=3 591 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_100000740032_200000210301 [0,1,0,0,0,0|1,0,0]=2 592 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_200000210301_100000740032 [0,1,0,0,0,0|1,0,0]=2 593 B10R0.101 CCOC(=O)C(SC)N(C)C 269982a_100102631434_100009893047 [0,1,0,0,0,0|2,0,0]=3 594 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_100000211040_200025704644 [0,1,0,0,0,0|0,0,2]=3 595 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000211040 [0,1,0,0,0,0|0,0,2]=3 596 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_100000740032_200025704644 [0,1,0,0,0,0|1,0,0]=2 597 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000740032 [0,1,0,0,0,0|1,0,0]=2 598 B10R0.104 CCNS(=O)(=O)C(C)C(C)C 270084a_100015525214_100000765091 [0,1,0,0,0,0|3,0,0]=4 599 B10R0.104 CCNS(=O)(=O)C(C)C(C)C 274078a_100015525214_100000765091 [0,1,0,0,0,0|3,0,0]=4 600 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [0,0,0,1,0,0|0,0,2]=3 601 B10R1.59 CC1CC(C(=O)O1)N(C)C 2230a_100102631434_200000216747 [0,0,0,1,0,0|2,0,0]=3 602 B10R1.59 CC1CC(C(=O)O1)N(C)C 269982a_100102631434_200000216747 [0,0,0,1,0,0|2,0,0]=3 603 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,0,0,1,0,0|1,0,2]=4 604 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,0,0,1,0,0|1,0,2]=4 605 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,0,0,1,0,0|1,0,2]=4 606 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,0,0,1,0,0|3,0,0]=4 607 B10R1.61 CN(C)C1CCCNC1=O 2230a_100102631434_100000687798 [0,0,0,1,0,0|3,0,0]=4 608 B10R1.61 CN(C)C1CCCNC1=O 269982a_100102631434_100000687798 [0,0,0,1,0,0|3,0,0]=4 609 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,0,0,1,0,0|1,0,2]=4 610 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,0,0,1,0,0|1,0,2]=4 611 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,0,0,1,0,0|3,0,0]=4 612 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,0,0,1,0,0|3,0,0]=4 613 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,0,0,1,0,0|3,0,0]=4 614 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,0,0,1,0,0|3,0,0]=4 615 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,0,0,1,0,0|3,0,0]=4 616 B10R1.212 CCCC(=O)N(C)C1CC1 11a_100000226674_100000211992 [0,0,0,1,0,0|3,0,0]=4 617 B10R1.212 CCCC(=O)N(C)C1CC1 1626a_100000226674_100000211992 [0,0,0,1,0,0|3,0,0]=4 618 B10R1.212 CCCC(=O)N(C)C1CC1 240690a_100000226674_100000211992 [0,0,0,1,0,0|3,0,0]=4 619 B10R1.212 CCCC(=O)N(C)C1CC1 527a_100000226674_100000211992 [0,0,0,1,0,0|3,0,0]=4 620 B10R1.212 CCCN(C)C(C)C1CO1 270004a_100000747261_100000031964 [0,0,0,1,0,0|3,0,0]=4 621 B10R1.212 CCNC(=O)N(C)C1CC1 2708a_100015525214_100000226674 [0,0,0,1,0,0|3,0,0]=4 622 B10R1.212 CCNC(=O)N(C)C1CC1 273464a_100015525214_100000226674 [0,0,0,1,0,0|3,0,0]=4 623 B10R1.278 CC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000179758 [0,0,0,1,0,0|1,0,2]=4 624 B10R1.278 CC(C)N(C)C(=O)C1CC1 11a_200000211004_100000210395 [0,0,0,1,0,0|3,0,0]=4 625 B10R1.278 CC(C)N(C)C(=O)C1CC1 1626a_200000211004_100000210395 [0,0,0,1,0,0|3,0,0]=4 626 B10R1.278 CC(C)N(C)C(=O)C1CC1 240690a_200000211004_100000210395 [0,0,0,1,0,0|3,0,0]=4 627 B10R1.278 CC(C)N(C)C(=O)C1CC1 527a_200000211004_100000210395 [0,0,0,1,0,0|3,0,0]=4 628 B10R1.400 CC1(C[C@@H]1C(=O)CCF)C 1458a_100000692687_100011217306 [0,0,0,1,0,0|3,0,0]=4 629 B10R1.400 CC1(C[C@@H]1C(=O)CCO)C 1458a_100000692687_100000211926 [0,0,0,1,0,0|3,0,0]=4 630 B10R1.400 CCCC(=O)C1CC1(F)F 1458a_100000042250_100000210303 [0,0,0,1,0,0|3,0,0]=4 631 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,0,0,1,0,0|2,0,0]=3 632 B10R1.400 CCNC(=O)C1CC1(F)F 11a_100015525214_100000042250 [0,0,0,1,0,0|3,0,0]=4 633 B10R1.400 CCNC(=O)C1CC1(F)F 240690a_100015525214_100000042250 [0,0,0,1,0,0|3,0,0]=4 634 B10R1.400 CCNC(=O)C1CC1(F)F 527a_100015525214_100000042250 [0,0,0,1,0,0|3,0,0]=4 635 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 11a_100015525214_100000692687 [0,0,0,1,0,0|2,0,0]=3 636 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 240690a_100015525214_100000692687 [0,0,0,1,0,0|2,0,0]=3 637 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 527a_100015525214_100000692687 [0,0,0,1,0,0|2,0,0]=3 638 B10R1.400 CNNC(=O)[C@H]1CC1(C)C 22a_100016993582_100000692687 [0,0,0,1,0,0|3,0,0]=4 639 B10R0.26 CC(C)C(C)NC(=O)CCO 240690a_100000211541_100011216618 [0,0,0,0,0,1|3,0,0]=4 640 B10R0.26 CC=CC(=O)NC(C)C(C)C 11a_100000211541_100000210699 [0,0,0,0,0,1|2,0,1]=4 641 B10R0.26 CC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000210699 [0,0,0,0,0,1|2,0,1]=4 642 B10R0.26 CC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000210699 [0,0,0,0,0,1|2,0,1]=4 643 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,0,0,0,0,1|2,0,1]=4 644 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,0,0,0,0,1|2,0,1]=4 645 B10R0.26 CCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210303 [0,0,0,0,0,1|3,0,0]=4 646 B10R0.26 CCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210303 [0,0,0,0,0,1|3,0,0]=4 647 B10R0.26 CCCC(=O)CN(C)C(C)C 269982a_200000211004_100000747444 [0,0,0,0,0,1|3,0,0]=4 648 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,0,0,0,0,1|1,0,2]=4 649 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,0,0,0,0,1|1,0,2]=4 650 B10R0.26 CCCC(=O)NC(C)C(C)C 11a_100000211541_100000211992 [0,0,0,0,0,1|2,0,0]=3 651 B10R0.26 CCCC(=O)NC(C)C(C)C 1626a_100000211541_100000211992 [0,0,0,0,0,1|2,0,0]=3 652 B10R0.26 CCCC(=O)NC(C)C(C)C 240690a_100000211541_100000211992 [0,0,0,0,0,1|2,0,0]=3 653 B10R0.26 CCCC(=O)NC(C)C(C)C 527a_100000211541_100000211992 [0,0,0,0,0,1|2,0,0]=3 654 B10R0.26 CCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183381 [0,0,0,0,0,1|2,0,1]=4 655 B10R0.26 CCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183381 [0,0,0,0,0,1|2,0,1]=4 656 B10R0.26 CCNC(=O)CC(C)N(C)C 240690a_100015525214_100011311895 [0,0,0,0,0,1|3,0,0]=4 657 B10R0.26 CCNC(=O)CN(C)C(C)C 11a_100015525214_100000743827 [0,0,0,0,0,1|3,0,0]=4 658 B10R0.26 CCNC(=O)CN(C)C(C)C 2230a_100000741943_100000210206 [0,0,0,0,0,1|3,0,0]=4 659 B10R0.26 CCNC(=O)CN(C)C(C)C 240690a_100015525214_100000743827 [0,0,0,0,0,1|3,0,0]=4 660 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_100000741943_100000210206 [0,0,0,0,0,1|3,0,0]=4 661 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_200000211004_100000183381 [0,0,0,0,0,1|3,0,0]=4 662 B10R0.26 CCNC(=O)CN(C)C(C)C 527a_100015525214_100000743827 [0,0,0,0,0,1|3,0,0]=4 663 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100000211541_100015525214 [0,0,0,0,0,1|2,0,0]=3 664 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100015525214_100000211541 [0,0,0,0,0,1|2,0,0]=3 665 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100000211541_100015525214 [0,0,0,0,0,1|2,0,0]=3 666 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100015525214_100000211541 [0,0,0,0,0,1|2,0,0]=3 667 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100000211541_100015525214 [0,0,0,0,0,1|2,0,0]=3 668 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100015525214_100000211541 [0,0,0,0,0,1|2,0,0]=3 669 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,0,0,0,0,1|2,0,1]=4 670 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,0,0,0,0,1|2,0,1]=4 671 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,0,0,0,0,1|2,0,1]=4 672 B10R0.26 CCOC(=O)CC(=O)C(O)O 1458a_100000233687_100000188475 [0,0,0,0,0,1|2,0,1]=4 673 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,0,0,0,0,1|1,0,1]=3 674 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,0,0,0,0,1|1,0,1]=3 675 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,0,0,0,0,1|0,0,2]=3 676 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,0,0,0,0,1|2,0,0]=3 677 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,0,0,0,0,1|2,0,0]=3 678 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,0,0,0,0,1|1,0,2]=4 679 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,0,0,0,0,1|1,0,2]=4 680 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,0,0,0,0,1|1,0,2]=4 681 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,0,0,0,0,1|1,0,2]=4 682 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [0,0,0,0,0,1|2,0,0]=3 683 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [0,0,0,0,0,1|2,0,0]=3 684 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [0,0,0,0,0,1|2,0,0]=3 685 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [0,0,0,0,0,1|2,0,0]=3 686 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [0,0,0,0,0,1|2,0,0]=3 687 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [0,0,0,0,0,1|2,0,0]=3 688 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,0,0,0,0,1|2,0,0]=3 689 B10R0.26 CNNC(=O)NC(C)C(C)C 273464a_100000211541_100016993582 [0,0,0,0,0,1|3,0,0]=4 690 B10R0.26 CNNC(=O)NC(C)C(C)C 512a_100000211541_100016993582 [0,0,0,0,0,1|3,0,0]=4 691 B10R0.26 CNNC(=O)NC(C)C(C)C 512a_100016993582_100000211541 [0,0,0,0,0,1|3,0,0]=4 692 B10R0.26 COCC(=O)NC(C)C(C)C 11a_100000211541_100000210968 [0,0,0,0,0,1|3,0,0]=4 693 B10R0.26 COCC(=O)NC(C)C(C)C 1626a_100000211541_100000210968 [0,0,0,0,0,1|3,0,0]=4 694 B10R0.26 COCC(=O)NC(C)C(C)C 240690a_100000211541_100000210968 [0,0,0,0,0,1|3,0,0]=4 695 B10R0.26 COCC(=O)NC(C)C(C)C 527a_100000211541_100000210968 [0,0,0,0,0,1|3,0,0]=4 696 B10R0.26 CSCC(=O)NC(C)C(C)C 11a_100000211541_100000184570 [0,0,0,0,0,1|3,0,0]=4 697 B10R0.26 CSCC(=O)NC(C)C(C)C 1626a_100000211541_100000184570 [0,0,0,0,0,1|3,0,0]=4 698 B10R0.26 CSCC(=O)NC(C)C(C)C 240690a_100000211541_100000184570 [0,0,0,0,0,1|3,0,0]=4 699 B10R0.26 CSCC(=O)NC(C)C(C)C 527a_100000211541_100000184570 [0,0,0,0,0,1|3,0,0]=4 700 B10R0.32 CC#CC(=O)C(C)CC(C)C 1458a_100000763181_100000731052 [0,0,0,0,0,1|2,0,1]=4 701 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,0,0,0,0,1|3,0,0]=4 702 B10R0.32 CC(O)CN(C)C(=O)CCO 240690a_100000227577_100011216618 [0,0,0,0,0,1|3,0,0]=4 703 B10R0.32 CC=CC(=O)C(C)CC(C)C 1458a_100000210699_100000731052 [0,0,0,0,0,1|2,0,1]=4 704 B10R0.32 CC=CC(=O)N(C)CC(C)O 240690a_100000227577_100000210699 [0,0,0,0,0,1|2,0,1]=4 705 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,0,0,0,0,1|2,0,0]=3 706 B10R0.32 CCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210303 [0,0,0,0,0,1|3,0,0]=4 707 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,0,0,0,0,1|1,0,2]=4 708 B10R0.32 CCCC(=O)N(C)CC(C)C 11a_100000747067_100000211992 [0,0,0,0,0,1|3,0,0]=4 709 B10R0.32 CCCC(=O)N(C)CC(C)C 1626a_100000747067_100000211992 [0,0,0,0,0,1|3,0,0]=4 710 B10R0.32 CCCC(=O)N(C)CC(C)C 240690a_100000747067_100000211992 [0,0,0,0,0,1|3,0,0]=4 711 B10R0.32 CCCC(=O)N(C)CC(C)C 527a_100000747067_100000211992 [0,0,0,0,0,1|3,0,0]=4 712 B10R0.32 CCCC(=O)N(C)CC(C)O 240690a_100000227577_100000211992 [0,0,0,0,0,1|2,0,0]=3 713 B10R0.32 CCCC(=O)N(C)CC(C)O 527a_100000227577_100000211992 [0,0,0,0,0,1|2,0,0]=3 714 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,0,0,0,0,1|1,0,2]=4 715 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,0,0,0,0,1|3,0,0]=4 716 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,0,0,0,0,1|1,0,2]=4 717 B10R0.32 CCNC(=O)C(=O)CC(C)O 1458a_200011297158_100011218427 [0,0,0,0,0,1|2,0,1]=4 718 B10R0.32 CCNC(=O)C(C)CN(C)C 240690a_100015525214_200015186601 [0,0,0,0,0,1|3,0,0]=4 719 B10R0.32 CCNC(=O)C(C)NC(=O)C 11a_100000736553_100015343762 [0,0,0,0,0,1|1,0,2]=4 720 B10R0.32 CCNC(=O)C(C)NC(=O)C 1626a_100000736553_100015343762 [0,0,0,0,0,1|1,0,2]=4 721 B10R0.32 CCNC(=O)C(C)NC(=O)C 240690a_100000736553_100015343762 [0,0,0,0,0,1|1,0,2]=4 722 B10R0.32 CCNC(=O)C(C)NC(=O)C 527a_100000736553_100103153847 [0,0,0,0,0,1|1,0,2]=4 723 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100000736553_100000210206 [0,0,0,0,0,1|2,0,0]=3 724 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230173 [0,0,0,0,0,1|2,0,0]=3 725 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100000736553_100000210206 [0,0,0,0,0,1|2,0,0]=3 726 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100138425928_100000230173 [0,0,0,0,0,1|2,0,0]=3 727 B10R0.32 CCNC(=O)C(C)OC(C)C 34a_100000212225_100000230173 [0,0,0,0,0,1|2,0,0]=3 728 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000210206_100000230173 [0,0,0,0,0,1|2,0,0]=3 729 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000230173_100000210206 [0,0,0,0,0,1|2,0,0]=3 730 B10R0.32 CCNC(=O)N(C)CC(C)C 2708a_100015525214_100000747067 [0,0,0,0,0,1|3,0,0]=4 731 B10R0.32 CCNC(=O)N(C)CC(C)C 273464a_100015525214_100000747067 [0,0,0,0,0,1|3,0,0]=4 732 B10R0.32 CCNC(=O)N(C)CC(C)O 2708a_100015525214_100000227577 [0,0,0,0,0,1|2,0,0]=3 733 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 11a_100015525214_100011504603 [0,0,0,0,0,1|1,0,2]=4 734 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 240690a_100015525214_100011504603 [0,0,0,0,0,1|1,0,2]=4 735 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 527a_100015525214_100011504603 [0,0,0,0,0,1|1,0,2]=4 736 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,0,0,0,0,1|3,0,0]=4 737 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 11a_100015525214_100009816467 [0,0,0,0,0,1|1,0,2]=4 738 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 240690a_100015525214_100009816467 [0,0,0,0,0,1|1,0,2]=4 739 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 527a_100015525214_100009816467 [0,0,0,0,0,1|1,0,2]=4 740 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,0,0,0,0,1|2,0,1]=4 741 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,0,0,0,0,1|2,0,1]=4 742 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,0,0,0,0,1|2,0,1]=4 743 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,0,0,0,0,1|1,0,0]=2 744 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,0,0,0,0,1|1,0,0]=2 745 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,0,0,0,0,1|1,0,0]=2 746 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,0,0,0,0,1|1,0,0]=2 747 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,0,0,0,0,1|1,0,0]=2 748 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,0,0,0,0,1|2,0,0]=3 749 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,0,0,0,0,1|2,0,0]=3 750 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,0,0,0,0,1|2,0,0]=3 751 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,0,0,0,0,1|2,0,0]=3 752 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,0,0,0,0,1|2,0,0]=3 753 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,0,0,0,0,1|0,0,2]=3 754 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,0,0,0,0,1|1,0,0]=2 755 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 11a_100103168634_100015343762 [0,0,0,0,0,1|0,1,2]=4 756 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 1626a_100103168634_100015343762 [0,0,0,0,0,1|0,1,2]=4 757 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 240690a_100103168634_100015343762 [0,0,0,0,0,1|0,1,2]=4 758 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 527a_100103168634_100103153847 [0,0,0,0,0,1|0,1,2]=4 759 B10R0.32 CCSC(=O)[C@H](C)NC(C)C 2230a_100103168634_100000210206 [0,0,0,0,0,1|1,1,0]=3 760 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,0,0,0,0,1|3,0,0]=4 761 B10R0.32 COCC(=O)N(C)CC(C)O 240690a_100000227577_100000210968 [0,0,0,0,0,1|3,0,0]=4 762 B10R0.32 COCC(=O)N(C)CC(C)O 527a_100000227577_100000210968 [0,0,0,0,0,1|3,0,0]=4 763 B10R0.32 CSCC(=O)C(C)CC(C)C 1458a_100000184570_100000731052 [0,0,0,0,0,1|3,0,0]=4 764 B10R0.32 CSCC(=O)N(C)CC(C)O 240690a_100000227577_100000184570 [0,0,0,0,0,1|3,0,0]=4 765 B10R0.32 CSCC(=O)N(C)CC(C)O 527a_100000227577_100000184570 [0,0,0,0,0,1|3,0,0]=4 766 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [2,0,0,0,0,0|0,0,2]=4 767 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [2,0,0,0,0,0|1,0,1]=4 768 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [2,0,0,0,0,0|0,0,2]=4 769 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [2,0,0,0,0,0|2,0,0]=4 770 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [2,0,0,0,0,0|2,0,0]=4 771 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [2,0,0,0,0,0|1,0,0]=3 772 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [2,0,0,0,0,0|0,0,2]=4 773 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [2,0,0,0,0,0|1,0,0]=3 774 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [2,0,0,0,0,0|1,0,0]=3 775 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [2,0,0,0,0,0|0,0,0]=2 776 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [2,0,0,0,0,0|2,0,0]=4 777 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [2,0,0,0,0,0|2,0,0]=4 778 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [2,0,0,0,0,0|2,0,0]=4 779 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [2,0,0,0,0,0|0,0,0]=2 780 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [2,0,0,0,0,0|2,0,0]=4 781 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [2,0,0,0,0,0|2,0,0]=4 782 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [2,0,0,0,0,0|2,0,0]=4 783 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [2,0,0,0,0,0|2,0,0]=4 784 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [2,0,0,0,0,0|2,0,0]=4 785 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [2,0,0,0,0,0|2,0,0]=4 786 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [2,0,0,0,0,0|2,0,0]=4 787 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [2,0,0,0,0,0|2,0,0]=4 788 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [2,0,0,0,0,0|2,0,0]=4 789 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [2,0,0,0,0,0|2,0,0]=4 790 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [2,0,0,0,0,0|2,0,0]=4 791 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [2,0,0,0,0,0|2,0,0]=4 792 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [2,0,0,0,0,0|2,0,0]=4 793 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [2,0,0,0,0,0|2,0,0]=4 794 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [2,0,0,0,0,0|2,0,0]=4 795 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [2,0,0,0,0,0|2,0,0]=4 796 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [2,0,0,0,0,0|2,0,0]=4 797 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [2,0,0,0,0,0|2,0,0]=4 798 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [2,0,0,0,0,0|2,0,0]=4 799 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [2,0,0,0,0,0|1,0,0]=3 800 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [2,0,0,0,0,0|0,0,2]=4 801 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [2,0,0,0,0,0|0,0,2]=4 802 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [2,0,0,0,0,0|0,0,2]=4 803 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [2,0,0,0,0,0|2,0,0]=4 804 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [2,0,0,0,0,0|2,0,0]=4 805 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [2,0,0,0,0,0|2,0,0]=4 806 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [2,0,0,0,0,0|2,0,0]=4 807 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [2,0,0,0,0,0|1,0,0]=3 808 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [2,0,0,0,0,0|1,0,1]=4 809 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [2,0,0,0,0,0|2,0,0]=4 810 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [2,0,0,0,0,0|2,0,0]=4 811 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [2,0,0,0,0,0|2,0,0]=4 812 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [2,0,0,0,0,0|2,0,0]=4 813 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [2,0,0,0,0,0|2,0,0]=4 814 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [2,0,0,0,0,0|2,0,0]=4 815 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [2,0,0,0,0,0|1,0,1]=4 816 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [2,0,0,0,0,0|1,0,0]=3 817 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [2,0,0,0,0,0|1,0,0]=3 818 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [2,0,0,0,0,0|2,0,0]=4 819 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [2,0,0,0,0,0|2,0,0]=4 820 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 821 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 822 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 823 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 824 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [2,0,0,0,0,0|1,0,0]=3 825 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [2,0,0,0,0,0|1,0,0]=3 826 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [2,0,0,0,0,0|1,0,0]=3 827 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [2,0,0,0,0,0|1,0,0]=3 828 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [2,0,0,0,0,0|1,0,0]=3 829 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 830 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 831 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 832 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [2,0,0,0,0,0|2,0,0]=4 833 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [2,0,0,0,0,0|2,0,0]=4 834 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [2,0,0,0,0,0|1,0,0]=3 835 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [2,0,0,0,0,0|1,0,0]=3 836 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [2,0,0,0,0,0|2,0,0]=4 837 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [2,0,0,0,0,0|0,0,2]=4 838 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [2,0,0,0,0,0|0,0,2]=4 839 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [2,0,0,0,0,0|0,0,2]=4 840 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [2,0,0,0,0,0|1,0,0]=3 841 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [2,0,0,0,0,0|2,0,0]=4 842 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [2,0,0,0,0,0|2,0,0]=4 843 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [2,0,0,0,0,0|2,0,0]=4 844 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [2,0,0,0,0,0|2,0,0]=4 845 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [2,0,0,0,0,0|2,0,0]=4 846 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [2,0,0,0,0,0|2,0,0]=4 847 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [2,0,0,0,0,0|2,0,0]=4 848 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [2,0,0,0,0,0|2,0,0]=4 849 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [2,0,0,0,0,0|2,0,0]=4 850 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [2,0,0,0,0,0|2,0,0]=4 851 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [2,0,0,0,0,0|2,0,0]=4 852 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [2,0,0,0,0,0|2,0,0]=4 853 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [2,0,0,0,0,0|2,0,0]=4 854 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [2,0,0,0,0,0|2,0,0]=4 855 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [2,0,0,0,0,0|2,0,0]=4 856 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [2,0,0,0,0,0|0,0,2]=4 857 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [2,0,0,0,0,0|0,0,2]=4 858 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [2,0,0,0,0,0|0,0,2]=4 859 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [2,0,0,0,0,0|0,0,2]=4 860 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [2,0,0,0,0,0|0,0,2]=4 861 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [2,0,0,0,0,0|1,0,1]=4 862 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [2,0,0,0,0,0|1,0,1]=4 863 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [2,0,0,0,0,0|0,0,0]=2 864 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [2,0,0,0,0,0|0,0,0]=2 865 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [2,0,0,0,0,0|1,0,0]=3 866 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [2,0,0,0,0,0|1,0,0]=3 867 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [2,0,0,0,0,0|1,0,0]=3 868 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [2,0,0,0,0,0|1,0,0]=3 869 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [2,0,0,0,0,0|1,0,0]=3 870 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [2,0,0,0,0,0|1,0,0]=3 871 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [2,0,0,0,0,0|1,0,0]=3 872 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [2,0,0,0,0,0|1,0,0]=3 873 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [2,0,0,0,0,0|1,0,0]=3 874 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [2,0,0,0,0,0|1,0,0]=3 875 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 876 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 877 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 878 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [2,0,0,0,0,0|1,0,0]=3 879 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [2,0,0,0,0,0|1,0,0]=3 880 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [2,0,0,0,0,0|1,0,0]=3 881 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [2,0,0,0,0,0|1,0,0]=3 882 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [2,0,0,0,0,0|1,0,0]=3 883 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [2,0,0,0,0,0|1,0,0]=3 884 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [2,0,0,0,0,0|1,0,0]=3 885 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [2,0,0,0,0,0|1,0,1]=4 886 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [2,0,0,0,0,0|1,0,1]=4 887 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [2,0,0,0,0,0|2,0,0]=4 888 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [2,0,0,0,0,0|2,0,0]=4 889 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [2,0,0,0,0,0|2,0,0]=4 890 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [2,0,0,0,0,0|2,0,0]=4 891 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [2,0,0,0,0,0|2,0,0]=4 892 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [2,0,0,0,0,0|2,0,0]=4 893 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [2,0,0,0,0,0|2,0,0]=4 894 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [2,0,0,0,0,0|2,0,0]=4 895 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [2,0,0,0,0,0|2,0,0]=4 896 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [2,0,0,0,0,0|2,0,0]=4 897 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [2,0,0,0,0,0|2,0,0]=4 898 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [2,0,0,0,0,0|2,0,0]=4 899 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [2,0,0,0,0,0|2,0,0]=4 900 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [2,0,0,0,0,0|2,0,0]=4 901 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [2,0,0,0,0,0|2,0,0]=4 902 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [2,0,0,0,0,0|2,0,0]=4 903 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [2,0,0,0,0,0|2,0,0]=4 904 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [2,0,0,0,0,0|2,0,0]=4 905 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [2,0,0,0,0,0|2,0,0]=4 906 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [2,0,0,0,0,0|2,0,0]=4 907 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [2,0,0,0,0,0|2,0,0]=4 908 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [2,0,0,0,0,0|2,0,0]=4 909 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [2,0,0,0,0,0|2,0,0]=4 910 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [2,0,0,0,0,0|2,0,0]=4 911 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [2,0,0,0,0,0|2,0,0]=4 912 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [2,0,0,0,0,0|2,0,0]=4 913 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [2,0,0,0,0,0|2,0,0]=4 914 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [2,0,0,0,0,0|2,0,0]=4 915 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [2,0,0,0,0,0|2,0,0]=4 916 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [2,0,0,0,0,0|2,0,0]=4 917 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [2,0,0,0,0,0|2,0,0]=4 918 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [2,0,0,0,0,0|2,0,0]=4 919 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [2,0,0,0,0,0|2,0,0]=4 920 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [2,0,0,0,0,0|2,0,0]=4 921 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [2,0,0,0,0,0|2,0,0]=4 922 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [2,0,0,0,0,0|2,0,0]=4 923 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [2,0,0,0,0,0|2,0,0]=4 924 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [2,0,0,0,0,0|2,0,0]=4 925 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [2,0,0,0,0,0|2,0,0]=4 926 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [2,0,0,0,0,0|2,0,0]=4 927 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [2,0,0,0,0,0|2,0,0]=4 928 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [2,0,0,0,0,0|2,0,0]=4 929 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [2,0,0,0,0,0|2,0,0]=4 930 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [2,0,0,0,0,0|1,0,0]=3 931 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [2,0,0,0,0,0|1,0,0]=3 932 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [2,0,0,0,0,0|1,0,0]=3 933 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [2,0,0,0,0,0|1,0,0]=3 934 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [2,0,0,0,0,0|1,0,0]=3 935 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [2,0,0,0,0,0|1,0,0]=3 936 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [2,0,0,0,0,0|1,0,0]=3 937 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [2,0,0,0,0,0|1,0,0]=3 938 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [2,0,0,0,0,0|1,0,0]=3 939 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [2,0,0,0,0,0|1,0,0]=3 940 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [2,0,0,0,0,0|2,0,0]=4 941 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [2,0,0,0,0,0|2,0,0]=4 942 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [2,0,0,0,0,0|2,0,0]=4 943 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [2,0,0,0,0,0|0,0,2]=4 944 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [2,0,0,0,0,0|1,0,0]=3 945 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [2,0,0,0,0,0|2,0,0]=4 946 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [2,0,0,0,0,0|2,0,0]=4 947 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [2,0,0,0,0,0|2,0,0]=4 948 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [2,0,0,0,0,0|2,0,0]=4 949 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [2,0,0,0,0,0|2,0,0]=4 950 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [2,0,0,0,0,0|2,0,0]=4 951 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [2,0,0,0,0,0|2,0,0]=4 952 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [2,0,0,0,0,0|2,0,0]=4 953 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [2,0,0,0,0,0|2,0,0]=4 954 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [2,0,0,0,0,0|2,0,0]=4 955 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [2,0,0,0,0,0|1,0,0]=3 956 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [2,0,0,0,0,0|2,0,0]=4 957 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [2,0,0,0,0,0|2,0,0]=4 958 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [2,0,0,0,0,0|2,0,0]=4 959 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [2,0,0,0,0,0|2,0,0]=4 960 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [2,0,0,0,0,0|2,0,0]=4 961 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [2,0,0,0,0,0|2,0,0]=4 962 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [2,0,0,0,0,0|2,0,0]=4 963 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [2,0,0,0,0,0|2,0,0]=4 964 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [2,0,0,0,0,0|2,0,0]=4 965 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [2,0,0,0,0,0|2,0,0]=4 966 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [2,0,0,0,0,0|2,0,0]=4 967 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [2,0,0,0,0,0|2,0,0]=4 968 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [2,0,0,0,0,0|1,0,1]=4 969 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [2,0,0,0,0,0|1,0,1]=4 970 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [2,0,0,0,0,0|1,0,1]=4 971 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [2,0,0,0,0,0|1,0,1]=4 972 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [2,0,0,0,0,0|1,0,1]=4 973 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [2,0,0,0,0,0|1,0,1]=4 974 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [2,0,0,0,0,0|0,0,1]=3 975 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [2,0,0,0,0,0|1,0,1]=4 976 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [2,0,0,0,0,0|1,0,1]=4 977 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [2,0,0,0,0,0|1,0,1]=4 978 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [2,0,0,0,0,0|1,0,1]=4 979 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [2,0,0,0,0,0|1,0,1]=4 980 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [2,0,0,0,0,0|1,0,1]=4 981 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [2,0,0,0,0,0|1,0,1]=4 982 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [2,0,0,0,0,0|1,0,1]=4 983 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [2,0,0,0,0,0|1,0,1]=4 984 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [2,0,0,0,0,0|0,0,1]=3 985 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [2,0,0,0,0,0|0,0,1]=3 986 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [2,0,0,0,0,0|0,0,1]=3 987 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [2,0,0,0,0,0|1,0,1]=4 988 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [2,0,0,0,0,0|0,1,1]=4 989 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [2,0,0,0,0,0|0,1,1]=4 990 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [2,0,0,0,0,0|0,1,1]=4 991 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [2,0,0,0,0,0|0,1,1]=4 992 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [2,0,0,0,0,0|0,1,1]=4 993 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [2,0,0,0,0,0|0,1,1]=4 994 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [2,0,0,0,0,0|1,0,1]=4 995 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|1,0,1]=4 996 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [2,0,0,0,0,0|1,0,1]=4 997 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|1,0,1]=4 998 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [2,0,0,0,0,0|1,0,1]=4 999 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|1,0,0]=3 1000 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|2,0,0]=4 1001 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|1,0,0]=3 1002 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|1,0,0]=3 1003 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 1004 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 1005 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|2,0,0]=4 1006 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|2,0,0]=4 1007 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|2,0,0]=4 1008 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|2,0,0]=4 1009 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|2,0,0]=4 1010 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|2,0,0]=4 1011 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1012 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1013 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1014 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 1015 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 1016 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|1,0,1]=4 1017 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 1018 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|1,0,0]=3 1019 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 1020 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 1021 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 1022 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 1023 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 1024 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1025 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1026 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 1027 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1028 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1029 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1030 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1031 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 1032 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 1033 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 1034 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 1035 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1036 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1037 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1038 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 1039 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|1,0,0]=3 1040 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 1041 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|1,0,0]=3 1042 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|1,0,0]=3 1043 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|1,0,0]=3 1044 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|1,0,0]=3 1045 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|1,0,0]=3 1046 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [2,0,0,0,0,0|1,0,1]=4 1047 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [2,0,0,0,0,0|2,0,0]=4 1048 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [2,0,0,0,0,0|2,0,0]=4 1049 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [2,0,0,0,0,0|2,0,0]=4 1050 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [2,0,0,0,0,0|2,0,0]=4 1051 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [2,0,0,0,0,0|2,0,0]=4 1052 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [2,0,0,0,0,0|2,0,0]=4 1053 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [2,0,0,0,0,0|2,0,0]=4 1054 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [2,0,0,0,0,0|2,0,0]=4 1055 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [2,0,0,0,0,0|2,0,0]=4 1056 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [2,0,0,0,0,0|2,0,0]=4 1057 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [2,0,0,0,0,0|2,0,0]=4 1058 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [2,0,0,0,0,0|2,0,0]=4 1059 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [2,0,0,0,0,0|2,0,0]=4 1060 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [2,0,0,0,0,0|1,0,1]=4 1061 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [2,0,0,0,0,0|1,0,1]=4 1062 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [2,0,0,0,0,0|1,0,1]=4 1063 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|1,0,1]=4 1064 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|1,0,1]=4 1065 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|1,0,1]=4 1066 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [2,0,0,0,0,0|0,0,1]=3 1067 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [2,0,0,0,0,0|1,0,1]=4 1068 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [2,0,0,0,0,0|0,1,1]=4 1069 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [2,0,0,0,0,0|0,1,1]=4 1070 B9R0.25 CCC(=O)C(C)C(F)(F)F 1458a_100000137572_100000210202 [1,1,0,0,0,0|2,0,0]=4 1071 B9R0.25 CCC(=O)N(C)C(C)(C)C 11a_100011215553_100000210414 [1,1,0,0,0,0|2,0,0]=4 1072 B9R0.25 CCC(=O)N(C)C(C)(C)C 1626a_100011215553_100000210414 [1,1,0,0,0,0|2,0,0]=4 1073 B9R0.25 CCC(=O)N(C)C(C)(C)C 240690a_100011215553_100000210414 [1,1,0,0,0,0|2,0,0]=4 1074 B9R0.25 CCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210202 [1,1,0,0,0,0|2,0,0]=4 1075 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [1,1,0,0,0,0|2,0,0]=4 1076 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [1,1,0,0,0,0|2,0,0]=4 1077 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [1,1,0,0,0,0|0,0,2]=4 1078 B9R0.27 CCC(=O)C(C)C(=O)CO 1458a_100000210174_100000742827 [1,1,0,0,0,0|0,0,2]=4 1079 B9R0.27 CCC(=O)C(C)C(=O)NC 1458a_100000210414_100000209862 [1,1,0,0,0,0|0,0,2]=4 1080 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [1,1,0,0,0,0|0,0,2]=4 1081 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [1,1,0,0,0,0|0,0,2]=4 1082 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [1,1,0,0,0,0|2,0,0]=4 1083 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [1,1,0,0,0,0|2,0,0]=4 1084 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [1,1,0,0,0,0|2,0,0]=4 1085 B9R0.27 CCC(=O)N(C)C(C)C#N 11a_100000745055_100000210414 [1,1,0,0,0,0|2,0,0]=4 1086 B9R0.27 CCC(=O)N(C)C(C)C#N 1626a_100000745055_100000210414 [1,1,0,0,0,0|2,0,0]=4 1087 B9R0.27 CCC(=O)N(C)C(C)C#N 527a_100000745055_100000210414 [1,1,0,0,0,0|2,0,0]=4 1088 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 1089 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 1090 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 1091 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 1092 B9R0.27 CCC(=O)N(C)C(C)CO 240690a_100000693034_100000210414 [1,1,0,0,0,0|1,0,0]=3 1093 B9R0.27 CCC(=O)N(C)C(C)CO 527a_100000693034_100000210414 [1,1,0,0,0,0|1,0,0]=3 1094 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [1,1,0,0,0,0|1,0,0]=3 1095 B9R0.27 CCC(C)C(C)C(C)OC 7a_200011290770_200000210301 [1,1,0,0,0,0|1,0,1]=4 1096 B9R0.27 CCC(C)C(C)C(C)O[13CH3] 7a_200011290770_200025704644 [1,1,0,0,0,0|1,0,1]=4 1097 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [1,1,0,0,0,0|2,0,0]=4 1098 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [1,1,0,0,0,0|2,0,0]=4 1099 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [1,1,0,0,0,0|2,0,0]=4 1100 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [1,1,0,0,0,0|2,0,0]=4 1101 B9R0.27 CNC(=O)C(C)C(=O)OC 11a_106832991635_100012027023 [1,1,0,0,0,0|0,0,2]=4 1102 B9R0.27 CNC(=O)C(C)C(=O)OC 1626a_100102657272_100012027023 [1,1,0,0,0,0|0,0,2]=4 1103 B9R0.27 CNC(=O)C(C)C(=O)OC 240690a_100102657272_100012027023 [1,1,0,0,0,0|0,0,2]=4 1104 B9R0.27 CNC(=O)C(C)C(=O)OC 527a_100102657272_100012027023 [1,1,0,0,0,0|0,0,2]=4 1105 B9R0.27 CNC(=O)N(C)C(C)CO 2708a_100102657272_100000693034 [1,1,0,0,0,0|2,0,0]=4 1106 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC 34a_100102634413_200000210301 [1,1,0,0,0,0|2,0,0]=4 1107 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100102634413_200025704644 [1,1,0,0,0,0|2,0,0]=4 1108 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [1,1,0,0,0,0|2,0,0]=4 1109 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [1,1,0,0,0,0|1,0,1]=4 1110 B9R0.27 COC(=O)C(C)C(=O)CF 1458a_100012027023_100015361967 [1,1,0,0,0,0|0,0,2]=4 1111 B9R0.27 COC(=O)C(C)C(=O)CO 1458a_100000210174_100000211248 [1,1,0,0,0,0|0,0,2]=4 1112 B9R0.27 COC(=O)C(C)N(C)CF 269982a_100000725243_100015361967 [1,1,0,0,0,0|2,0,0]=4 1113 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [1,1,0,0,0,0|1,0,0]=3 1114 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [1,1,0,0,0,0|1,0,0]=3 1115 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [1,1,0,0,0,0|2,0,0]=4 1116 B9R0.28 CCC(=O)C(C)(C)N(C)C 1458a_100000688961_100000210202 [1,1,0,0,0,0|2,0,0]=4 1117 B9R0.28 COC(=O)C(C)(C)C(=O)C 1458a_100012000394_200000210301 [1,1,0,0,0,0|0,0,2]=4 1118 B9R0.28 COC(=O)C(C)(C)C(=O)[13CH3] 1458a_100012000394_200025704644 [1,1,0,0,0,0|0,0,2]=4 1119 B9R0.28 COC(=O)C(C)(C)N(C)C 2230a_100102631434_100000689032 [1,1,0,0,0,0|2,0,0]=4 1120 B9R0.28 COC(=O)C(C)(F)N(C)C 2230a_100102631434_200009867631 [1,1,0,0,0,0|2,0,0]=4 1121 B9R0.29 CCC(=O)C(CC)N(C)C 1458a_100000689100_100000210202 [1,1,0,0,0,0|2,0,0]=4 1122 B9R0.29 CCC(=O)N(CC)C(C)C 11a_100000223864_100000210414 [1,1,0,0,0,0|2,0,0]=4 1123 B9R0.29 CCC(=O)N(CC)C(C)C 1626a_100000223864_100000210414 [1,1,0,0,0,0|2,0,0]=4 1124 B9R0.29 CCC(=O)N(CC)C(C)C 240690a_100000223864_100000210414 [1,1,0,0,0,0|2,0,0]=4 1125 B9R0.29 CCC(=O)N(CC)C(C)C 527a_100000223864_100000210414 [1,1,0,0,0,0|2,0,0]=4 1126 B9R0.29 CCC(C(=O)C)C(=O)OC 1458a_100000070787_100000235869 [1,1,0,0,0,0|0,0,2]=4 1127 B9R0.29 CCC(C(=O)OC)N(C)C 2230a_100000709176_200000210301 [1,1,0,0,0,0|2,0,0]=4 1128 B9R0.29 CCC(C(=O)OC)N(C)C 2230a_100102631434_100000235869 [1,1,0,0,0,0|2,0,0]=4 1129 B9R0.29 CCC(C(=O)OC)N(C)C 269982a_100000709176_200000210301 [1,1,0,0,0,0|2,0,0]=4 1130 B9R0.29 CCC(C(=O)OC)N(C)C 269982a_100102631434_100000235869 [1,1,0,0,0,0|2,0,0]=4 1131 B9R0.29 CCC(C(=O)OC)N(C)[13CH3] 2230a_100000709176_200025704644 [1,1,0,0,0,0|2,0,0]=4 1132 B9R0.29 CCC(C(=O)OC)N(C)[13CH3] 269982a_100000709176_200025704644 [1,1,0,0,0,0|2,0,0]=4 1133 B9R0.29 CNC(=O)C(NC)C(C)C 2230a_100000690981_200000210301 [1,1,0,0,0,0|2,0,0]=4 1134 B9R0.29 CNC(=O)C(NC)C(C)C 34a_100000690981_200000210301 [1,1,0,0,0,0|2,0,0]=4 1135 B9R0.29 CNC(=O)C(N[13CH3])C(C)C 2230a_100000690981_200025704644 [1,1,0,0,0,0|2,0,0]=4 1136 B9R0.29 CNC(=O)C(N[13CH3])C(C)C 34a_100000690981_200025704644 [1,1,0,0,0,0|2,0,0]=4 1137 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 2230a_100102634413_200000210301 [1,1,0,0,0,0|1,0,0]=3 1138 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 34a_100102634413_200000210301 [1,1,0,0,0,0|1,0,0]=3 1139 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 2230a_100102634413_200025704644 [1,1,0,0,0,0|1,0,0]=3 1140 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 34a_100102634413_200025704644 [1,1,0,0,0,0|1,0,0]=3 1141 B9R0.29 CNC(C(=O)OC)C(C)C 2230a_106832991635_100000736125 [1,1,0,0,0,0|1,0,0]=3 1142 B9R0.29 CNC(C(=O)OC)C(C)C 34a_100102657272_100000736125 [1,1,0,0,0,0|1,0,0]=3 1143 B9R0.29 CNC(C(=O)OC)C(C)C 7a_106832991635_100000736125 [1,1,0,0,0,0|1,0,0]=3 1144 B9R0.29 COC(=O)C(CO)C(=O)C 1458a_100000070787_100012276630 [1,1,0,0,0,0|0,0,2]=4 1145 B9R0.29 COC(=O)C(OC)C(C)C 34a_100138415774_100000736125 [1,1,0,0,0,0|1,0,0]=3 1146 B9R0.29 COC(=O)C(SC)C(=O)C 62a_100011215331_200000210301 [1,1,0,0,0,0|0,0,2]=4 1147 B9R0.29 COC(=O)C(SC)C(=O)C 62a_200000210301_100011215331 [1,1,0,0,0,0|0,0,2]=4 1148 B9R0.29 COC(=O)C(SC)C(C)C 62a_100000736125_200000210301 [1,1,0,0,0,0|1,0,0]=3 1149 B9R0.29 COC(=O)C(SC)C(C)C 62a_200000210301_100000736125 [1,1,0,0,0,0|1,0,0]=3 1150 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_100011215331_200025704644 [1,1,0,0,0,0|0,0,2]=4 1151 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100011215331 [1,1,0,0,0,0|0,0,2]=4 1152 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_100000736125_200025704644 [1,1,0,0,0,0|1,0,0]=3 1153 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000736125 [1,1,0,0,0,0|1,0,0]=3 1154 B9R0.29 COC(=O)[C@H](OC)C(C)C 34a_100009883636_200000210301 [1,1,0,0,0,0|1,0,0]=3 1155 B9R0.29 COC(=O)[C@H](OC)C(C)C 7a_100009883636_200000210301 [1,1,0,0,0,0|1,0,0]=3 1156 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 34a_100009883636_200025704644 [1,1,0,0,0,0|1,0,0]=3 1157 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 7a_100009883636_200025704644 [1,1,0,0,0,0|1,0,0]=3 1158 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [1,1,0,0,0,0|0,0,2]=4 1159 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [1,1,0,0,0,0|0,0,2]=4 1160 B9R0.79 CC(=O)C(C)C(=O)C(C)F 1458a_100000062450_100000179758 [1,1,0,0,0,0|0,0,2]=4 1161 B9R0.79 CC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000179758 [1,1,0,0,0,0|0,0,2]=4 1162 B9R0.79 CC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000179758 [1,1,0,0,0,0|0,0,2]=4 1163 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [1,1,0,0,0,0|1,0,0]=3 1164 B9R0.79 CC(C)C(=O)C(C)N(C)C 2230a_100102631434_100009893295 [1,1,0,0,0,0|2,0,0]=4 1165 B9R0.79 CC(C)C(=O)C(C)N(C)C 269982a_100102631434_100009893295 [1,1,0,0,0,0|2,0,0]=4 1166 B9R0.79 CC(C)C(=O)N(C)C(C)C 11a_200000211004_100000210198 [1,1,0,0,0,0|2,0,0]=4 1167 B9R0.79 CC(C)C(=O)N(C)C(C)C 1626a_200000211004_100000210198 [1,1,0,0,0,0|2,0,0]=4 1168 B9R0.79 CC(C)C(=O)N(C)C(C)C 240690a_200000211004_100000210198 [1,1,0,0,0,0|2,0,0]=4 1169 B9R0.79 CC(C)C(=O)N(C)C(C)C 527a_200000211004_100000210198 [1,1,0,0,0,0|2,0,0]=4 1170 B9R0.79 CC(C)C(=O)[C@H](C)N(C)C 1458a_100009822176_100000210206 [1,1,0,0,0,0|2,0,0]=4 1171 B9R0.79 CC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000210206 [1,1,0,0,0,0|2,0,0]=4 1172 B9R0.79 CC(C)C(C)C(=O)N(C)C 11a_100102631434_100000755409 [1,1,0,0,0,0|2,0,0]=4 1173 B9R0.79 CC(C)C(C)C(=O)N(C)C 1626a_100102631434_100000755409 [1,1,0,0,0,0|2,0,0]=4 1174 B9R0.79 CC(C)C(C)C(=O)N(C)C 240690a_100102631434_100000755409 [1,1,0,0,0,0|2,0,0]=4 1175 B9R0.79 CC(C)C(C)C(=O)N(C)C 527a_100102631434_100000755409 [1,1,0,0,0,0|2,0,0]=4 1176 B9R0.79 CC(C)N(C)C(=O)[C@@H](C)O 240690a_200000211004_100000717761 [1,1,0,0,0,0|2,0,0]=4 1177 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 1626a_200000211004_217856618621 [1,1,0,0,0,0|2,0,0]=4 1178 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 240690a_200000211004_217856618621 [1,1,0,0,0,0|2,0,0]=4 1179 B9R0.79 CC(F)C(=O)N(C)C(C)C 11a_200000211004_100000062450 [1,1,0,0,0,0|2,0,0]=4 1180 B9R0.79 CC(F)C(=O)N(C)C(C)C 1626a_200000211004_100000062450 [1,1,0,0,0,0|2,0,0]=4 1181 B9R0.79 CC(F)C(=O)N(C)C(C)C 240690a_200000211004_100000062450 [1,1,0,0,0,0|2,0,0]=4 1182 B9R0.79 CC(F)C(=O)N(C)C(C)C 527a_200000211004_100000062450 [1,1,0,0,0,0|2,0,0]=4 1183 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [1,1,0,0,0,0|0,0,2]=4 1184 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [1,1,0,0,0,0|1,0,1]=4 1185 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [1,1,0,0,0,0|1,0,1]=4 1186 B9R0.8 C#CCNC(=O)C(C)CC 11a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 1187 B9R0.8 C#CCNC(=O)C(C)CC 1626a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 1188 B9R0.8 C#CCNC(=O)C(C)CC 240690a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 1189 B9R0.8 C#CCNC(=O)C(C)CC 527a_100000212058_100011192722 [1,1,0,0,0,0|1,0,1]=4 1190 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [1,1,0,0,0,0|1,0,1]=4 1191 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [1,1,0,0,0,0|1,0,1]=4 1192 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [1,1,0,0,0,0|1,0,1]=4 1193 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1194 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1195 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1196 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [1,1,0,0,0,0|1,0,1]=4 1197 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [1,1,0,0,0,0|1,0,1]=4 1198 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [1,1,0,0,0,0|1,0,1]=4 1199 B9R0.8 CC=NNC(=O)C(C)CC 4a_100000740736_200000210099 [1,1,0,0,0,0|1,0,1]=4 1200 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [1,1,0,0,0,0|1,0,0]=3 1201 B9R0.8 CCC(C)C(=O)C#CCO 1458a_100000049017_100000758301 [1,1,0,0,0,0|1,0,1]=4 1202 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [1,1,0,0,0,0|1,0,1]=4 1203 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [1,1,0,0,0,0|1,0,1]=4 1204 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [1,1,0,0,0,0|1,0,1]=4 1205 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [1,1,0,0,0,0|1,0,0]=3 1206 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [1,1,0,0,0,0|1,0,0]=3 1207 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [1,1,0,0,0,0|1,0,0]=3 1208 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [1,1,0,0,0,0|1,0,0]=3 1209 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [1,1,0,0,0,0|1,0,0]=3 1210 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [1,1,0,0,0,0|1,0,0]=3 1211 B9R0.8 CCC(C)C(=O)NCC#N 1626a_100000734998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1212 B9R0.8 CCC(C)C(=O)NCC#N 527a_100000734998_100011192722 [1,1,0,0,0,0|1,0,1]=4 1213 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1214 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1215 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1216 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [1,1,0,0,0,0|1,0,0]=3 1217 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [1,1,0,0,0,0|1,0,0]=3 1218 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [1,1,0,0,0,0|1,0,0]=3 1219 B9R0.8 CCC(C)C(C)OCCF 7a_100011215189_100011217306 [1,1,0,0,0,0|1,0,1]=4 1220 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [1,1,0,0,0,0|1,0,1]=4 1221 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [1,1,0,0,0,0|2,0,0]=4 1222 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [1,1,0,0,0,0|2,0,0]=4 1223 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [1,1,0,0,0,0|2,0,0]=4 1224 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [1,1,0,0,0,0|2,0,0]=4 1225 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [1,1,0,0,0,0|2,0,0]=4 1226 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [1,1,0,0,0,0|2,0,0]=4 1227 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [1,1,0,0,0,0|1,0,0]=3 1228 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [1,1,0,0,0,0|2,0,0]=4 1229 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [1,1,0,0,0,0|2,0,0]=4 1230 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [1,1,0,0,0,0|2,0,0]=4 1231 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|1,0,0]=3 1232 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|1,0,0]=3 1233 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [1,1,0,0,0,0|2,0,0]=4 1234 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [1,1,0,0,0,0|2,0,0]=4 1235 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|2,0,0]=4 1236 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [1,1,0,0,0,0|2,0,0]=4 1237 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1238 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1239 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1240 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|2,0,0]=4 1241 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1242 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1243 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1244 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 1245 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [1,1,0,0,0,0|2,0,0]=4 1246 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [1,1,0,0,0,0|2,0,0]=4 1247 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [1,1,0,0,0,0|2,0,0]=4 1248 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [1,1,0,0,0,0|2,0,0]=4 1249 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [1,1,0,0,0,0|2,0,0]=4 1250 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [1,1,0,0,0,0|2,0,0]=4 1251 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [1,1,0,0,0,0|2,0,0]=4 1252 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1253 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1254 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1255 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [1,1,0,0,0,0|2,0,0]=4 1256 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 1257 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1258 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1259 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1260 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 1261 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [1,1,0,0,0,0|2,0,0]=4 1262 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [1,1,0,0,0,0|2,0,0]=4 1263 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [1,1,0,0,0,0|2,0,0]=4 1264 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [1,1,0,0,0,0|2,0,0]=4 1265 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [1,1,0,0,0,0|2,0,0]=4 1266 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [1,1,0,0,0,0|2,0,0]=4 1267 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 1268 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 1269 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [1,1,0,0,0,0|1,0,0]=3 1270 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [1,1,0,0,0,0|1,0,0]=3 1271 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [1,1,0,0,0,0|1,0,0]=3 1272 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [1,1,0,0,0,0|1,0,0]=3 1273 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [1,1,0,0,0,0|1,0,0]=3 1274 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [1,1,0,0,0,0|1,0,0]=3 1275 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [1,1,0,0,0,0|1,0,0]=3 1276 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [1,1,0,0,0,0|1,0,0]=3 1277 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [1,1,0,0,0,0|1,0,0]=3 1278 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [1,1,0,0,0,0|1,0,0]=3 1279 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [1,1,0,0,0,0|1,0,0]=3 1280 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [1,1,0,0,0,0|1,0,0]=3 1281 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [1,1,0,0,0,0|1,0,1]=4 1282 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1283 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1284 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1285 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 1286 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1287 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1288 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1289 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 1290 B9R0.8 CCN(C)C(=O)NCCF 273464a_100000724931_100000225621 [1,1,0,0,0,0|2,0,0]=4 1291 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [1,1,0,0,0,0|2,0,0]=4 1292 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [1,1,0,0,0,0|2,0,0]=4 1293 B9R0.8 CCNN=C(C)C(C)CC 4a_100000756455_100000210599 [1,1,0,0,0,0|2,0,0]=4 1294 B9R0.8 CCNN=C(C)C(C)CO 4a_100000756455_100000032740 [1,1,0,0,0,0|2,0,0]=4 1295 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [1,1,0,0,0,0|1,0,0]=3 1296 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [1,1,0,0,0,0|2,0,0]=4 1297 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [1,1,0,0,0,0|2,0,0]=4 1298 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [1,1,0,0,0,0|2,0,0]=4 1299 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [1,1,0,0,0,0|2,0,0]=4 1300 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [1,1,0,0,0,0|1,0,1]=4 1301 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [1,1,0,0,0,0|0,0,0]=2 1302 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1303 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1304 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1305 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [1,1,0,0,0,0|1,0,0]=3 1306 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [1,1,0,0,0,0|1,0,0]=3 1307 B9R0.8 CCOCN(C)C(C)CC 269982a_100000741768_100000739092 [1,1,0,0,0,0|2,0,0]=4 1308 B9R0.8 CCOCN(C)C(C)CO 269982a_100000693034_100000739092 [1,1,0,0,0,0|2,0,0]=4 1309 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [1,1,0,0,0,0|0,1,0]=3 1310 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1311 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1312 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1313 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [1,1,0,0,0,0|1,1,0]=4 1314 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [1,1,0,0,0,0|1,1,0]=4 1315 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [1,1,0,0,0,0|1,1,0]=4 1316 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [1,1,0,0,0,0|2,0,0]=4 1317 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [1,1,0,0,0,0|2,0,0]=4 1318 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [1,1,0,0,0,0|2,0,0]=4 1319 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1320 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1321 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1322 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [1,1,0,0,0,0|2,0,0]=4 1323 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [1,1,0,0,0,0|2,0,0]=4 1324 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [1,1,0,0,0,0|2,0,0]=4 1325 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [1,1,0,0,0,0|2,0,0]=4 1326 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [1,1,0,0,0,0|2,0,0]=4 1327 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [1,1,0,0,0,0|2,0,0]=4 1328 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [1,1,0,0,0,0|2,0,0]=4 1329 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [1,1,0,0,0,0|2,0,0]=4 1330 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1331 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1332 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1333 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [1,1,0,0,0,0|2,0,0]=4 1334 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [1,1,0,0,0,0|2,0,0]=4 1335 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [1,1,0,0,0,0|2,0,0]=4 1336 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [1,1,0,0,0,0|2,0,0]=4 1337 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [1,1,0,0,0,0|2,0,0]=4 1338 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [1,1,0,0,0,0|2,0,0]=4 1339 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [1,1,0,0,0,0|2,0,0]=4 1340 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [1,1,0,0,0,0|2,0,0]=4 1341 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [1,1,0,0,0,0|2,0,0]=4 1342 B9R0.19 CC(C)(CO)C(=O)CCF 1458a_100000749806_100011217306 [1,1,0,0,0,0|2,0,0]=4 1343 B9R0.19 CC(C)(CO)C(=O)CCO 1458a_100000749806_100000211926 [1,1,0,0,0,0|2,0,0]=4 1344 B9R0.19 CCC(C)(C)C(=O)CCF 1458a_100000749717_100011217306 [1,1,0,0,0,0|2,0,0]=4 1345 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [1,1,0,0,0,0|2,0,0]=4 1346 B9R0.19 CCC(C)(C)C(=O)NNC 22a_100016993582_100000749717 [1,1,0,0,0,0|2,0,0]=4 1347 B9R0.19 CCC(C)(O)C(=O)CCF 1458a_100011219770_100011217306 [1,1,0,0,0,0|2,0,0]=4 1348 B9R0.19 CCC(C)(O)C(=O)CCO 1458a_100011219770_100000211926 [1,1,0,0,0,0|2,0,0]=4 1349 B9R0.19 CCC(C)(O)C(=O)NNC 22a_100016993582_100011219770 [1,1,0,0,0,0|2,0,0]=4 1350 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [1,1,0,0,0,0|1,0,0]=3 1351 B9R0.19 CCCC(=O)C(C)(C)CF 1458a_100000138116_100000210303 [1,1,0,0,0,0|2,0,0]=4 1352 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [1,1,0,0,0,0|1,0,0]=3 1353 B9R0.19 CCCC(=O)C(C)(C)OC 1458a_100000753492_100000210303 [1,1,0,0,0,0|2,0,0]=4 1354 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [1,1,0,0,0,0|1,0,0]=3 1355 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [1,1,0,0,0,0|2,0,0]=4 1356 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [1,1,0,0,0,0|1,0,0]=3 1357 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [1,1,0,0,0,0|1,0,0]=3 1358 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [1,1,0,0,0,0|1,0,0]=3 1359 B9R0.19 CCNC(=O)C(C)(C)CF 11a_100015525214_100000138116 [1,1,0,0,0,0|2,0,0]=4 1360 B9R0.19 CCNC(=O)C(C)(C)CF 240690a_100015525214_100000138116 [1,1,0,0,0,0|2,0,0]=4 1361 B9R0.19 CCNC(=O)C(C)(C)CF 527a_100015525214_100000138116 [1,1,0,0,0,0|2,0,0]=4 1362 B9R0.19 CCNC(=O)C(C)(C)CO 240690a_100015525214_100000749806 [1,1,0,0,0,0|1,0,0]=3 1363 B9R0.19 CCNC(=O)C(C)(C)CO 527a_100015525214_100000749806 [1,1,0,0,0,0|1,0,0]=3 1364 B9R0.19 CCNC(=O)C(C)(C)OC 11a_100015525214_100000753492 [1,1,0,0,0,0|2,0,0]=4 1365 B9R0.19 CCNC(=O)C(C)(C)OC 240690a_100015525214_100000753492 [1,1,0,0,0,0|2,0,0]=4 1366 B9R0.19 CCNC(=O)C(C)(C)OC 527a_100015525214_100000753492 [1,1,0,0,0,0|2,0,0]=4 1367 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [1,1,0,0,0,0|1,0,0]=3 1368 B9R0.19 CCNC(=O)C(F)(F)CC 11a_100015525214_100000061896 [1,1,0,0,0,0|2,0,0]=4 1369 B9R0.19 CCNC(=O)C(F)(F)CC 240690a_100015525214_100000061896 [1,1,0,0,0,0|2,0,0]=4 1370 B9R0.19 CCNC(=O)C(F)(F)CC 527a_100015525214_100000061896 [1,1,0,0,0,0|2,0,0]=4 1371 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [1,1,0,0,0,0|1,0,0]=3 1372 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [1,1,0,0,0,0|1,0,0]=3 1373 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [1,1,0,0,0,0|1,0,0]=3 1374 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [1,1,0,0,0,0|1,0,0]=3 1375 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [1,1,0,0,0,0|1,0,0]=3 1376 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [1,1,0,0,0,0|1,0,0]=3 1377 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [1,1,0,0,0,0|1,0,0]=3 1378 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [1,1,0,0,0,0|1,0,0]=3 1379 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [1,1,0,0,0,0|1,0,0]=3 1380 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [1,1,0,0,0,0|1,0,0]=3 1381 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [1,1,0,0,0,0|2,0,0]=4 1382 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [1,1,0,0,0,0|2,0,0]=4 1383 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [1,1,0,0,0,0|2,0,0]=4 1384 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [1,1,0,0,0,0|2,0,0]=4 1385 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [1,1,0,0,0,0|2,0,0]=4 1386 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [1,1,0,0,0,0|2,0,0]=4 1387 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [1,1,0,0,0,0|2,0,0]=4 1388 B9R0.19 CNNC(=O)C(C)(C)CO 22a_100016993582_100000749806 [1,1,0,0,0,0|2,0,0]=4 1389 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [1,1,0,0,0,0|1,0,1]=4 1390 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [1,1,0,0,0,0|2,0,0]=4 1391 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 2230a_100015205314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1392 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 34a_100015205314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1393 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_100000195394_200025704644 [1,1,0,0,0,0|2,0,0]=4 1394 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000195394 [1,1,0,0,0,0|2,0,0]=4 1395 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [1,1,0,0,0,0|2,0,0]=4 1396 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [1,1,0,0,0,0|1,0,0]=3 1397 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [1,1,0,0,0,0|1,0,0]=3 1398 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [1,1,0,0,0,0|2,0,0]=4 1399 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [1,1,0,0,0,0|1,0,1]=4 1400 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [1,1,0,0,0,0|1,0,1]=4 1401 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [1,1,0,0,0,0|1,0,1]=4 1402 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [1,1,0,0,0,0|1,0,0]=3 1403 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [1,1,0,0,0,0|1,0,0]=3 1404 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [1,1,0,0,0,0|1,0,0]=3 1405 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [1,1,0,0,0,0|2,0,0]=4 1406 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [1,1,0,0,0,0|2,0,0]=4 1407 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [1,1,0,0,0,0|1,0,0]=3 1408 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [1,1,0,0,0,0|2,0,0]=4 1409 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1410 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1411 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1412 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [1,1,0,0,0,0|1,0,0]=3 1413 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [1,1,0,0,0,0|1,0,1]=4 1414 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [1,1,0,0,0,0|2,0,0]=4 1415 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [1,1,0,0,0,0|2,0,0]=4 1416 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [1,1,0,0,0,0|2,0,0]=4 1417 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1418 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1419 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1420 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 1421 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [1,1,0,0,0,0|2,0,0]=4 1422 B9R0.23 CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225621 [1,1,0,0,0,0|2,0,0]=4 1423 B9R0.23 CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225621 [1,1,0,0,0,0|2,0,0]=4 1424 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_100015205314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1425 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_106832991635_100000195394 [1,1,0,0,0,0|2,0,0]=4 1426 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100015205314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1427 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100102657272_100000195394 [1,1,0,0,0,0|2,0,0]=4 1428 B9R0.23 CNC(C)C(=O)NC(C)C 7a_106832991635_100000195394 [1,1,0,0,0,0|2,0,0]=4 1429 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [1,1,0,0,0,0|2,0,0]=4 1430 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [1,1,0,0,0,0|2,0,0]=4 1431 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1432 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1433 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1434 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [1,1,0,0,0,0|2,0,0]=4 1435 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [1,1,0,0,0,0|2,0,0]=4 1436 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [1,1,0,0,0,0|1,0,0]=3 1437 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [1,1,0,0,0,0|1,0,0]=3 1438 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [1,1,0,0,0,0|2,0,0]=4 1439 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [1,1,0,0,0,0|2,0,0]=4 1440 B9R0.23 CSC(C)C(=O)NC(C)C 11a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1441 B9R0.23 CSC(C)C(=O)NC(C)C 1626a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1442 B9R0.23 CSC(C)C(=O)NC(C)C 240690a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1443 B9R0.23 CSC(C)C(=O)NC(C)C 527a_100138425928_100000149566 [1,1,0,0,0,0|2,0,0]=4 1444 B9R0.23 CSC(C)C(=O)NC(C)C 62a_100000195394_200000210301 [1,1,0,0,0,0|2,0,0]=4 1445 B9R0.23 CSC(C)C(=O)NC(C)C 62a_200000210301_100000195394 [1,1,0,0,0,0|2,0,0]=4 1446 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [1,1,0,0,0,0|0,0,2]=4 1447 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [1,1,0,0,0,0|0,0,2]=4 1448 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [1,1,0,0,0,0|0,0,2]=4 1449 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [1,1,0,0,0,0|0,0,2]=4 1450 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [1,1,0,0,0,0|0,0,2]=4 1451 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [1,1,0,0,0,0|0,0,2]=4 1452 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [1,1,0,0,0,0|0,0,2]=4 1453 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [1,1,0,0,0,0|1,0,1]=4 1454 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 1455 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 1456 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [1,1,0,0,0,0|1,0,1]=4 1457 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [1,1,0,0,0,0|1,0,1]=4 1458 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [1,1,0,0,0,0|1,0,1]=4 1459 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [1,1,0,0,0,0|1,0,1]=4 1460 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [1,1,0,0,0,0|2,0,0]=4 1461 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [1,1,0,0,0,0|1,0,1]=4 1462 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [1,1,0,0,0,0|1,0,1]=4 1463 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [1,1,0,0,0,0|1,0,1]=4 1464 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [1,1,0,0,0,0|1,0,1]=4 1465 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [1,1,0,0,0,0|1,0,1]=4 1466 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [1,1,0,0,0,0|1,0,1]=4 1467 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [1,1,0,0,0,0|1,0,1]=4 1468 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [1,1,0,0,0,0|1,0,1]=4 1469 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [1,1,0,0,0,0|1,0,0]=3 1470 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [1,1,0,0,0,0|1,0,0]=3 1471 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [1,1,0,0,0,0|1,0,0]=3 1472 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [1,1,0,0,0,0|1,0,0]=3 1473 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [1,1,0,0,0,0|1,0,0]=3 1474 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [1,1,0,0,0,0|1,0,0]=3 1475 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [1,1,0,0,0,0|1,0,0]=3 1476 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [1,1,0,0,0,0|1,0,0]=3 1477 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1478 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1479 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1480 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 1481 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [1,1,0,0,0,0|2,0,0]=4 1482 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [1,1,0,0,0,0|2,0,0]=4 1483 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [1,1,0,0,0,0|2,0,0]=4 1484 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [1,1,0,0,0,0|2,0,0]=4 1485 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [1,1,0,0,0,0|2,0,0]=4 1486 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [1,1,0,0,0,0|2,0,0]=4 1487 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [1,1,0,0,0,0|2,0,0]=4 1488 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [1,1,0,0,0,0|2,0,0]=4 1489 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 1490 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 1491 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 1492 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [1,1,0,0,0,0|2,0,0]=4 1493 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 1494 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 1495 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 1496 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 1497 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [1,1,0,0,0,0|2,0,0]=4 1498 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [1,1,0,0,0,0|1,0,1]=4 1499 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [1,1,0,0,0,0|1,0,1]=4 1500 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [1,1,0,0,0,0|1,0,0]=3 1501 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [1,1,0,0,0,0|1,0,0]=3 1502 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [1,1,0,0,0,0|1,0,0]=3 1503 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [1,1,0,0,0,0|1,0,0]=3 1504 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [1,1,0,0,0,0|1,0,0]=3 1505 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [1,1,0,0,0,0|1,0,0]=3 1506 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [1,1,0,0,0,0|1,0,0]=3 1507 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [1,1,0,0,0,0|1,0,0]=3 1508 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [1,1,0,0,0,0|1,0,0]=3 1509 B9R0.35 CCNC(=O)C(C)NCF 34a_100000736553_100015361967 [1,1,0,0,0,0|2,0,0]=4 1510 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [1,1,0,0,0,0|1,0,0]=3 1511 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [1,1,0,0,0,0|1,0,0]=3 1512 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [1,1,0,0,0,0|1,0,0]=3 1513 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [1,1,0,0,0,0|1,0,0]=3 1514 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [1,1,0,0,0,0|1,0,0]=3 1515 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [1,1,0,0,0,0|1,0,0]=3 1516 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [1,1,0,0,0,0|1,0,0]=3 1517 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [1,1,0,0,0,0|1,0,0]=3 1518 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [1,1,0,0,0,0|1,0,0]=3 1519 B9R0.35 CCNC(=O)C(C)SCF 62a_100000230173_100015361967 [1,1,0,0,0,0|2,0,0]=4 1520 B9R0.35 CCNC(=O)C(C)SCF 62a_100015361967_100000230173 [1,1,0,0,0,0|2,0,0]=4 1521 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [1,1,0,0,0,0|2,0,0]=4 1522 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [1,1,0,0,0,0|2,0,0]=4 1523 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [1,1,0,0,0,0|0,0,0]=2 1524 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [1,1,0,0,0,0|1,0,0]=3 1525 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [1,1,0,0,0,0|0,1,0]=3 1526 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [1,1,0,0,0,0|1,0,1]=4 1527 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [1,1,0,0,0,0|1,0,1]=4 1528 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [1,1,0,0,0,0|1,0,1]=4 1529 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [1,1,0,0,0,0|1,0,1]=4 1530 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [1,1,0,0,0,0|0,0,0]=2 1531 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [1,1,0,0,0,0|0,0,0]=2 1532 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [1,1,0,0,0,0|0,0,0]=2 1533 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [1,1,0,0,0,0|1,0,0]=3 1534 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [1,1,0,0,0,0|1,0,0]=3 1535 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [1,1,0,0,0,0|1,0,0]=3 1536 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [1,1,0,0,0,0|1,0,0]=3 1537 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [1,1,0,0,0,0|1,0,0]=3 1538 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [1,1,0,0,0,0|2,0,0]=4 1539 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [1,1,0,0,0,0|2,0,0]=4 1540 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [1,1,0,0,0,0|0,0,0]=2 1541 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [1,1,0,0,0,0|1,0,0]=3 1542 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [1,1,0,0,0,0|2,0,0]=4 1543 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [1,1,0,0,0,0|2,0,0]=4 1544 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [1,1,0,0,0,0|2,0,0]=4 1545 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [1,1,0,0,0,0|2,0,0]=4 1546 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [1,1,0,0,0,0|2,0,0]=4 1547 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [1,1,0,0,0,0|2,0,0]=4 1548 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [1,1,0,0,0,0|2,0,0]=4 1549 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [1,1,0,0,0,0|2,0,0]=4 1550 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [1,1,0,0,0,0|2,0,0]=4 1551 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [1,1,0,0,0,0|2,0,0]=4 1552 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [1,1,0,0,0,0|2,0,0]=4 1553 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [1,1,0,0,0,0|2,0,0]=4 1554 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [1,1,0,0,0,0|2,0,0]=4 1555 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [1,1,0,0,0,0|2,0,0]=4 1556 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [1,1,0,0,0,0|2,0,0]=4 1557 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [1,1,0,0,0,0|2,0,0]=4 1558 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [1,1,0,0,0,0|2,0,0]=4 1559 B9R0.37 CC#CC(=O)C(CC)CC 1458a_100000763181_100000210505 [1,1,0,0,0,0|1,0,1]=4 1560 B9R0.37 CC=CC(=O)C(CC)CC 1458a_100000210699_100000210505 [1,1,0,0,0,0|1,0,1]=4 1561 B9R0.37 CCC(CC)C(=O)CCF 1458a_100000211163_100011217306 [1,1,0,0,0,0|2,0,0]=4 1562 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [1,1,0,0,0,0|2,0,0]=4 1563 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [1,1,0,0,0,0|2,0,0]=4 1564 B9R0.37 CCC(CC)C(=O)COC 1458a_100000210968_100000210505 [1,1,0,0,0,0|2,0,0]=4 1565 B9R0.37 CCC(CC)C(=O)CSC 1458a_100000184570_100000210505 [1,1,0,0,0,0|2,0,0]=4 1566 B9R0.37 CCC(CC)C(=O)NNC 22a_100016993582_100000211163 [1,1,0,0,0,0|2,0,0]=4 1567 B9R0.37 CCC(OC)C(=O)CCF 1458a_100000747056_100011217306 [1,1,0,0,0,0|2,0,0]=4 1568 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [1,1,0,0,0,0|2,0,0]=4 1569 B9R0.37 CCC(OC)C(=O)NNC 22a_100016993582_100000747056 [1,1,0,0,0,0|2,0,0]=4 1570 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [1,1,0,0,0,0|1,0,0]=3 1571 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [1,1,0,0,0,0|1,0,0]=3 1572 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [1,1,0,0,0,0|1,0,0]=3 1573 B9R0.37 CCCC(=O)C(OC)OC 1458a_100000046285_100000210303 [1,1,0,0,0,0|2,0,0]=4 1574 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 1575 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 1576 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 1577 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 1578 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [1,1,0,0,0,0|1,0,0]=3 1579 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [1,1,0,0,0,0|1,0,0]=3 1580 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [1,1,0,0,0,0|1,0,0]=3 1581 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [1,1,0,0,0,0|1,0,0]=3 1582 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [1,1,0,0,0,0|1,0,0]=3 1583 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [1,1,0,0,0,0|1,0,0]=3 1584 B9R0.37 CCNC(=O)C(OC)OC 11a_100015525214_100000046285 [1,1,0,0,0,0|2,0,0]=4 1585 B9R0.37 CCNC(=O)C(OC)OC 240690a_100015525214_100000046285 [1,1,0,0,0,0|2,0,0]=4 1586 B9R0.37 CCNC(=O)C(OC)OC 527a_100015525214_100000046285 [1,1,0,0,0,0|2,0,0]=4 1587 B9R0.37 CCNC(=O)N(CC)CC 2708a_100015525214_100000724800 [1,1,0,0,0,0|2,0,0]=4 1588 B9R0.37 CCNC(=O)N(CC)CC 273464a_100015525214_100000724800 [1,1,0,0,0,0|2,0,0]=4 1589 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [1,1,0,0,0,0|0,0,2]=4 1590 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [1,1,0,0,0,0|0,0,2]=4 1591 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [1,1,0,0,0,0|0,0,2]=4 1592 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [1,1,0,0,0,0|0,0,2]=4 1593 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [1,1,0,0,0,0|0,0,0]=2 1594 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [1,1,0,0,0,0|0,0,0]=2 1595 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [1,1,0,0,0,0|0,0,0]=2 1596 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [1,1,0,0,0,0|0,0,0]=2 1597 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [1,1,0,0,0,0|0,0,0]=2 1598 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [1,1,0,0,0,0|0,0,0]=2 1599 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [1,1,0,0,0,0|0,0,0]=2 1600 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [1,1,0,0,0,0|0,0,0]=2 1601 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [1,1,0,0,0,0|0,0,0]=2 1602 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [1,1,0,0,0,0|0,0,0]=2 1603 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [1,1,0,0,0,0|0,0,0]=2 1604 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [1,1,0,0,0,0|0,0,0]=2 1605 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [1,1,0,0,0,0|1,0,0]=3 1606 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [1,1,0,0,0,0|1,0,0]=3 1607 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [1,1,0,0,0,0|1,0,0]=3 1608 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [1,1,0,0,0,0|1,0,0]=3 1609 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [1,1,0,0,0,0|1,0,0]=3 1610 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [1,1,0,0,0,0|1,0,0]=3 1611 B9R0.60 CCNS(=O)(=O)C(C)CC 270084a_100015525214_100000685195 [1,1,0,0,0,0|2,0,0]=4 1612 B9R0.60 CCNS(=O)(=O)C(C)CC 274078a_100015525214_100000685195 [1,1,0,0,0,0|2,0,0]=4 1613 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [1,1,0,0,0,0|1,0,1]=4 1614 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [1,1,0,0,0,0|1,0,1]=4 1615 B9R0.4 C#CCNC(=O)C[C@@H](C)O 240690a_100000212058_100011933948 [1,1,0,0,0,0|1,0,1]=4 1616 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [1,1,0,0,0,0|1,0,1]=4 1617 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [1,1,0,0,0,0|1,0,1]=4 1618 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [1,1,0,0,0,0|1,0,1]=4 1619 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [1,1,0,0,0,0|1,0,1]=4 1620 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [1,1,0,0,0,0|1,0,1]=4 1621 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [1,1,0,0,0,0|1,0,1]=4 1622 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [1,1,0,0,0,0|2,0,0]=4 1623 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [1,1,0,0,0,0|2,0,0]=4 1624 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 1625 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 1626 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 1627 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 1628 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [1,1,0,0,0,0|2,0,0]=4 1629 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [1,1,0,0,0,0|2,0,0]=4 1630 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [1,1,0,0,0,0|2,0,0]=4 1631 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [1,1,0,0,0,0|2,0,0]=4 1632 B9R0.4 CC(O)CC(=O)C#CCO 1458a_100000049017_100011218427 [1,1,0,0,0,0|1,0,1]=4 1633 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [1,1,0,0,0,0|1,0,1]=4 1634 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [1,1,0,0,0,0|1,0,1]=4 1635 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [1,1,0,0,0,0|1,0,1]=4 1636 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [1,1,0,0,0,0|2,0,0]=4 1637 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [1,1,0,0,0,0|1,0,0]=3 1638 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [1,1,0,0,0,0|2,0,0]=4 1639 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [1,1,0,0,0,0|1,0,0]=3 1640 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|2,0,0]=4 1641 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|2,0,0]=4 1642 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|1,0,0]=3 1643 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|1,0,0]=3 1644 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 1645 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 1646 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 1647 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 1648 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,1,0,0,0,0|1,0,0]=3 1649 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [1,1,0,0,0,0|0,0,2]=4 1650 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [1,1,0,0,0,0|2,0,0]=4 1651 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [1,1,0,0,0,0|2,0,0]=4 1652 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [1,1,0,0,0,0|2,0,0]=4 1653 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [1,1,0,0,0,0|1,0,0]=3 1654 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [1,1,0,0,0,0|1,0,0]=3 1655 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,1,0,0,0,0|0,0,0]=2 1656 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [1,1,0,0,0,0|2,0,0]=4 1657 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 1658 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 1659 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 1660 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [1,1,0,0,0,0|2,0,0]=4 1661 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 1662 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,1,0,0,0,0|2,0,0]=4 1663 B9R0.4 CCOCN(C)CC(C)O 269982a_100000227577_100000739092 [1,1,0,0,0,0|2,0,0]=4 1664 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [1,1,0,0,0,0|1,1,0]=4 1665 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,1,0,0,0,0|0,1,0]=3 1666 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [1,1,0,0,0,0|1,0,1]=4 1667 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [1,1,0,0,0,0|2,0,0]=4 1668 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [1,1,0,0,0,0|2,0,0]=4 1669 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,1,0,0,0,0|1,0,0]=3 1670 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,1,0,0,0,0|1,0,0]=3 1671 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [1,1,0,0,0,0|2,0,0]=4 1672 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [1,1,0,0,0,0|2,0,0]=4 1673 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,1,0,0,0,0|1,0,0]=3 1674 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,1,0,0,0,0|1,0,0]=3 1675 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [1,1,0,0,0,0|2,0,0]=4 1676 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [1,1,0,0,0,0|2,0,0]=4 1677 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [1,1,0,0,0,0|1,0,1]=4 1678 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,1,0,0,0,0|1,0,0]=3 1679 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,1,0,0,0,0|1,0,0]=3 1680 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [1,1,0,0,0,0|1,0,0]=3 1681 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [1,1,0,0,0,0|1,0,0]=3 1682 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [1,1,0,0,0,0|2,0,0]=4 1683 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [1,1,0,0,0,0|2,0,0]=4 1684 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [1,1,0,0,0,0|2,0,0]=4 1685 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [1,1,0,0,0,0|2,0,0]=4 1686 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [1,1,0,0,0,0|1,0,1]=4 1687 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [1,1,0,0,0,0|1,0,1]=4 1688 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [1,1,0,0,0,0|1,0,1]=4 1689 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [1,1,0,0,0,0|1,0,1]=4 1690 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [1,1,0,0,0,0|2,0,0]=4 1691 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [1,1,0,0,0,0|2,0,0]=4 1692 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [1,1,0,0,0,0|2,0,0]=4 1693 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [1,1,0,0,0,0|2,0,0]=4 1694 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [1,1,0,0,0,0|2,0,0]=4 1695 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [1,1,0,0,0,0|2,0,0]=4 1696 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,1,0,0,0,0|2,0,0]=4 1697 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,1,0,0,0,0|2,0,0]=4 1698 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,1,0,0,0,0|1,0,0]=3 1699 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,1,0,0,0,0|1,0,0]=3 1700 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,1,0,0,0,0|2,0,0]=4 1701 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,1,0,0,0,0|1,0,0]=3 1702 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [1,1,0,0,0,0|2,0,0]=4 1703 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [1,1,0,0,0,0|2,0,0]=4 1704 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,1,0,0,0,0|2,0,0]=4 1705 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,1,0,0,0,0|2,0,0]=4 1706 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,1,0,0,0,0|2,0,0]=4 1707 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,1,0,0,0,0|1,0,0]=3 1708 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [1,1,0,0,0,0|2,0,0]=4 1709 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [1,1,0,0,0,0|2,0,0]=4 1710 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [1,1,0,0,0,0|2,0,0]=4 1711 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [1,1,0,0,0,0|2,0,0]=4 1712 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,1,0,0,0,0|0,0,2]=4 1713 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,1,0,0,0,0|0,0,2]=4 1714 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [1,1,0,0,0,0|0,0,2]=4 1715 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [1,1,0,0,0,0|0,0,2]=4 1716 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [1,1,0,0,0,0|0,0,2]=4 1717 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,1,0,0,0,0|1,0,0]=3 1718 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,1,0,0,0,0|1,0,0]=3 1719 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,1,0,0,0,0|0,1,0]=3 1720 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,1,0,0,0,0|0,1,0]=3 1721 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,1,0,0,0,0|0,1,0]=3 1722 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,1,0,0,0,0|0,1,0]=3 1723 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,1,0,0,0,0|2,0,0]=4 1724 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,1,0,0,0,0|2,0,0]=4 1725 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,1,0,0,0,0|2,0,0]=4 1726 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,1,0,0,0,0|2,0,0]=4 1727 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,1,0,0,0,0|2,0,0]=4 1728 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,1,0,0,0,0|2,0,0]=4 1729 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,1,0,0,0,0|2,0,0]=4 1730 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,1,0,0,0,0|0,0,0]=2 1731 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,1,0,0,0,0|0,0,0]=2 1732 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [1,1,0,0,0,0|1,1,0]=4 1733 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [1,1,0,0,0,0|1,1,0]=4 1734 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [1,1,0,0,0,0|1,1,0]=4 1735 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [1,1,0,0,0,0|1,1,0]=4 1736 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [1,1,0,0,0,0|2,0,0]=4 1737 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [1,1,0,0,0,0|2,0,0]=4 1738 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [1,1,0,0,0,0|2,0,0]=4 1739 B9R0.44 CC(C)(O)CC(=O)CCF 1458a_100000693243_100011217306 [1,1,0,0,0,0|2,0,0]=4 1740 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [1,1,0,0,0,0|2,0,0]=4 1741 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [1,1,0,0,0,0|2,0,0]=4 1742 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [1,1,0,0,0,0|1,0,0]=3 1743 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [1,1,0,0,0,0|2,0,0]=4 1744 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [1,1,0,0,0,0|2,0,0]=4 1745 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [1,1,0,0,0,0|2,0,0]=4 1746 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [1,1,0,0,0,0|1,0,0]=3 1747 B9R0.44 CNNC(=O)CC(C)(C)O 22a_100016993582_100000693243 [1,1,0,0,0,0|2,0,0]=4 1748 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [1,1,0,0,0,0|1,0,1]=4 1749 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [1,1,0,0,0,0|1,0,1]=4 1750 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [1,1,0,0,0,0|1,0,1]=4 1751 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [1,1,0,0,0,0|1,0,1]=4 1752 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [1,1,0,0,0,0|0,0,2]=4 1753 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [1,1,0,0,0,0|2,0,0]=4 1754 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [1,1,0,0,0,0|1,0,0]=3 1755 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [1,1,0,0,0,0|1,0,0]=3 1756 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [1,1,0,0,0,0|2,0,0]=4 1757 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [1,1,0,0,0,0|2,0,0]=4 1758 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [1,1,0,0,0,0|2,0,0]=4 1759 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [1,1,0,0,0,0|2,0,0]=4 1760 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [1,1,0,0,0,0|1,0,0]=3 1761 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [1,1,0,0,0,0|2,0,0]=4 1762 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [1,1,0,0,0,0|2,0,0]=4 1763 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [1,1,0,0,0,0|2,0,0]=4 1764 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [1,1,0,0,0,0|1,0,0]=3 1765 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [1,1,0,0,0,0|2,0,0]=4 1766 B9R0.53 C[C@@H](O)CC(=O)CC(F)F 1458a_100011933948_100011934356 [1,1,0,0,0,0|2,0,0]=4 1767 B9R0.3 CCCNC(C)C(C)(C)O 269862a_100020643023_100000747739 [1,1,0,0,0,0|2,0,0]=4 1768 B9R0.3 CCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210303 [1,1,0,0,0,0|2,0,0]=4 1769 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210303 [1,1,0,0,0,0|2,0,0]=4 1770 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210303 [1,1,0,0,0,0|2,0,0]=4 1771 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210303 [1,1,0,0,0,0|2,0,0]=4 1772 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210303 [1,1,0,0,0,0|2,0,0]=4 1773 B9R0.13 CCOCC(CC)C(C)C 34a_100011995916_100000210202 [1,1,0,0,0,0|1,0,1]=4 1774 B9R0.13 CCOCC(CC)C(C)C 7a_100011995916_100000210202 [1,1,0,0,0,0|1,0,1]=4 1775 B9R0.13 CCOCC(CN)C(C)C 34a_100000692819_100000210202 [1,1,0,0,0,0|1,0,1]=4 1776 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 11a_200160471154_100000211992 [0,1,0,0,0,1|2,0,0]=4 1777 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 1626a_200160471154_100000211992 [0,1,0,0,0,1|2,0,0]=4 1778 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 240690a_200160471154_100000211992 [0,1,0,0,0,1|2,0,0]=4 1779 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 527a_200160471154_100000211992 [0,1,0,0,0,1|2,0,0]=4 1780 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 2708a_100015525214_200160471154 [0,1,0,0,0,1|2,0,0]=4 1781 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 273464a_100015525214_200160471154 [0,1,0,0,0,1|2,0,0]=4 1782 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 512a_100015525214_200160471154 [0,1,0,0,0,1|2,0,0]=4 1783 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 512a_200160471154_100015525214 [0,1,0,0,0,1|2,0,0]=4 1784 B11R0.33 CC(=O)C(C)OC(=O)OC(C)C 1458a_100000070787_100000067433 [0,1,0,0,0,1|0,0,2]=4 1785 B11R0.33 CC(C)C(C)NC(=O)C[C@@H](C)O 240690a_100000211541_100011933948 [0,1,0,0,0,1|2,0,0]=4 1786 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 11a_100000211541_100000210554 [0,1,0,0,0,1|2,0,0]=4 1787 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 1626a_100000211541_100000210554 [0,1,0,0,0,1|2,0,0]=4 1788 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 240690a_100000211541_100000210554 [0,1,0,0,0,1|2,0,0]=4 1789 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 527a_100000211541_100000210554 [0,1,0,0,0,1|2,0,0]=4 1790 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 2708a_100000211541_100138425928 [0,1,0,0,0,1|2,0,0]=4 1791 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 2708a_100138425928_100000211541 [0,1,0,0,0,1|2,0,0]=4 1792 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 273464a_100138425928_100000211541 [0,1,0,0,0,1|2,0,0]=4 1793 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 512a_100000211541_100138425928 [0,1,0,0,0,1|2,0,0]=4 1794 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 512a_100138425928_100000211541 [0,1,0,0,0,1|2,0,0]=4 1795 B11R0.33 CC(C)OC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100011215430 [0,1,0,0,0,1|1,0,1]=4 1796 B11R0.33 CC(C)OC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100011215430 [0,1,0,0,0,1|1,0,1]=4 1797 B11R0.33 CC(C)OC(=O)CN(C)C(C)C 269982a_200000211004_100011215430 [0,1,0,0,0,1|2,0,0]=4 1798 B11R0.33 CC(C)OC(=O)OC(C)N(C)C 269982a_100102631434_100000067433 [0,1,0,0,0,1|2,0,0]=4 1799 B11R0.54 CC=CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000210699 [0,1,0,0,0,1|1,0,1]=4 1800 B11R0.54 CC=CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000210699 [0,1,0,0,0,1|1,0,1]=4 1801 B11R0.54 CC=CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100000210699 [0,1,0,0,0,1|1,0,1]=4 1802 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000211992 [0,1,0,0,0,1|1,0,0]=3 1803 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000211992 [0,1,0,0,0,1|1,0,0]=3 1804 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100000211992 [0,1,0,0,0,1|1,0,0]=3 1805 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100000211992 [0,1,0,0,0,1|1,0,0]=3 1806 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100000211992 [0,1,0,0,0,1|2,0,0]=4 1807 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100000211992 [0,1,0,0,0,1|2,0,0]=4 1808 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100000211992 [0,1,0,0,0,1|2,0,0]=4 1809 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100000211992 [0,1,0,0,0,1|2,0,0]=4 1810 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 2708a_100015525214_100025708725 [0,1,0,0,0,1|1,0,0]=3 1811 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 273464a_100015525214_100025708725 [0,1,0,0,0,1|1,0,0]=3 1812 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 512a_100015525214_100025708725 [0,1,0,0,0,1|1,0,0]=3 1813 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 512a_100025708725_100015525214 [0,1,0,0,0,1|1,0,0]=3 1814 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 2708a_100015525214_100025703359 [0,1,0,0,0,1|2,0,0]=4 1815 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 2708a_100025703359_100015525214 [0,1,0,0,0,1|2,0,0]=4 1816 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 273464a_100015525214_100025703359 [0,1,0,0,0,1|2,0,0]=4 1817 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 512a_100015525214_100025703359 [0,1,0,0,0,1|2,0,0]=4 1818 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 512a_100025703359_100015525214 [0,1,0,0,0,1|2,0,0]=4 1819 B11R0.54 CCOC(=O)CC(=O)C(C)(C)O 1458a_100000242741_100000188475 [0,1,0,0,0,1|1,0,1]=4 1820 B11R0.54 CCOC(=O)CN(C)C(C)(C)C 2230a_100000745656_200000210301 [0,1,0,0,0,1|2,0,0]=4 1821 B11R0.54 CCOC(=O)CN(C)C(C)(C)C 269982a_100000745656_200000210301 [0,1,0,0,0,1|2,0,0]=4 1822 B11R0.54 CCOC(=O)CN(C)C(C)(C)C 269982a_100011215553_100000188475 [0,1,0,0,0,1|2,0,0]=4 1823 B11R0.54 CCOC(=O)CN([13CH3])C(C)(C)C 2230a_100000745656_200025704644 [0,1,0,0,0,1|2,0,0]=4 1824 B11R0.54 CCOC(=O)CN([13CH3])C(C)(C)C 269982a_100000745656_200025704644 [0,1,0,0,0,1|2,0,0]=4 1825 B11R0.54 CNNC(=O)N[C@@H](C)C(C)(C)O 512a_100016993582_100025708725 [0,1,0,0,0,1|2,0,0]=4 1826 B11R0.54 CNNC(=O)N[C@@H](C)C(C)(C)O 512a_100025708725_100016993582 [0,1,0,0,0,1|2,0,0]=4 1827 B11R0.54 COCC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000210968 [0,1,0,0,0,1|2,0,0]=4 1828 B11R0.54 COCC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000210968 [0,1,0,0,0,1|2,0,0]=4 1829 B11R0.54 COCC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100000210968 [0,1,0,0,0,1|2,0,0]=4 1830 B11R0.54 COCC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100000210968 [0,1,0,0,0,1|2,0,0]=4 1831 B11R0.54 CSCC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000184570 [0,1,0,0,0,1|2,0,0]=4 1832 B11R0.54 CSCC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000184570 [0,1,0,0,0,1|2,0,0]=4 1833 B11R0.54 CSCC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100000184570 [0,1,0,0,0,1|2,0,0]=4 1834 B11R0.54 CSCC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100000184570 [0,1,0,0,0,1|2,0,0]=4 1835 B11R0.54 C[C@H](NC(=O)CCO)C(C)(C)O 240690a_100025708725_100011216618 [0,1,0,0,0,1|2,0,0]=4 1836 B11R0.55 CC=CC(=O)N[C@@H](CC)[C@@H](C)O 11a_100161114882_100000210699 [0,1,0,0,0,1|1,0,1]=4 1837 B11R0.55 CC=CC(=O)N[C@@H](CC)[C@@H](C)O 1626a_100161114882_100000210699 [0,1,0,0,0,1|1,0,1]=4 1838 B11R0.55 CC=CC(=O)N[C@@H](CC)[C@@H](C)O 240690a_100161114882_100000210699 [0,1,0,0,0,1|1,0,1]=4 1839 B11R0.55 CC=CC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100000210699 [0,1,0,0,0,1|1,0,1]=4 1840 B11R0.55 CCCC(=O)NC(CC)C(C)C 11a_100000745074_100000211992 [0,1,0,0,0,1|2,0,0]=4 1841 B11R0.55 CCCC(=O)NC(CC)C(C)C 1626a_100000745074_100000211992 [0,1,0,0,0,1|2,0,0]=4 1842 B11R0.55 CCCC(=O)NC(CC)C(C)C 240690a_100000745074_100000211992 [0,1,0,0,0,1|2,0,0]=4 1843 B11R0.55 CCCC(=O)NC(CC)C(C)C 527a_100000745074_100000211992 [0,1,0,0,0,1|2,0,0]=4 1844 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 11a_100161114882_100000211992 [0,1,0,0,0,1|1,0,0]=3 1845 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 1626a_100161114882_100000211992 [0,1,0,0,0,1|1,0,0]=3 1846 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 240690a_100161114882_100000211992 [0,1,0,0,0,1|1,0,0]=3 1847 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 527a_100161114882_100000211992 [0,1,0,0,0,1|1,0,0]=3 1848 B11R0.55 CCCC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100000211992 [0,1,0,0,0,1|2,0,0]=4 1849 B11R0.55 CCCC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100000211992 [0,1,0,0,0,1|2,0,0]=4 1850 B11R0.55 CCCC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100000211992 [0,1,0,0,0,1|1,0,0]=3 1851 B11R0.55 CCCC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100000211992 [0,1,0,0,0,1|1,0,0]=3 1852 B11R0.55 CCNC(=O)NC(CC)C(C)C 2708a_100000745074_100015525214 [0,1,0,0,0,1|2,0,0]=4 1853 B11R0.55 CCNC(=O)NC(CC)C(C)C 2708a_100015525214_100000745074 [0,1,0,0,0,1|2,0,0]=4 1854 B11R0.55 CCNC(=O)NC(CC)C(C)C 273464a_100000745074_100015525214 [0,1,0,0,0,1|2,0,0]=4 1855 B11R0.55 CCNC(=O)NC(CC)C(C)C 273464a_100015525214_100000745074 [0,1,0,0,0,1|2,0,0]=4 1856 B11R0.55 CCNC(=O)NC(CC)C(C)C 512a_100000745074_100015525214 [0,1,0,0,0,1|2,0,0]=4 1857 B11R0.55 CCNC(=O)NC(CC)C(C)C 512a_100015525214_100000745074 [0,1,0,0,0,1|2,0,0]=4 1858 B11R0.55 CCNC(=O)N[C@@H](CC)[C@@H](C)O 2708a_100015525214_100161114882 [0,1,0,0,0,1|1,0,0]=3 1859 B11R0.55 CCNC(=O)N[C@@H](CC)[C@@H](C)O 512a_100015525214_100161114882 [0,1,0,0,0,1|1,0,0]=3 1860 B11R0.55 CCNC(=O)N[C@@H](CC)[C@@H](C)O 512a_100161114882_100015525214 [0,1,0,0,0,1|1,0,0]=3 1861 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 2708a_100015525214_100011830312 [0,1,0,0,0,1|2,0,0]=4 1862 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 273464a_100011830312_100015525214 [0,1,0,0,0,1|2,0,0]=4 1863 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 273464a_100015525214_100011830312 [0,1,0,0,0,1|2,0,0]=4 1864 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 512a_100011830312_100015525214 [0,1,0,0,0,1|2,0,0]=4 1865 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 512a_100015525214_100011830312 [0,1,0,0,0,1|2,0,0]=4 1866 B11R0.55 CCNC(=O)N[C@H](CO)[C@@H](C)O 2708a_100015525214_100015196842 [0,1,0,0,0,1|1,0,0]=3 1867 B11R0.55 CCNC(=O)N[C@H](CO)[C@@H](C)O 512a_100015196842_100015525214 [0,1,0,0,0,1|1,0,0]=3 1868 B11R0.55 CCNC(=O)N[C@H](CO)[C@@H](C)O 512a_100015525214_100015196842 [0,1,0,0,0,1|1,0,0]=3 1869 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000220607_100000210206 [0,1,0,0,0,1|2,0,0]=4 1870 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000223864_100000188475 [0,1,0,0,0,1|2,0,0]=4 1871 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000717205_100000210202 [0,1,0,0,0,1|2,0,0]=4 1872 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000220607_100000210206 [0,1,0,0,0,1|2,0,0]=4 1873 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000223864_100000188475 [0,1,0,0,0,1|2,0,0]=4 1874 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000717205_100000204670 [0,1,0,0,0,1|2,0,0]=4 1875 B11R0.55 CCOC(=O)CN(CF)C(C)C 269982a_100000717205_100015361967 [0,1,0,0,0,1|2,0,0]=4 1876 B11R0.55 CC[C@H](NC(=O)CCO)[C@@H](C)O 240690a_100161114882_100011216618 [0,1,0,0,0,1|2,0,0]=4 1877 B11R0.55 CC[C@H](NC(=O)COC)[C@@H](C)O 11a_100161114882_100000210968 [0,1,0,0,0,1|2,0,0]=4 1878 B11R0.55 CC[C@H](NC(=O)COC)[C@@H](C)O 1626a_100161114882_100000210968 [0,1,0,0,0,1|2,0,0]=4 1879 B11R0.55 CC[C@H](NC(=O)COC)[C@@H](C)O 240690a_100161114882_100000210968 [0,1,0,0,0,1|2,0,0]=4 1880 B11R0.55 CC[C@H](NC(=O)COC)[C@@H](C)O 527a_100161114882_100000210968 [0,1,0,0,0,1|2,0,0]=4 1881 B11R0.55 CC[C@H](NC(=O)CSC)[C@@H](C)O 11a_100161114882_100000184570 [0,1,0,0,0,1|2,0,0]=4 1882 B11R0.55 CC[C@H](NC(=O)CSC)[C@@H](C)O 1626a_100161114882_100000184570 [0,1,0,0,0,1|2,0,0]=4 1883 B11R0.55 CC[C@H](NC(=O)CSC)[C@@H](C)O 240690a_100161114882_100000184570 [0,1,0,0,0,1|2,0,0]=4 1884 B11R0.55 CC[C@H](NC(=O)CSC)[C@@H](C)O 527a_100161114882_100000184570 [0,1,0,0,0,1|2,0,0]=4 1885 B11R0.55 CC[C@H](NC(=O)NNC)[C@@H](C)O 512a_100016993582_100161114882 [0,1,0,0,0,1|2,0,0]=4 1886 B11R0.55 CC[C@H](NC(=O)NNC)[C@@H](C)O 512a_100161114882_100016993582 [0,1,0,0,0,1|2,0,0]=4 1887 B11R0.55 CNNC(=O)N[C@H](CO)[C@@H](C)O 512a_100015196842_100016993582 [0,1,0,0,0,1|2,0,0]=4 1888 B11R0.55 CNNC(=O)N[C@H](CO)[C@@H](C)O 512a_100016993582_100015196842 [0,1,0,0,0,1|2,0,0]=4 1889 B11R0.55 COCC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100000210968 [0,1,0,0,0,1|2,0,0]=4 1890 B11R0.55 COCC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100000210968 [0,1,0,0,0,1|2,0,0]=4 1891 B11R0.55 CSCC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100000184570 [0,1,0,0,0,1|2,0,0]=4 1892 B11R0.55 CSCC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100000184570 [0,1,0,0,0,1|2,0,0]=4 1893 B11R0.55 C[C@@H](O)[C@@H](CO)NC(=O)CCO 240690a_100015196842_100011216618 [0,1,0,0,0,1|2,0,0]=4 1894 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 11a_100000228512_100000211992 [0,1,0,0,0,1|2,0,0]=4 1895 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 1626a_100000228512_100000211992 [0,1,0,0,0,1|2,0,0]=4 1896 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 240690a_100000228512_100000211992 [0,1,0,0,0,1|2,0,0]=4 1897 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 527a_100000228512_100000211992 [0,1,0,0,0,1|2,0,0]=4 1898 B11R0.58 CCNC(=O)N(C)C(C)C(C)C 2708a_100015525214_100000228512 [0,1,0,0,0,1|2,0,0]=4 1899 B11R0.58 CCNC(=O)N(C)C(C)C(C)C 273464a_100015525214_100000228512 [0,1,0,0,0,1|2,0,0]=4 1900 B11R0.58 CCOC(=O)C(=O)C(C)N(C)C 2230a_100102631434_100010256902 [0,1,0,0,0,1|2,0,0]=4 1901 B11R0.58 CCOC(=O)C(=O)C(C)N(C)C 269982a_100102631434_100010256902 [0,1,0,0,0,1|2,0,0]=4 1902 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 11a_200000211004_100014798877 [0,1,0,0,0,1|2,0,0]=4 1903 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 1626a_200000211004_100014798877 [0,1,0,0,0,1|2,0,0]=4 1904 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 240690a_200000211004_100014798877 [0,1,0,0,0,1|2,0,0]=4 1905 B11R0.58 CCOC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100011216346 [0,1,0,0,0,1|1,0,1]=4 1906 B11R0.58 CCOC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100011216346 [0,1,0,0,0,1|1,0,1]=4 1907 B11R0.58 CCOC(=O)C(C)N(C)C(C)C 269982a_200000211004_100011216346 [0,1,0,0,0,1|2,0,0]=4 1908 B11R0.58 CCOC(=O)C(F)C(=O)[C@@H](C)O 1458a_100000717761_100000760018 [0,1,0,0,0,1|1,0,1]=4 1909 B11R0.58 CCOC(=O)C(F)C(=O)[C@H](C)O 1458a_217856618621_100000760018 [0,1,0,0,0,1|1,0,1]=4 1910 B11R0.58 CCOC(=O)C(F)N(C)C(C)C 269982a_200000211004_100000760018 [0,1,0,0,0,1|2,0,0]=4 1911 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 11a_100000211541_100011192722 [0,1,0,0,0,1|2,0,0]=4 1912 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 1626a_100000211541_100011192722 [0,1,0,0,0,1|2,0,0]=4 1913 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 240690a_100000211541_100011192722 [0,1,0,0,0,1|2,0,0]=4 1914 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 527a_100000211541_100011192722 [0,1,0,0,0,1|2,0,0]=4 1915 B11R0.117 CCC(O)C(=O)NC(C)C(C)C 240690a_100000211541_100011196387 [0,1,0,0,0,1|2,0,0]=4 1916 B11R0.117 CCN(C)C(=O)NC(C)C(C)C 2708a_100000211541_100000225621 [0,1,0,0,0,1|2,0,0]=4 1917 B11R0.117 CCN(C)C(=O)NC(C)C(C)C 273464a_100000211541_100000225621 [0,1,0,0,0,1|2,0,0]=4 1918 B11R0.163 CC(C)C(C)NC(=O)NCCF 2708a_100000211541_100000724931 [0,1,0,0,0,1|2,0,0]=4 1919 B11R0.163 CC(C)C(C)NC(=O)NCCF 273464a_100000211541_100000724931 [0,1,0,0,0,1|2,0,0]=4 1920 B11R0.163 CC(C)C(C)NC(=O)NCCF 273464a_100000724931_100000211541 [0,1,0,0,0,1|2,0,0]=4 1921 B11R0.163 CC(C)C(C)NC(=O)NCCF 512a_100000211541_100000724931 [0,1,0,0,0,1|2,0,0]=4 1922 B11R0.163 CC(C)C(C)NC(=O)NCCO 2708a_100000211541_100000210304 [0,1,0,0,0,1|2,0,0]=4 1923 B11R0.163 CC(C)C(C)NC(=O)NCCO 273464a_100000210304_100000211541 [0,1,0,0,0,1|2,0,0]=4 1924 B11R0.163 CC(C)C(C)NC(=O)NCCO 273464a_100000211541_100000210304 [0,1,0,0,0,1|2,0,0]=4 1925 B11R0.163 CC(C)C(C)NC(=O)NCCO 512a_100000211541_100000210304 [0,1,0,0,0,1|2,0,0]=4 1926 B11R0.163 CCC=CC(=O)NC(C)C(C)C 11a_100000211541_100000212282 [0,1,0,0,0,1|2,0,0]=4 1927 B11R0.163 CCC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000212282 [0,1,0,0,0,1|2,0,0]=4 1928 B11R0.163 CCC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000212282 [0,1,0,0,0,1|2,0,0]=4 1929 B11R0.163 CCCCC(=O)NC(C)C(C)C 11a_100000211541_100000210183 [0,1,0,0,0,1|2,0,0]=4 1930 B11R0.163 CCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000210183 [0,1,0,0,0,1|2,0,0]=4 1931 B11R0.163 CCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000210183 [0,1,0,0,0,1|2,0,0]=4 1932 B11R0.163 CCCCC(=O)NC(C)C(C)C 527a_100000211541_100000210183 [0,1,0,0,0,1|2,0,0]=4 1933 B11R0.163 CCCNC(=O)NC(C)C(C)C 2708a_100000211541_100020643023 [0,1,0,0,0,1|2,0,0]=4 1934 B11R0.163 CCCNC(=O)NC(C)C(C)C 2708a_100020643023_100000211541 [0,1,0,0,0,1|2,0,0]=4 1935 B11R0.163 CCCNC(=O)NC(C)C(C)C 273464a_100000211541_100020643023 [0,1,0,0,0,1|2,0,0]=4 1936 B11R0.163 CCCNC(=O)NC(C)C(C)C 273464a_100020643023_100000211541 [0,1,0,0,0,1|2,0,0]=4 1937 B11R0.163 CCCNC(=O)NC(C)C(C)C 512a_100000211541_100020643023 [0,1,0,0,0,1|2,0,0]=4 1938 B11R0.163 CCCNC(=O)NC(C)C(C)C 512a_100020643023_100000211541 [0,1,0,0,0,1|2,0,0]=4 1939 B11R0.163 CCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200011215008 [0,1,0,0,0,1|1,0,1]=4 1940 B11R0.163 CCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200011215008 [0,1,0,0,0,1|1,0,1]=4 1941 B11R0.163 CCCOC(=O)CN(C)C(C)C 269982a_200000211004_200011215008 [0,1,0,0,0,1|2,0,0]=4 1942 B11R0.163 CCNNC(=O)NC(C)C(C)C 273464a_100000211541_100000756455 [0,1,0,0,0,1|2,0,0]=4 1943 B11R0.163 CCNNC(=O)NC(C)C(C)C 512a_100000211541_100000756455 [0,1,0,0,0,1|2,0,0]=4 1944 B11R0.163 CCNNC(=O)NC(C)C(C)C 512a_100000756455_100000211541 [0,1,0,0,0,1|2,0,0]=4 1945 B11R0.163 CCOCC(=O)NC(C)C(C)C 11a_100000211541_100000211967 [0,1,0,0,0,1|1,0,0]=3 1946 B11R0.163 CCOCC(=O)NC(C)C(C)C 1626a_100000211541_100000211967 [0,1,0,0,0,1|1,0,0]=3 1947 B11R0.163 CCOCC(=O)NC(C)C(C)C 240690a_100000211541_100000211967 [0,1,0,0,0,1|1,0,0]=3 1948 B11R0.163 CCOCC(=O)NC(C)C(C)C 527a_100000211541_100000211967 [0,1,0,0,0,1|1,0,0]=3 1949 B11R0.163 CCSCC(=O)NC(C)C(C)C 11a_100000211541_100000230394 [0,1,0,0,0,1|1,1,0]=4 1950 B11R0.163 CCSCC(=O)NC(C)C(C)C 1626a_100000211541_100000230394 [0,1,0,0,0,1|1,1,0]=4 1951 B11R0.163 CCSCC(=O)NC(C)C(C)C 240690a_100000211541_100000230394 [0,1,0,0,0,1|1,1,0]=4 1952 B11R0.163 CCSCC(=O)NC(C)C(C)C 527a_100000211541_100000230394 [0,1,0,0,0,1|1,1,0]=4 1953 B11R0.163 COCCC(=O)NC(C)C(C)C 11a_100000211541_100000749529 [0,1,0,0,0,1|2,0,0]=4 1954 B11R0.163 COCCC(=O)NC(C)C(C)C 1626a_100000211541_100000749529 [0,1,0,0,0,1|2,0,0]=4 1955 B11R0.163 COCCC(=O)NC(C)C(C)C 240690a_100000211541_100000749529 [0,1,0,0,0,1|2,0,0]=4 1956 B11R0.163 COCCC(=O)NC(C)C(C)C 527a_100000211541_100000749529 [0,1,0,0,0,1|2,0,0]=4 1957 B11R0.163 CSCCC(=O)NC(C)C(C)C 11a_100000211541_100000174002 [0,1,0,0,0,1|2,0,0]=4 1958 B11R0.163 CSCCC(=O)NC(C)C(C)C 1626a_100000211541_100000174002 [0,1,0,0,0,1|2,0,0]=4 1959 B11R0.163 CSCCC(=O)NC(C)C(C)C 240690a_100000211541_100000174002 [0,1,0,0,0,1|2,0,0]=4 1960 B11R0.163 CSCCC(=O)NC(C)C(C)C 527a_100000211541_100000174002 [0,1,0,0,0,1|2,0,0]=4 1961 B11R0.187 CCCC(=O)CN(C)C(C)CO 2230a_100000693034_100000747444 [0,1,0,0,0,1|2,0,0]=4 1962 B11R0.187 CCCC(=O)CN(C)C(C)CO 269982a_100000693034_100000747444 [0,1,0,0,0,1|2,0,0]=4 1963 B11R0.187 CCNC(=O)CN(C)C(C)CO 2230a_100000693034_100000183381 [0,1,0,0,0,1|2,0,0]=4 1964 B11R0.187 CCNC(=O)CN(C)C(C)CO 2230a_100000741943_100012180447 [0,1,0,0,0,1|2,0,0]=4 1965 B11R0.187 CCNC(=O)CN(C)C(C)CO 269982a_100000693034_100000183381 [0,1,0,0,0,1|2,0,0]=4 1966 B11R0.187 CCNC(=O)CN(C)C(C)OC 269982a_100000741943_100009879195 [0,1,0,0,0,1|2,0,0]=4 1967 B11R0.187 CCNC(=O)CN(C)[C@H](C)CO 269982a_100000741943_100016084084 [0,1,0,0,0,1|2,0,0]=4 1968 B11R0.187 CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000188475 [0,1,0,0,0,1|1,0,1]=4 1969 B11R0.187 CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000188475 [0,1,0,0,0,1|1,0,1]=4 1970 B11R0.187 CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000188475 [0,1,0,0,0,1|1,0,1]=4 1971 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [0,1,0,0,0,1|0,0,2]=4 1972 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [0,1,0,0,0,1|0,0,2]=4 1973 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [0,1,0,0,0,1|2,0,0]=4 1974 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [0,1,0,0,0,1|2,0,0]=4 1975 B11R0.187 CCOC(=O)CN(C)C(C)C#N 2230a_100000220588_100000184139 [0,1,0,0,0,1|2,0,0]=4 1976 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000220588_100000758301 [0,1,0,0,0,1|2,0,0]=4 1977 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000188475 [0,1,0,0,0,1|2,0,0]=4 1978 B11R0.187 CCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000188475 [0,1,0,0,0,1|2,0,0]=4 1979 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000220588_100012180447 [0,1,0,0,0,1|1,0,0]=3 1980 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000693034_100000188475 [0,1,0,0,0,1|1,0,0]=3 1981 B11R0.187 CCOC(=O)CN(C)C(C)CO 269982a_100000693034_100000188475 [0,1,0,0,0,1|1,0,0]=3 1982 B11R0.187 CCOC(=O)OC(C)N(C)CC 269982a_100000225621_100000036008 [0,1,0,0,0,1|2,0,0]=4 1983 B11R0.43 C#CC(C)NC(C)C(=O)NCC 2230a_100000707721_100000230173 [0,1,0,0,0,1|2,0,0]=4 1984 B11R0.43 C#CC(C)NC(C)C(=O)NCC 34a_100000707721_100000230173 [0,1,0,0,0,1|2,0,0]=4 1985 B11R0.43 C#CC(C)NC(C)C(=O)NCC 34a_100000736553_200000035995 [0,1,0,0,0,1|2,0,0]=4 1986 B11R0.43 C#CC(C)NC(C)C(=O)OCC 2230a_100000707721_100011215307 [0,1,0,0,0,1|1,0,0]=3 1987 B11R0.43 C#CC(C)NC(C)C(=O)OCC 34a_100000707721_100011216346 [0,1,0,0,0,1|1,0,0]=3 1988 B11R0.43 C#CC(C)NC(F)C(=O)OCC 2230a_100000707721_100000760018 [0,1,0,0,0,1|2,0,0]=4 1989 B11R0.43 C#CC(C)NC(F)C(=O)OCC 34a_100000707721_100000760018 [0,1,0,0,0,1|2,0,0]=4 1990 B11R0.43 C#CC(C)SC(C)C(=O)NCC 62a_200000035995_100000230173 [0,1,0,0,0,1|2,0,0]=4 1991 B11R0.43 C#CC(C)SC(C)C(=O)OCC 62a_200000035995_100011216346 [0,1,0,0,0,1|1,0,0]=3 1992 B11R0.43 C#CC(C)SC(F)C(=O)OCC 62a_200000035995_100000760018 [0,1,0,0,0,1|2,0,0]=4 1993 B11R0.43 C#C[C@@H](C)OC(C)C(=O)NCC 34a_100009815206_100000230173 [0,1,0,0,0,1|2,0,0]=4 1994 B11R0.43 C#C[C@@H](C)OC(C)C(=O)NCC 7a_100009815206_100000230173 [0,1,0,0,0,1|2,0,0]=4 1995 B11R0.43 C#C[C@@H](C)OC(C)C(=O)OCC 34a_100009815206_100011216346 [0,1,0,0,0,1|1,0,0]=3 1996 B11R0.43 C#C[C@@H](C)OC(C)C(=O)OCC 7a_100009815206_100011216346 [0,1,0,0,0,1|1,0,0]=3 1997 B11R0.43 C#C[C@@H](C)OC(F)C(=O)OCC 34a_100009815206_100000760018 [0,1,0,0,0,1|2,0,0]=4 1998 B11R0.43 C#C[C@@H](C)OC(F)C(=O)OCC 7a_100009815206_100000040065 [0,1,0,0,0,1|2,0,0]=4 1999 B11R0.43 C=CC(C)OC(C)C(=O)NCC 34a_100000695699_100000230173 [0,1,0,0,0,1|2,0,0]=4 2000 B11R0.43 C=CC(C)OC(C)C(=O)OCC 34a_100000695699_100011216346 [0,1,0,0,0,1|1,0,0]=3 2001 B11R0.43 C=CC(C)OC(F)C(=O)OCC 34a_100000695699_100000760018 [0,1,0,0,0,1|2,0,0]=4 2002 B11R0.43 C=CC(C)SC(C)C(=O)NCC 62a_100011215867_100000230173 [0,1,0,0,0,1|2,0,0]=4 2003 B11R0.43 C=CC(C)SC(C)C(=O)OCC 62a_100011215867_100011216346 [0,1,0,0,0,1|1,0,0]=3 2004 B11R0.43 C=CC(C)SC(F)C(=O)OCC 62a_100011215867_100000760018 [0,1,0,0,0,1|2,0,0]=4 2005 B11R0.43 CCCC(=O)N(C)CC(O)CO 240690a_100011216503_100000211992 [0,1,0,0,0,1|2,0,0]=4 2006 B11R0.43 CCCC(=O)N(C)CC(O)CO 527a_100011216503_100000211992 [0,1,0,0,0,1|2,0,0]=4 2007 B11R0.43 CCNC(=O)C(C)NC(C)C#N 2230a_100000736553_100000184139 [0,1,0,0,0,1|2,0,0]=4 2008 B11R0.43 CCNC(=O)C(C)NC(C)C#N 2230a_100000737613_100000230173 [0,1,0,0,0,1|2,0,0]=4 2009 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000209981_100000230173 [0,1,0,0,0,1|2,0,0]=4 2010 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000736553_100000758301 [0,1,0,0,0,1|2,0,0]=4 2011 B11R0.43 CCNC(=O)C(C)NC(C)CC 34a_100000736553_100011215416 [0,1,0,0,0,1|2,0,0]=4 2012 B11R0.43 CCNC(=O)C(C)NC(C)CO 2230a_100000736553_100012180447 [0,1,0,0,0,1|1,0,0]=3 2013 B11R0.43 CCNC(=O)C(C)NC(C)CO 34a_100000736553_100012180447 [0,1,0,0,0,1|1,0,0]=3 2014 B11R0.43 CCNC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000230173 [0,1,0,0,0,1|1,0,0]=3 2015 B11R0.43 CCNC(=O)C(C)OC(C)C#N 34a_100011218135_100000230173 [0,1,0,0,0,1|2,0,0]=4 2016 B11R0.43 CCNC(=O)C(C)OC(C)CC 7a_100000210228_100000230173 [0,1,0,0,0,1|2,0,0]=4 2017 B11R0.43 CCNC(=O)C(C)OC(C)CF 34a_100016041109_100000230173 [0,1,0,0,0,1|2,0,0]=4 2018 B11R0.43 CCNC(=O)C(C)OC(C)CF 7a_100016041109_100000230173 [0,1,0,0,0,1|2,0,0]=4 2019 B11R0.43 CCNC(=O)C(C)OC(C)CN 34a_100000210904_100000230173 [0,1,0,0,0,1|2,0,0]=4 2020 B11R0.43 CCNC(=O)C(C)SC(C)C#N 62a_100000230173_100000703298 [0,1,0,0,0,1|2,0,0]=4 2021 B11R0.43 CCNC(=O)C(C)SC(C)C#N 62a_100000703298_100000230173 [0,1,0,0,0,1|2,0,0]=4 2022 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000230173_100000758301 [0,1,0,0,0,1|2,0,0]=4 2023 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000758301_100000230173 [0,1,0,0,0,1|2,0,0]=4 2024 B11R0.43 CCNC(=O)C(C)SC(C)CO 62a_100012180447_100000230173 [0,1,0,0,0,1|1,0,0]=3 2025 B11R0.43 CCNC(=O)C(C)SC(C)OC 62a_100000230173_100009879195 [0,1,0,0,0,1|1,0,0]=3 2026 B11R0.43 CCNC(=O)C(C)SC(C)OC 62a_100009879195_100000230173 [0,1,0,0,0,1|1,0,0]=3 2027 B11R0.43 CCNC(=O)C(C)S[C@H](C)CO 62a_100000230173_100016084084 [0,1,0,0,0,1|1,0,0]=3 2028 B11R0.43 CCNC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000230173 [0,1,0,0,0,1|1,0,0]=3 2029 B11R0.43 CCNC(=O)N(C)CC(O)CO 2708a_100015525214_100011216503 [0,1,0,0,0,1|2,0,0]=4 2030 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100014798877 [0,1,0,0,0,1|1,0,1]=4 2031 B11R0.43 CCOC(=O)C(C)NC(C)C#N 2230a_100000737613_100011215307 [0,1,0,0,0,1|1,0,0]=3 2032 B11R0.43 CCOC(=O)C(C)NC(C)CC 2230a_100000209981_100011215307 [0,1,0,0,0,1|1,0,0]=3 2033 B11R0.43 CCOC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100011215307 [0,1,0,0,0,1|0,0,0]=2 2034 B11R0.43 CCOC(=O)C(C)OC(C)C#N 34a_100011218135_100011216346 [0,1,0,0,0,1|1,0,0]=3 2035 B11R0.43 CCOC(=O)C(C)OC(C)CC 7a_100000210228_100011216346 [0,1,0,0,0,1|1,0,0]=3 2036 B11R0.43 CCOC(=O)C(C)OC(C)CF 34a_100016041109_100011216346 [0,1,0,0,0,1|1,0,0]=3 2037 B11R0.43 CCOC(=O)C(C)OC(C)CF 7a_100016041109_100011216346 [0,1,0,0,0,1|1,0,0]=3 2038 B11R0.43 CCOC(=O)C(C)OC(C)CN 34a_100000210904_100011216346 [0,1,0,0,0,1|1,0,0]=3 2039 B11R0.43 CCOC(=O)C(C)SC(C)C#N 62a_100000703298_100011216346 [0,1,0,0,0,1|1,0,0]=3 2040 B11R0.43 CCOC(=O)C(C)SC(C)C#N 62a_100011216346_100000703298 [0,1,0,0,0,1|1,0,0]=3 2041 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100000758301_100011216346 [0,1,0,0,0,1|1,0,0]=3 2042 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100011216346_100000758301 [0,1,0,0,0,1|1,0,0]=3 2043 B11R0.43 CCOC(=O)C(C)SC(C)CO 62a_100012180447_100011216346 [0,1,0,0,0,1|0,0,0]=2 2044 B11R0.43 CCOC(=O)C(C)SC(C)OC 62a_100009879195_100011216346 [0,1,0,0,0,1|0,0,0]=2 2045 B11R0.43 CCOC(=O)C(C)SC(C)OC 62a_100011216346_100009879195 [0,1,0,0,0,1|0,0,0]=2 2046 B11R0.43 CCOC(=O)C(C)SC(F)C#N 62a_100011216346_200000117898 [0,1,0,0,0,1|1,0,1]=4 2047 B11R0.43 CCOC(=O)C(C)SC(F)C#N 62a_200000117898_100011216346 [0,1,0,0,0,1|1,0,1]=4 2048 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100011216346_100016084084 [0,1,0,0,0,1|0,0,0]=2 2049 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100016084084_100011216346 [0,1,0,0,0,1|0,0,0]=2 2050 B11R0.43 CCOC(=O)C(F)NC(C)C#N 2230a_100000737613_100000760018 [0,1,0,0,0,1|2,0,0]=4 2051 B11R0.43 CCOC(=O)C(F)NC(C)CC 2230a_100000209981_100000760018 [0,1,0,0,0,1|2,0,0]=4 2052 B11R0.43 CCOC(=O)C(F)N[C@H](C)CO 2230a_100000737577_100000760018 [0,1,0,0,0,1|1,0,0]=3 2053 B11R0.43 CCOC(=O)C(F)OC(C)C#N 34a_100011218135_100000760018 [0,1,0,0,0,1|2,0,0]=4 2054 B11R0.43 CCOC(=O)C(F)OC(C)CC 7a_100000210228_100000040065 [0,1,0,0,0,1|2,0,0]=4 2055 B11R0.43 CCOC(=O)C(F)OC(C)CF 34a_100016041109_100000760018 [0,1,0,0,0,1|2,0,0]=4 2056 B11R0.43 CCOC(=O)C(F)OC(C)CF 7a_100016041109_100000040065 [0,1,0,0,0,1|2,0,0]=4 2057 B11R0.43 CCOC(=O)C(F)OC(C)CN 34a_100000210904_100000760018 [0,1,0,0,0,1|2,0,0]=4 2058 B11R0.43 CCOC(=O)C(F)SC(C)C#N 62a_100000703298_100000760018 [0,1,0,0,0,1|2,0,0]=4 2059 B11R0.43 CCOC(=O)C(F)SC(C)C#N 62a_100000760018_100000703298 [0,1,0,0,0,1|2,0,0]=4 2060 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000758301_100000760018 [0,1,0,0,0,1|2,0,0]=4 2061 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000760018_100000758301 [0,1,0,0,0,1|2,0,0]=4 2062 B11R0.43 CCOC(=O)C(F)SC(C)CO 62a_100012180447_100000760018 [0,1,0,0,0,1|1,0,0]=3 2063 B11R0.43 CCOC(=O)C(F)SC(C)OC 62a_100000760018_100009879195 [0,1,0,0,0,1|1,0,0]=3 2064 B11R0.43 CCOC(=O)C(F)SC(C)OC 62a_100009879195_100000760018 [0,1,0,0,0,1|1,0,0]=3 2065 B11R0.43 CCOC(=O)C(F)S[C@H](C)CO 62a_100000760018_100016084084 [0,1,0,0,0,1|1,0,0]=3 2066 B11R0.43 CCOC(=O)C(F)S[C@H](C)CO 62a_100016084084_100000760018 [0,1,0,0,0,1|1,0,0]=3 2067 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CC 188690a_100016988386_100000210414 [0,1,0,0,0,1|0,0,2]=4 2068 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CO 188690a_100016988386_100000210174 [0,1,0,0,0,1|0,0,2]=4 2069 B11R0.43 CCOC(=O)[C@H](C)OC(C)C#N 7a_100000751109_100000703298 [0,1,0,0,0,1|1,0,0]=3 2070 B11R0.43 CCOC(=O)[C@H](C)OC(C)CC 7a_100000751109_100000758301 [0,1,0,0,0,1|1,0,0]=3 2071 B11R0.43 CCOC(=O)[C@H](C)OC(C)CO 7a_100000751109_100012180447 [0,1,0,0,0,1|0,0,0]=2 2072 B11R0.43 CCSC(=O)[C@H](C)NC(C)C#N 2230a_100103168634_100000184139 [0,1,0,0,0,1|1,1,0]=4 2073 B11R0.43 CCSC(=O)[C@H](C)NC(C)CC 2230a_100103168634_100000758301 [0,1,0,0,0,1|1,1,0]=4 2074 B11R0.43 CCSC(=O)[C@H](C)NC(C)CO 2230a_100103168634_100012180447 [0,1,0,0,0,1|0,1,0]=3 2075 B11R0.56 CCCC(=O)N(CC)C[C@H](C)O 240690a_100000729506_100000211992 [0,1,0,0,0,1|2,0,0]=4 2076 B11R0.56 CCCC(=O)N(CC)C[C@H](C)O 527a_100000729506_100000211992 [0,1,0,0,0,1|2,0,0]=4 2077 B11R0.56 CCNC(=O)N(CC)C[C@H](C)O 2708a_100015525214_100000729506 [0,1,0,0,0,1|2,0,0]=4 2078 B11R0.56 CCNC(=O)N(CC)C[C@H](C)O 273464a_100015525214_100000729506 [0,1,0,0,0,1|2,0,0]=4 2079 B11R0.56 CCOC(=O)C(C=O)SC(C)C 62a_100000053139_100000210206 [0,1,0,0,0,1|1,0,1]=4 2080 B11R0.56 CCOC(=O)C(C=O)SC(C)C 62a_100000210206_100000053139 [0,1,0,0,0,1|1,0,1]=4 2081 B11R0.56 CCOC(=O)C(CC(C)C)NC 2230a_106832991635_100010269446 [0,1,0,0,0,1|1,0,0]=3 2082 B11R0.56 CCOC(=O)C(CC(C)C)NC 34a_100102657272_100010269446 [0,1,0,0,0,1|1,0,0]=3 2083 B11R0.56 CCOC(=O)C(CC(C)C)NC 7a_106832991635_100010269446 [0,1,0,0,0,1|1,0,0]=3 2084 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100011626094_200000210301 [0,1,0,0,0,1|1,0,0]=3 2085 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100138415774_100010269446 [0,1,0,0,0,1|1,0,0]=3 2086 B11R0.56 CCOC(=O)C(CC(C)C)OC 7a_100011626094_200000210301 [0,1,0,0,0,1|1,0,0]=3 2087 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 34a_100011626094_200025704644 [0,1,0,0,0,1|1,0,0]=3 2088 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 7a_100011626094_200025704644 [0,1,0,0,0,1|1,0,0]=3 2089 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_100010269446_200000210301 [0,1,0,0,0,1|1,0,0]=3 2090 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_200000210301_100010269446 [0,1,0,0,0,1|1,0,0]=3 2091 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_100010269446_200025704644 [0,1,0,0,0,1|1,0,0]=3 2092 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_200025704644_100010269446 [0,1,0,0,0,1|1,0,0]=3 2093 B11R0.56 CCOC(=O)C(CC)NC(C)C 2230a_100138425928_100000212269 [0,1,0,0,0,1|1,0,0]=3 2094 B11R0.56 CCOC(=O)C(CC)NC(C)C 34a_100138425928_100000212269 [0,1,0,0,0,1|1,0,0]=3 2095 B11R0.56 CCOC(=O)C(CC)OC(C)C 34a_100000212225_100000212269 [0,1,0,0,0,1|1,0,0]=3 2096 B11R0.56 CCOC(=O)C(CC)OC(C)C 34a_100011216719_100000210206 [0,1,0,0,0,1|1,0,0]=3 2097 B11R0.56 CCOC(=O)C(CC)OC(C)C 7a_100011216719_100000210206 [0,1,0,0,0,1|1,0,0]=3 2098 B11R0.56 CCOC(=O)C(CC)SC(C)C 62a_100000210206_100000212269 [0,1,0,0,0,1|1,0,0]=3 2099 B11R0.56 CCOC(=O)C(CC)SC(C)C 62a_100000212269_100000210206 [0,1,0,0,0,1|1,0,0]=3 2100 B11R0.56 CCOC(=O)C(NC(C)C)SC 34a_100138425928_100009893047 [0,1,0,0,0,1|1,0,0]=3 2101 B11R0.56 CCOC(=O)C(OC(C)C)SC 34a_100000212225_100009893047 [0,1,0,0,0,1|1,0,0]=3 2102 B11R0.56 CCOC(=O)C(SC)SC(C)C 62a_100000210206_100009893047 [0,1,0,0,0,1|1,0,0]=3 2103 B11R0.56 CCOC(=O)C(SC)SC(C)C 62a_100009893047_100000210206 [0,1,0,0,0,1|1,0,0]=3 2104 B11R0.56 CCOC(=O)[C@@H](CO)NC(=O)C 188690a_100016988294_100015343762 [0,1,0,0,0,1|0,0,2]=4 2105 B11R0.56 CCOC(=O)[C@H](CC)NC(=O)C 188690a_100025709693_100015343762 [0,1,0,0,0,1|0,0,2]=4 2106 B11R0.63 CCC(C)C(=O)C(C)CC(C)C 1458a_100011192722_100000731052 [0,1,0,0,0,1|2,0,0]=4 2107 B11R0.63 CCC(C)C(=O)N(C)CC(C)O 240690a_100000227577_100011192722 [0,1,0,0,0,1|2,0,0]=4 2108 B11R0.63 CCC(C)C(=O)N(C)CC(C)O 527a_100000227577_100011192722 [0,1,0,0,0,1|2,0,0]=4 2109 B11R0.63 CCC(O)C(=O)C(C)CC(C)C 1458a_100011196387_100000731052 [0,1,0,0,0,1|2,0,0]=4 2110 B11R0.63 CCC(O)C(=O)N(C)CC(C)O 240690a_100000227577_100011196387 [0,1,0,0,0,1|2,0,0]=4 2111 B11R0.63 CCN(C)C(=O)C(C)NC(C)C 2230a_100138425928_200012002205 [0,1,0,0,0,1|2,0,0]=4 2112 B11R0.63 CCN(C)C(=O)C(C)NC(C)C 34a_100138425928_200012002205 [0,1,0,0,0,1|2,0,0]=4 2113 B11R0.63 CCN(C)C(=O)C(C)OC(C)C 34a_100000212225_200012002205 [0,1,0,0,0,1|2,0,0]=4 2114 B11R0.63 CCN(C)C(=O)C(C)SC(C)C 62a_100000210206_200012002205 [0,1,0,0,0,1|2,0,0]=4 2115 B11R0.63 CCN(C)C(=O)C(C)SC(C)C 62a_200012002205_100000210206 [0,1,0,0,0,1|2,0,0]=4 2116 B11R0.68 CCC#CC(=O)C(C)CC(C)C 1458a_100011827653_100000731052 [0,1,0,0,0,1|2,0,0]=4 2117 B11R0.68 CCC=CC(=O)C(C)CC(C)C 1458a_100000212282_100000731052 [0,1,0,0,0,1|2,0,0]=4 2118 B11R0.68 CCC=CC(=O)N(C)CC(C)O 240690a_100000227577_100000212282 [0,1,0,0,0,1|2,0,0]=4 2119 B11R0.68 CCCCC(=O)C(C)CC(C)C 1458a_100000210183_100000731052 [0,1,0,0,0,1|2,0,0]=4 2120 B11R0.68 CCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000210183 [0,1,0,0,0,1|2,0,0]=4 2121 B11R0.68 CCCCC(=O)N(C)CC(C)O 527a_100000227577_100000210183 [0,1,0,0,0,1|2,0,0]=4 2122 B11R0.68 CCCNC(=O)C(C)NC(C)C 2230a_100025744714_100000210206 [0,1,0,0,0,1|2,0,0]=4 2123 B11R0.68 CCCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230305 [0,1,0,0,0,1|2,0,0]=4 2124 B11R0.68 CCCNC(=O)C(C)NC(C)C 34a_100025744714_100000210206 [0,1,0,0,0,1|2,0,0]=4 2125 B11R0.68 CCCNC(=O)C(C)NC(C)C 34a_100138425928_100000230305 [0,1,0,0,0,1|2,0,0]=4 2126 B11R0.68 CCCNC(=O)C(C)OC(C)C 34a_100000212225_100000230305 [0,1,0,0,0,1|2,0,0]=4 2127 B11R0.68 CCCNC(=O)C(C)SC(C)C 62a_100000210206_100000230305 [0,1,0,0,0,1|2,0,0]=4 2128 B11R0.68 CCCNC(=O)C(C)SC(C)C 62a_100000230305_100000210206 [0,1,0,0,0,1|2,0,0]=4 2129 B11R0.68 CCCNC(=O)N(C)CC(C)O 2708a_100020643023_100000227577 [0,1,0,0,0,1|2,0,0]=4 2130 B11R0.68 CCCOC(=O)C(C)NC(C)C 2230a_100138425928_100000760410 [0,1,0,0,0,1|1,0,0]=3 2131 B11R0.68 CCCOC(=O)C(C)NC(C)C 34a_100138425928_100000760410 [0,1,0,0,0,1|1,0,0]=3 2132 B11R0.68 CCCOC(=O)C(C)OC(C)C 34a_100000037348_100000210206 [0,1,0,0,0,1|1,0,0]=3 2133 B11R0.68 CCCOC(=O)C(C)OC(C)C 34a_100000212225_100000760410 [0,1,0,0,0,1|1,0,0]=3 2134 B11R0.68 CCCOC(=O)C(C)OC(C)C 7a_100000037348_100000210206 [0,1,0,0,0,1|1,0,0]=3 2135 B11R0.68 CCCOC(=O)C(C)SC(C)C 62a_100000210206_100000760410 [0,1,0,0,0,1|1,0,0]=3 2136 B11R0.68 CCCOC(=O)C(C)SC(C)C 62a_100000760410_100000210206 [0,1,0,0,0,1|1,0,0]=3 2137 B11R0.68 CCOCC(=O)C(C)CC(C)C 1458a_100000211967_100000731052 [0,1,0,0,0,1|1,0,0]=3 2138 B11R0.68 CCOCC(=O)C(C)OC(=O)C 1458a_100000211967_100009818208 [0,1,0,0,0,1|0,0,2]=4 2139 B11R0.68 CCOCC(=O)N(C)CC(C)C 11a_100000747067_100000211967 [0,1,0,0,0,1|2,0,0]=4 2140 B11R0.68 CCOCC(=O)N(C)CC(C)C 1626a_100000747067_100000211967 [0,1,0,0,0,1|2,0,0]=4 2141 B11R0.68 CCOCC(=O)N(C)CC(C)C 240690a_100000747067_100000211967 [0,1,0,0,0,1|2,0,0]=4 2142 B11R0.68 CCOCC(=O)N(C)CC(C)C 527a_100000747067_100000211967 [0,1,0,0,0,1|2,0,0]=4 2143 B11R0.68 CCOCC(=O)N(C)CC(C)O 240690a_100000227577_100000211967 [0,1,0,0,0,1|1,0,0]=3 2144 B11R0.68 CCOCC(=O)N(C)CC(C)O 527a_100000227577_100000211967 [0,1,0,0,0,1|1,0,0]=3 2145 B11R0.68 CCSCC(=O)C(C)CC(C)C 1458a_100000230394_100000731052 [0,1,0,0,0,1|1,1,0]=4 2146 B11R0.68 CCSCC(=O)N(C)CC(C)O 240690a_100000227577_100000230394 [0,1,0,0,0,1|1,1,0]=4 2147 B11R0.68 CCSCC(=O)N(C)CC(C)O 527a_100000227577_100000230394 [0,1,0,0,0,1|1,1,0]=4 2148 B11R0.68 COCCC(=O)C(C)CC(C)C 1458a_100000749529_100000731052 [0,1,0,0,0,1|2,0,0]=4 2149 B11R0.68 COCCC(=O)N(C)CC(C)O 240690a_100000227577_100000749529 [0,1,0,0,0,1|2,0,0]=4 2150 B11R0.68 COCCC(=O)N(C)CC(C)O 527a_100000227577_100000749529 [0,1,0,0,0,1|2,0,0]=4 2151 B11R0.68 CSCCC(=O)C(C)CC(C)C 1458a_100000174002_100000731052 [0,1,0,0,0,1|2,0,0]=4 2152 B11R0.68 CSCCC(=O)N(C)CC(C)O 240690a_100000227577_100000174002 [0,1,0,0,0,1|2,0,0]=4 2153 B11R0.68 CSCCC(=O)N(C)CC(C)O 527a_100000227577_100000174002 [0,1,0,0,0,1|2,0,0]=4 2154 B11R0.149 CC(C)CC(=O)C(C)CC(C)C 1458a_100000210554_100000731052 [0,1,0,0,0,1|2,0,0]=4 2155 B11R0.149 CC(C)CC(=O)N(C)CC(C)O 240690a_100000227577_100000210554 [0,1,0,0,0,1|2,0,0]=4 2156 B11R0.149 CC(C)CC(=O)N(C)CC(C)O 527a_100000227577_100000210554 [0,1,0,0,0,1|2,0,0]=4 2157 B11R0.149 CC(C)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000731052 [0,1,0,0,0,1|2,0,0]=4 2158 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 2230a_100015205314_100000210206 [0,1,0,0,0,1|2,0,0]=4 2159 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 2230a_100138425928_100000195394 [0,1,0,0,0,1|2,0,0]=4 2160 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 34a_100015205314_100000210206 [0,1,0,0,0,1|2,0,0]=4 2161 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 34a_100138425928_100000195394 [0,1,0,0,0,1|2,0,0]=4 2162 B11R0.149 CC(C)NC(=O)C(C)OC(C)C 34a_100000212225_100000195394 [0,1,0,0,0,1|2,0,0]=4 2163 B11R0.149 CC(C)NC(=O)C(C)SC(C)C 62a_100000195394_100000210206 [0,1,0,0,0,1|2,0,0]=4 2164 B11R0.149 CC(C)NC(=O)C(C)SC(C)C 62a_100000210206_100000195394 [0,1,0,0,0,1|2,0,0]=4 2165 B11R0.149 CC(C)OC(=O)[C@@H](C)OC(C)C 34a_100015307928_100000210206 [0,1,0,0,0,1|1,0,0]=3 2166 B11R0.149 CC(C)OC(=O)[C@@H](C)OC(C)C 7a_100015307928_100000210206 [0,1,0,0,0,1|1,0,0]=3 2167 B11R0.149 CC(O)CN(C)C(=O)C[C@@H](C)O 240690a_100000227577_100011933948 [0,1,0,0,0,1|2,0,0]=4 2168 B11R0.149 CC(O)CN(C)C(=O)NC(C)C 2708a_100138425928_100000227577 [0,1,0,0,0,1|2,0,0]=4 2169 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 1626a_100000755907_100000211992 [0,1,0,0,0,1|2,0,0]=4 2170 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 240690a_100000755907_100000211992 [0,1,0,0,0,1|2,0,0]=4 2171 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 527a_100000755907_100000211992 [0,1,0,0,0,1|2,0,0]=4 2172 B11R0.186 CCNC(=O)C(C)NC(C)(C)C 2230a_100000715429_100000230173 [0,1,0,0,0,1|2,0,0]=4 2173 B11R0.186 CCNC(=O)C(C)NC(C)(C)C 34a_100000736553_100000210625 [0,1,0,0,0,1|2,0,0]=4 2174 B11R0.186 CCNC(=O)C(C)OC(C)(C)C 34a_100015890283_100000230173 [0,1,0,0,0,1|2,0,0]=4 2175 B11R0.186 CCNC(=O)C(C)OC(C)(C)C 7a_100015890283_100000230173 [0,1,0,0,0,1|2,0,0]=4 2176 B11R0.186 CCNC(=O)C(C)SC(C)(C)C 62a_100000211941_100000230173 [0,1,0,0,0,1|2,0,0]=4 2177 B11R0.186 CCNC(=O)C(C)SC(C)(C)C 62a_100000230173_100000211941 [0,1,0,0,0,1|2,0,0]=4 2178 B11R0.186 CCNC(=O)N(C)CC(C)(C)O 2708a_100015525214_100000755907 [0,1,0,0,0,1|2,0,0]=4 2179 B11R0.186 CCNC(=O)N(C)CC(C)(C)O 273464a_100015525214_100000755907 [0,1,0,0,0,1|2,0,0]=4 2180 B11R0.186 CCOC(=O)C(C)NC(C)(C)C 2230a_100000715429_100011215307 [0,1,0,0,0,1|1,0,0]=3 2181 B11R0.186 CCOC(=O)C(C)OC(C)(C)C 34a_100015890283_100011216346 [0,1,0,0,0,1|1,0,0]=3 2182 B11R0.186 CCOC(=O)C(C)OC(C)(C)C 7a_100015890283_100011216346 [0,1,0,0,0,1|1,0,0]=3 2183 B11R0.186 CCOC(=O)C(C)SC(C)(C)C 62a_100000211941_100011216346 [0,1,0,0,0,1|1,0,0]=3 2184 B11R0.186 CCOC(=O)C(C)SC(C)(C)C 62a_100011216346_100000211941 [0,1,0,0,0,1|1,0,0]=3 2185 B11R0.186 CCOC(=O)C(C)SC(F)(F)F 62a_100011216346_200103152311 [0,1,0,0,0,1|2,0,0]=4 2186 B11R0.186 CCOC(=O)C(C)SC(F)(F)F 62a_200000243211_100011216346 [0,1,0,0,0,1|2,0,0]=4 2187 B11R0.186 CCOC(=O)C(F)NC(C)(C)C 2230a_100000715429_100000760018 [0,1,0,0,0,1|2,0,0]=4 2188 B11R0.186 CCOC(=O)C(F)OC(C)(C)C 34a_100015890283_100000760018 [0,1,0,0,0,1|2,0,0]=4 2189 B11R0.186 CCOC(=O)C(F)OC(C)(C)C 7a_100015890283_100000040065 [0,1,0,0,0,1|2,0,0]=4 2190 B11R0.186 CCOC(=O)C(F)SC(C)(C)C 62a_100000211941_100000760018 [0,1,0,0,0,1|2,0,0]=4 2191 B11R0.186 CCOC(=O)C(F)SC(C)(C)C 62a_100000760018_100000211941 [0,1,0,0,0,1|2,0,0]=4 2192 B11R0.186 CCOC(=O)[C@H](C)OC(F)(F)F 7a_100000751109_200000243211 [0,1,0,0,0,1|2,0,0]=4 2193 B11R0.240 CCCC(=O)C(C)(O)CC(C)C 1458a_100011434877_100000210303 [0,1,0,0,0,1|2,0,0]=4 2194 B11R0.240 CCNC(=O)C(C)(O)CC(C)C 240690a_100015525214_100011434877 [0,1,0,0,0,1|2,0,0]=4 2195 B11R0.240 CCOC(=O)C(C)(C)CN(C)C 2230a_100102631434_100011219049 [0,1,0,0,0,1|2,0,0]=4 2196 B11R0.240 CCOC(=O)C(C)(C)NC(=O)C 188690a_100000750574_100015343762 [0,1,0,0,0,1|0,0,2]=4 2197 B11R0.240 CCOC(=O)C(C)(C)NC(C)C 2230a_100138425928_100011216345 [0,1,0,0,0,1|1,0,0]=3 2198 B11R0.240 CCOC(=O)C(C)(C)OC(C)C 34a_100000686869_100000210206 [0,1,0,0,0,1|1,0,0]=3 2199 B11R0.240 CCOC(=O)C(C)(C)OC(C)C 7a_100000686869_100000210206 [0,1,0,0,0,1|1,0,0]=3 2200 B11R0.240 CCOC(=O)C(C)(C)SC(C)C 62a_100000210206_100011216345 [0,1,0,0,0,1|1,0,0]=3 2201 B11R0.240 CCOC(=O)C(C)(C)SC(C)C 62a_100011216345_100000210206 [0,1,0,0,0,1|1,0,0]=3 2202 B11R0.240 CCOC(=O)C(F)(F)NC(C)C 34a_100138425928_100000210910 [0,1,0,0,0,1|2,0,0]=4 2203 B11R0.240 CCOC(=O)C(F)(F)OC(C)C 34a_100000212225_100000210910 [0,1,0,0,0,1|2,0,0]=4 2204 B11R0.240 CCOC(=O)C(F)(F)SC(C)C 62a_100000210206_100000210910 [0,1,0,0,0,1|2,0,0]=4 2205 B11R0.240 CCOC(=O)C(F)(F)SC(C)C 62a_100000210910_100000210206 [0,1,0,0,0,1|2,0,0]=4 2206 B11R0.52 CC(C)OC(=O)C(C)(C)N(C)C 2230a_100102631434_100009814322 [0,2,0,0,0,0|2,0,0]=4 2207 B11R0.92 C#CC(C)NC(=O)C(C)C(C)C 11a_100000707721_100000755409 [0,2,0,0,0,0|2,0,0]=4 2208 B11R0.92 C#CC(C)NC(=O)C(C)C(C)C 1626a_100000707721_100000755409 [0,2,0,0,0,0|2,0,0]=4 2209 B11R0.92 C#CC(C)NC(=O)C(C)C(C)C 240690a_100000707721_100000755409 [0,2,0,0,0,0|2,0,0]=4 2210 B11R0.92 C#CC(C)NC(=O)C(C)C(C)C 527a_100000707721_100000755409 [0,2,0,0,0,0|2,0,0]=4 2211 B11R0.92 CC(C#N)NC(=O)C(C)C(C)C 11a_100000737613_100000755409 [0,2,0,0,0,0|2,0,0]=4 2212 B11R0.92 CC(C#N)NC(=O)C(C)C(C)C 1626a_100000737613_100000755409 [0,2,0,0,0,0|2,0,0]=4 2213 B11R0.92 CC(C#N)NC(=O)C(C)C(C)C 527a_100000737613_100000755409 [0,2,0,0,0,0|2,0,0]=4 2214 B11R0.92 CC(C)C(C)C(=O)C[C@@H](C)CO 1458a_100000755409_100000059175 [0,2,0,0,0,0|2,0,0]=4 2215 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CF 11a_100102880703_100000755409 [0,2,0,0,0,0|2,0,0]=4 2216 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000755409 [0,2,0,0,0,0|2,0,0]=4 2217 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000755409 [0,2,0,0,0,0|2,0,0]=4 2218 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CF 527a_100102880703_100000755409 [0,2,0,0,0,0|2,0,0]=4 2219 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000755409 [0,2,0,0,0,0|2,0,0]=4 2220 B11R0.92 CC(C)C(C)C(=O)N[C@H](C)CO 527a_100000737577_100000755409 [0,2,0,0,0,0|2,0,0]=4 2221 B11R0.92 CCC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000747405 [0,2,0,0,0,0|2,0,0]=4 2222 B11R0.92 CCC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000748023 [0,2,0,0,0,0|2,0,0]=4 2223 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 11a_100000209981_100000755409 [0,2,0,0,0,0|2,0,0]=4 2224 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 1626a_100000209981_100000755409 [0,2,0,0,0,0|2,0,0]=4 2225 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 240690a_100000209981_100000755409 [0,2,0,0,0,0|2,0,0]=4 2226 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 527a_100000209981_100000755409 [0,2,0,0,0,0|2,0,0]=4 2227 B11R0.92 CCC(O)CC(=O)C(C)C(C)C 1458a_100000755409_100011218378 [0,2,0,0,0,0|2,0,0]=4 2228 B11R0.92 CC[C@H](C)CC(=O)C(C)C(C)C 1458a_100000755409_100009816398 [0,2,0,0,0,0|2,0,0]=4 2229 B11R0.206 CC(C)C(C)C(=O)N(C)C(C)C 11a_200000211004_100000755409 [0,2,0,0,0,0|2,0,0]=4 2230 B11R0.206 CC(C)C(C)C(=O)N(C)C(C)C 1626a_200000211004_100000755409 [0,2,0,0,0,0|2,0,0]=4 2231 B11R0.206 CC(C)C(C)C(=O)N(C)C(C)C 240690a_200000211004_100000755409 [0,2,0,0,0,0|2,0,0]=4 2232 B11R0.206 CC(C)C(C)C(=O)N(C)C(C)C 527a_200000211004_100000755409 [0,2,0,0,0,0|2,0,0]=4 2233 B11R0.308 CC(=O)C(C)C(=O)OC(C)(C)C 1458a_100000070787_100000758318 [0,2,0,0,0,0|0,0,2]=4 2234 B11R0.308 CC(=O)C(C)C(=O)OC(C)(C)C 1458a_100009909047_200000210301 [0,2,0,0,0,0|0,0,2]=4 2235 B11R0.308 CC(C(=O)OC(C)(C)C)N(C)C 2230a_100102631434_100000758318 [0,2,0,0,0,0|2,0,0]=4 2236 B11R0.308 CC(C(=O)[13CH3])C(=O)OC(C)(C)C 1458a_100009909047_200025704644 [0,2,0,0,0,0|0,0,2]=4 2237 B11R0.308 CC(C)C(C)C(=O)NC(C)(C)C 11a_100000715429_100000755409 [0,2,0,0,0,0|2,0,0]=4 2238 B11R0.308 CC(C)C(C)C(=O)NC(C)(C)C 1626a_100000715429_100000755409 [0,2,0,0,0,0|2,0,0]=4 2239 B11R0.308 CC(C)C(C)C(=O)NC(C)(C)C 240690a_100000715429_100000755409 [0,2,0,0,0,0|2,0,0]=4 2240 B11R0.308 CC(C)C(C)C(=O)NC(C)(C)C 527a_100000715429_100000755409 [0,2,0,0,0,0|2,0,0]=4 2241 B11R0.308 C[C@@H](C(=O)OC(C)(C)C)N(C)C 2230a_100016990750_200000210301 [0,2,0,0,0,0|2,0,0]=4 2242 B11R0.308 C[C@@H](C(=O)OC(C)(C)C)N(C)C 269982a_100016990750_200000210301 [0,2,0,0,0,0|2,0,0]=4 2243 B11R0.308 C[C@@H](C(=O)OC(C)(C)C)N(C)[13CH3] 2230a_100016990750_200025704644 [0,2,0,0,0,0|2,0,0]=4 2244 B11R0.308 C[C@@H](C(=O)OC(C)(C)C)N(C)[13CH3] 269982a_100016990750_200025704644 [0,2,0,0,0,0|2,0,0]=4 2245 B11R0.53 CCCC(=O)N(CC)C(C)CO 240690a_100000731049_100000211992 [0,2,0,0,0,0|2,0,0]=4 2246 B11R0.53 CCCC(=O)N(CC)C(C)CO 527a_100000731049_100000211992 [0,2,0,0,0,0|2,0,0]=4 2247 B11R0.53 CCOC(=O)C(CC)C(=O)CC 1458a_100000210414_100000212269 [0,2,0,0,0,0|0,0,2]=4 2248 B11R0.53 CCOC(=O)C(CC)C(=O)CO 1458a_100000210174_100000212269 [0,2,0,0,0,0|0,0,2]=4 2249 B11R0.53 CCOC(=O)C(CC)N(C)CC 2230a_100000225621_100000212269 [0,2,0,0,0,0|2,0,0]=4 2250 B11R0.53 CCOC(=O)C(CC)N(C)CC 269982a_100000225621_100000212269 [0,2,0,0,0,0|2,0,0]=4 2251 B11R0.53 CCOC(=O)C(NC)C(=O)CC 7a_106832991635_100000687759 [0,2,0,0,0,0|0,0,2]=4 2252 B11R0.53 CCOC(=O)C(SC)C(=O)CC 1458a_100000210414_100009893047 [0,2,0,0,0,0|0,0,2]=4 2253 B11R0.53 CCOC(=O)C(SC)C(=O)CC 62a_100000687759_200000210301 [0,2,0,0,0,0|0,0,2]=4 2254 B11R0.53 CCOC(=O)C(SC)C(=O)CC 62a_200000210301_100000687759 [0,2,0,0,0,0|0,0,2]=4 2255 B11R0.53 CCOC(=O)C(SC)C(=O)CO 1458a_100000210174_100009893047 [0,2,0,0,0,0|0,0,2]=4 2256 B11R0.53 CCOC(=O)C(SC)N(C)CC 269982a_100000225621_100009893047 [0,2,0,0,0,0|2,0,0]=4 2257 B11R0.53 CCOC(=O)C(S[13CH3])C(=O)CC 62a_100000687759_200025704644 [0,2,0,0,0,0|0,0,2]=4 2258 B11R0.53 CCOC(=O)C(S[13CH3])C(=O)CC 62a_200025704644_100000687759 [0,2,0,0,0,0|0,0,2]=4 2259 B11R0.66 CCC(C)C(=O)N(C)C(C)CO 240690a_100000693034_100011192722 [0,2,0,0,0,0|2,0,0]=4 2260 B11R0.66 CCC(C)C(=O)N(C)C(C)CO 527a_100000693034_100011192722 [0,2,0,0,0,0|2,0,0]=4 2261 B11R0.66 CCC(C)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000758301 [0,2,0,0,0,0|2,0,0]=4 2262 B11R0.66 CCC(O)C(=O)N(C)C(C)CO 240690a_100000693034_100011196387 [0,2,0,0,0,0|2,0,0]=4 2263 B11R0.66 CCN(C)C(=O)[C@H](O)[C@H](O)CO 240690a_100000225621_100015448053 [0,2,0,0,0,0|2,0,0]=4 2264 B11R0.73 CCC=CC(=O)N(C)C(C)CO 240690a_100000693034_100000212282 [0,2,0,0,0,0|2,0,0]=4 2265 B11R0.73 CCCCC(=O)N(C)C(C)CO 240690a_100000693034_100000210183 [0,2,0,0,0,0|2,0,0]=4 2266 B11R0.73 CCCCC(=O)N(C)C(C)CO 527a_100000693034_100000210183 [0,2,0,0,0,0|2,0,0]=4 2267 B11R0.73 CCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210211 [0,2,0,0,0,0|2,0,0]=4 2268 B11R0.73 CCCNC(=O)N(C)C(C)CO 2708a_100020643023_100000693034 [0,2,0,0,0,0|2,0,0]=4 2269 B11R0.73 CCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100020643023_100015448053 [0,2,0,0,0,0|2,0,0]=4 2270 B11R0.73 CCCOC(=O)C(C)C(=O)CC 1458a_100000210414_100000760410 [0,2,0,0,0,0|0,0,2]=4 2271 B11R0.73 CCCOC(=O)C(C)C(=O)CO 1458a_100000210174_100000760410 [0,2,0,0,0,0|0,0,2]=4 2272 B11R0.73 CCCOC(=O)C(C)N(C)CC 2230a_100000225621_100000760410 [0,2,0,0,0,0|2,0,0]=4 2273 B11R0.73 CCCOC(=O)C(C)N(C)CC 269982a_100000225621_100000760410 [0,2,0,0,0,0|2,0,0]=4 2274 B11R0.73 CCOCC(=O)C(C)C(=O)CC 1458a_100000211967_100000742827 [0,2,0,0,0,0|0,0,2]=4 2275 B11R0.73 CCOCC(=O)C(C)C(=O)NC 1458a_100000211967_100000209862 [0,2,0,0,0,0|0,0,2]=4 2276 B11R0.73 CCOCC(=O)C(C)C(=O)OC 1458a_100000211967_100000211248 [0,2,0,0,0,0|0,0,2]=4 2277 B11R0.73 CCOCC(=O)N(C)C(C)C#N 11a_100000745055_100000211967 [0,2,0,0,0,0|2,0,0]=4 2278 B11R0.73 CCOCC(=O)N(C)C(C)C#N 1626a_100000745055_100000211967 [0,2,0,0,0,0|2,0,0]=4 2279 B11R0.73 CCOCC(=O)N(C)C(C)C#N 527a_100000745055_100000211967 [0,2,0,0,0,0|2,0,0]=4 2280 B11R0.73 CCOCC(=O)N(C)C(C)CC 11a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 2281 B11R0.73 CCOCC(=O)N(C)C(C)CC 1626a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 2282 B11R0.73 CCOCC(=O)N(C)C(C)CC 240690a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 2283 B11R0.73 CCOCC(=O)N(C)C(C)CC 527a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 2284 B11R0.73 CCOCC(=O)N(C)C(C)CO 240690a_100000693034_100000211967 [0,2,0,0,0,0|1,0,0]=3 2285 B11R0.73 CCOCC(=O)N(C)C(C)CO 527a_100000693034_100000211967 [0,2,0,0,0,0|1,0,0]=3 2286 B11R0.73 CCSCC(=O)N(C)C(C)CO 240690a_100000693034_100000230394 [0,2,0,0,0,0|1,1,0]=4 2287 B11R0.73 CCSCC(=O)N(C)C(C)CO 527a_100000693034_100000230394 [0,2,0,0,0,0|1,1,0]=4 2288 B11R0.73 COCCC(=O)N(C)C(C)CO 240690a_100000693034_100000749529 [0,2,0,0,0,0|2,0,0]=4 2289 B11R0.73 COCCC(=O)N(C)C(C)CO 527a_100000693034_100000749529 [0,2,0,0,0,0|2,0,0]=4 2290 B11R0.73 COCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000233755 [0,2,0,0,0,0|2,0,0]=4 2291 B11R0.73 CSCCC(=O)N(C)C(C)CO 240690a_100000693034_100000174002 [0,2,0,0,0,0|2,0,0]=4 2292 B11R0.73 CSCCC(=O)N(C)C(C)CO 527a_100000693034_100000174002 [0,2,0,0,0,0|2,0,0]=4 2293 B11R0.73 CSCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000751147 [0,2,0,0,0,0|2,0,0]=4 2294 B11R0.73 O=C(CCCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011934791 [0,2,0,0,0,0|2,0,0]=4 2295 B11R0.73 O=C(CCCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100011215043 [0,2,0,0,0,0|2,0,0]=4 2296 B11R0.73 O=C(NCCF)[C@H](O)[C@H](O)CO 240690a_100000724931_100015448053 [0,2,0,0,0,0|2,0,0]=4 2297 B11R0.73 O=C(NCCO)[C@H](O)[C@H](O)CO 240690a_100000210304_100015448053 [0,2,0,0,0,0|2,0,0]=4 2298 B11R0.122 CCCC(=O)N(C)C(C)(C)CO 240690a_100015204102_100000211992 [0,2,0,0,0,0|2,0,0]=4 2299 B11R0.122 CCCC(=O)N(C)C(C)(C)CO 527a_100015204102_100000211992 [0,2,0,0,0,0|2,0,0]=4 2300 B11R0.122 CCNC(=O)N(C)C(C)(C)CO 2708a_100015525214_100015204102 [0,2,0,0,0,0|2,0,0]=4 2301 B11R0.122 CCNC(=O)N(C)C(C)(C)CO 273464a_100015525214_100015204102 [0,2,0,0,0,0|2,0,0]=4 2302 B11R0.177 C#CCC(=O)C(C)C(=O)OCC 1458a_100011220946_100011216346 [0,2,0,0,0,0|0,0,2]=4 2303 B11R0.177 C#CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000184674 [0,2,0,0,0,0|0,0,2]=4 2304 B11R0.177 C#CCN(C)C(C)C(=O)OCC 2230a_100000225692_100011215307 [0,2,0,0,0,0|2,0,0]=4 2305 B11R0.177 C#CCN(C)C(C)C(=O)OCC 34a_100000225692_100011216346 [0,2,0,0,0,0|2,0,0]=4 2306 B11R0.177 C=CCC(=O)C(C)C(=O)OCC 1458a_100000210193_100011216346 [0,2,0,0,0,0|0,0,2]=4 2307 B11R0.177 C=CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210623 [0,2,0,0,0,0|0,0,2]=4 2308 B11R0.177 C=CCN(C)C(C)C(=O)OCC 2230a_100000225617_100011215307 [0,2,0,0,0,0|2,0,0]=4 2309 B11R0.177 C=CCN(C)C(C)C(=O)OCC 269982a_100000225617_100011216346 [0,2,0,0,0,0|2,0,0]=4 2310 B11R0.177 CC#CC(=O)C(C)C(=O)OCC 1458a_100000763181_100011216346 [0,2,0,0,0,0|0,0,2]=4 2311 B11R0.177 CC=CC(=O)C(C)C(=O)OCC 1458a_100000210699_100011216346 [0,2,0,0,0,0|0,0,2]=4 2312 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [0,2,0,0,0,0|0,0,2]=4 2313 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [0,2,0,0,0,0|0,0,2]=4 2314 B11R0.177 CCCC(=O)N(C)C(C)CCO 240690a_100000731037_100000211992 [0,2,0,0,0,0|2,0,0]=4 2315 B11R0.177 CCCC(=O)N(C)C(C)CCO 527a_100000731037_100000211992 [0,2,0,0,0,0|2,0,0]=4 2316 B11R0.177 CCCN(C)C(C)C(=O)OCC 2230a_100000747261_100011215307 [0,2,0,0,0,0|2,0,0]=4 2317 B11R0.177 CCCN(C)C(C)C(=O)OCC 269982a_100000747261_100011216346 [0,2,0,0,0,0|2,0,0]=4 2318 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [0,2,0,0,0,0|0,0,2]=4 2319 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [0,2,0,0,0,0|0,0,2]=4 2320 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [0,2,0,0,0,0|0,0,2]=4 2321 B11R0.177 CCNC(=O)C(C)N(C)CCO 2230a_100000210263_100000230173 [0,2,0,0,0,0|2,0,0]=4 2322 B11R0.177 CCNC(=O)C(C)N(C)CCO 269982a_100000210263_100000230173 [0,2,0,0,0,0|2,0,0]=4 2323 B11R0.177 CCNC(=O)N(C)C(C)CCO 2708a_100015525214_100000731037 [0,2,0,0,0,0|2,0,0]=4 2324 B11R0.177 CCOC(=O)C(C)C(=O)CC#N 1458a_100051588842_100011216346 [0,2,0,0,0,0|0,0,2]=4 2325 B11R0.177 CCOC(=O)C(C)C(=O)CC#N 1458a_100132301724_100011214920 [0,2,0,0,0,0|0,0,2]=4 2326 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [0,2,0,0,0,0|0,0,2]=4 2327 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [0,2,0,0,0,0|0,0,2]=4 2328 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [0,2,0,0,0,0|0,0,2]=4 2329 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [0,2,0,0,0,0|0,0,2]=4 2330 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [0,2,0,0,0,0|0,0,2]=4 2331 B11R0.177 CCOC(=O)C(C)C(=O)NNC 22a_100016993582_100132301724 [0,2,0,0,0,0|0,0,2]=4 2332 B11R0.177 CCOC(=O)C(C)N(C)CC#N 2230a_100000748184_100011215307 [0,2,0,0,0,0|2,0,0]=4 2333 B11R0.177 CCOC(=O)C(C)N(C)CCO 2230a_100000210263_100011215307 [0,2,0,0,0,0|1,0,0]=3 2334 B11R0.177 CCOC(=O)C(C)N(C)CCO 269982a_100000210263_100011216346 [0,2,0,0,0,0|1,0,0]=3 2335 B11R0.177 CCOC(=O)C(F)N(C)CCO 2230a_100000210263_100000760018 [0,2,0,0,0,0|2,0,0]=4 2336 B11R0.177 CCOC(=O)C(F)N(C)CCO 269982a_100000210263_100000760018 [0,2,0,0,0,0|2,0,0]=4 2337 B11R0.179 CCOC(=O)C(C)N(CC)CC 2230a_100000724800_100011215307 [0,2,0,0,0,0|2,0,0]=4 2338 B11R0.179 CCOC(=O)C(C)N(CC)CC 269982a_100000724800_100011216346 [0,2,0,0,0,0|2,0,0]=4 2339 B11R0.242 CCOC(=O)C(C)(C)C(=O)CC 1458a_100000694683_100000210202 [0,2,0,0,0,0|0,0,2]=4 2340 B11R0.242 CCOC(=O)C(C)(C)C(=O)CF 1458a_100000694683_100015361967 [0,2,0,0,0,0|0,0,2]=4 2341 B11R0.242 CCOC(=O)C(C)(C)C(=O)NC 11a_106832991635_100000694683 [0,2,0,0,0,0|0,0,2]=4 2342 B11R0.242 CCOC(=O)C(C)(C)C(=O)NC 1626a_100102657272_100000694683 [0,2,0,0,0,0|0,0,2]=4 2343 B11R0.242 CCOC(=O)C(C)(C)C(=O)NC 240690a_100102657272_100000694683 [0,2,0,0,0,0|0,0,2]=4 2344 B11R0.242 CCOC(=O)C(C)(C)C(=O)NC 527a_100102657272_100000694683 [0,2,0,0,0,0|0,0,2]=4 2345 B11R0.242 CCOC(=O)C(C)(C)C(C)OC 7a_100011668300_200000210301 [0,2,0,0,0,0|0,0,0]=2 2346 B11R0.242 CCOC(=O)C(C)(C)C(C)O[13CH3] 7a_100011668300_200025704644 [0,2,0,0,0,0|0,0,0]=2 2347 B11R0.242 CCOC(=O)C(C)(C)N(C)CC 2230a_100000225621_100011216345 [0,2,0,0,0,0|2,0,0]=4 2348 B11R0.242 CCOC(=O)C(C)(C)N(C)CC 269982a_100000225621_100048669870 [0,2,0,0,0,0|2,0,0]=4 2349 B11R0.242 CCOC(=O)C(C)(O)C(=O)CC 1458a_200009913003_100000210202 [0,2,0,0,0,0|0,0,2]=4 2350 B11R0.242 CCOC(=O)C(C)(O)C(=O)CF 1458a_200009913003_100015361967 [0,2,0,0,0,0|0,0,2]=4 2351 B11R0.242 CCOC(=O)C(C)(O)C(=O)NC 240690a_100102657272_200009913003 [0,2,0,0,0,0|0,0,2]=4 2352 B11R0.74 CN(C)C(C)(C)C(=O)OCCO 2230a_100102631434_100009817195 [0,2,0,0,0,0|2,0,0]=4 2353 B11R0.294 CCC(CC)C(=O)C(C)C(C)C 1458a_100000755409_100000210505 [0,2,0,0,0,0|2,0,0]=4 2354 B11R0.294 CCN(CC)C(=O)C(C)C(C)C 11a_100000724800_100000755409 [0,2,0,0,0,0|2,0,0]=4 2355 B11R0.294 CCN(CC)C(=O)C(C)C(C)C 1626a_100000724800_100000755409 [0,2,0,0,0,0|2,0,0]=4 2356 B11R0.294 CCN(CC)C(=O)C(C)C(C)C 240690a_100000724800_100000755409 [0,2,0,0,0,0|2,0,0]=4 2357 B11R0.294 CCN(CC)C(=O)C(C)C(C)C 527a_100000724800_100000755409 [0,2,0,0,0,0|2,0,0]=4 2358 B11R0.71 CCOCC(=O)N(C)C(C)(C)C 11a_100011215553_100000211967 [0,2,0,0,0,0|2,0,0]=4 2359 B11R0.71 CCOCC(=O)N(C)C(C)(C)C 1626a_100011215553_100000211967 [0,2,0,0,0,0|2,0,0]=4 2360 B11R0.71 CCOCC(=O)N(C)C(C)(C)C 240690a_100011215553_100000211967 [0,2,0,0,0,0|2,0,0]=4 2361 B11R0.139 C#CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000731252 [0,2,0,0,0,0|2,0,0]=4 2362 B11R0.139 C#CCCNC(=O)C(C)C(C)C 11a_100000755551_100000755409 [0,2,0,0,0,0|2,0,0]=4 2363 B11R0.139 C#CCCNC(=O)C(C)C(C)C 1626a_100000755551_100000755409 [0,2,0,0,0,0|2,0,0]=4 2364 B11R0.139 C#CCCNC(=O)C(C)C(C)C 240690a_100000755551_100000755409 [0,2,0,0,0,0|2,0,0]=4 2365 B11R0.139 C#CCCNC(=O)C(C)C(C)C 527a_100000755551_100000755409 [0,2,0,0,0,0|2,0,0]=4 2366 B11R0.139 C=CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000757094 [0,2,0,0,0,0|2,0,0]=4 2367 B11R0.139 C=CCCNC(=O)C(C)C(C)C 11a_100015191253_100000755409 [0,2,0,0,0,0|2,0,0]=4 2368 B11R0.139 C=CCCNC(=O)C(C)C(C)C 1626a_100015191253_100000755409 [0,2,0,0,0,0|2,0,0]=4 2369 B11R0.139 C=CCCNC(=O)C(C)C(C)C 240690a_100015191253_100000755409 [0,2,0,0,0,0|2,0,0]=4 2370 B11R0.139 C=CCCNC(=O)C(C)C(C)C 527a_100015191253_100000755409 [0,2,0,0,0,0|2,0,0]=4 2371 B11R0.139 CC#CCNC(=O)C(C)C(C)C 11a_100000685387_100000755409 [0,2,0,0,0,0|2,0,0]=4 2372 B11R0.139 CC#CCNC(=O)C(C)C(C)C 1626a_100000685387_100000755409 [0,2,0,0,0,0|2,0,0]=4 2373 B11R0.139 CC#CCNC(=O)C(C)C(C)C 527a_100000685387_100000755409 [0,2,0,0,0,0|2,0,0]=4 2374 B11R0.139 CC(=O)C(C)C(=O)COCCO 1458a_100000708028_100000179758 [0,2,0,0,0,0|0,0,2]=4 2375 B11R0.139 CC(C)C(C)C(=O)CCCC#N 1458a_100000755409_100000211468 [0,2,0,0,0,0|2,0,0]=4 2376 B11R0.139 CC(C)C(C)C(=O)CCCCF 1458a_100000755409_100000729493 [0,2,0,0,0,0|2,0,0]=4 2377 B11R0.139 CC(C)C(C)C(=O)CCCCO 1458a_100000755409_100000210776 [0,2,0,0,0,0|2,0,0]=4 2378 B11R0.139 CC(C)C(C)C(=O)NCCC#N 11a_100000720768_100000755409 [0,2,0,0,0,0|2,0,0]=4 2379 B11R0.139 CC(C)C(C)C(=O)NCCC#N 1626a_100000720768_100000755409 [0,2,0,0,0,0|2,0,0]=4 2380 B11R0.139 CC(C)C(C)C(=O)NCCC#N 240690a_100000720768_100000755409 [0,2,0,0,0,0|2,0,0]=4 2381 B11R0.139 CC(C)C(C)C(=O)NCCC#N 527a_100000720768_100000755409 [0,2,0,0,0,0|2,0,0]=4 2382 B11R0.139 CC(C)C(C)C(=O)NCCCF 11a_100015189416_100000755409 [0,2,0,0,0,0|2,0,0]=4 2383 B11R0.139 CC(C)C(C)C(=O)NCCCF 1626a_100015189416_100000755409 [0,2,0,0,0,0|2,0,0]=4 2384 B11R0.139 CC(C)C(C)C(=O)NCCCF 240690a_100015189416_100000755409 [0,2,0,0,0,0|2,0,0]=4 2385 B11R0.139 CC(C)C(C)C(=O)NCCCF 527a_100015189416_100000755409 [0,2,0,0,0,0|2,0,0]=4 2386 B11R0.139 CC(C)C(C)C(=O)NCCCO 240690a_100000182051_100000755409 [0,2,0,0,0,0|2,0,0]=4 2387 B11R0.139 CC(C)C(C)C(=O)NCCCO 527a_100000182051_100000755409 [0,2,0,0,0,0|2,0,0]=4 2388 B11R0.139 CC(C)C(C)C(=O)NNCCO 22a_100000210001_100000755409 [0,2,0,0,0,0|2,0,0]=4 2389 B11R0.139 CC(C)N(C)C(=O)COCCBr 34a_100000211926_100000230190 [0,2,0,0,0,0|2,0,0]=4 2390 B11R0.139 CC(C)N(C)C(=O)COCCN 34a_100000210304_100000230190 [0,2,0,0,0,0|2,0,0]=4 2391 B11R0.139 CC(C)N(C)C(=O)COCCO 1626a_200000211004_100000708028 [0,2,0,0,0,0|2,0,0]=4 2392 B11R0.139 CC(C)N(C)C(=O)COCCO 240690a_200000211004_100000708028 [0,2,0,0,0,0|2,0,0]=4 2393 B11R0.139 CC/C=C\CC(=O)C(C)C(C)C 1458a_100000755409_100103147603 [0,2,0,0,0,0|2,0,0]=4 2394 B11R0.139 CCC#CCC(=O)C(C)C(C)C 1458a_100000755409_100009813939 [0,2,0,0,0,0|2,0,0]=4 2395 B11R0.139 CCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210326 [0,2,0,0,0,0|2,0,0]=4 2396 B11R0.139 CCCCNC(=O)C(C)C(C)C 11a_100000102301_100000755409 [0,2,0,0,0,0|2,0,0]=4 2397 B11R0.139 CCCCNC(=O)C(C)C(C)C 1626a_100000102301_100000755409 [0,2,0,0,0,0|2,0,0]=4 2398 B11R0.139 CCCCNC(=O)C(C)C(C)C 240690a_100000102301_100000755409 [0,2,0,0,0,0|2,0,0]=4 2399 B11R0.139 CCCCNC(=O)C(C)C(C)C 527a_100000102301_100000755409 [0,2,0,0,0,0|2,0,0]=4 2400 B11R0.139 CCCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000759602 [0,2,0,0,0,0|0,0,2]=4 2401 B11R0.139 CCCCOC(=O)C(C)N(C)C 2230a_100102631434_100000759602 [0,2,0,0,0,0|2,0,0]=4 2402 B11R0.139 CCCCOC(=O)C(C)N(C)C 269982a_100102631434_100000759602 [0,2,0,0,0,0|2,0,0]=4 2403 B11R0.139 CCCNNC(=O)C(C)C(C)C 22a_100000740057_100000755409 [0,2,0,0,0,0|2,0,0]=4 2404 B11R0.139 CCCOCC(=O)C(C)C(=O)C 1458a_100000745993_100000179758 [0,2,0,0,0,0|0,0,2]=4 2405 B11R0.139 CCCOCC(=O)N(C)C(C)C 11a_200000211004_100000745993 [0,2,0,0,0,0|2,0,0]=4 2406 B11R0.139 CCCOCC(=O)N(C)C(C)C 1626a_200000211004_100000745993 [0,2,0,0,0,0|2,0,0]=4 2407 B11R0.139 CCCOCC(=O)N(C)C(C)C 240690a_200000211004_100000745993 [0,2,0,0,0,0|2,0,0]=4 2408 B11R0.139 CCCOCC(=O)N(C)C(C)C 34a_100000210258_100000230190 [0,2,0,0,0,0|2,0,0]=4 2409 B11R0.139 CCCOCC(=O)N(C)C(C)C 527a_200000211004_100000745993 [0,2,0,0,0,0|2,0,0]=4 2410 B11R0.139 CCOC=CC(=O)C(C)C(=O)C 1458a_100016266692_100000179758 [0,2,0,0,0,0|0,0,2]=4 2411 B11R0.139 CCOC=CC(=O)N(C)C(C)C 11a_200000211004_100016266692 [0,2,0,0,0,0|2,0,0]=4 2412 B11R0.139 CCOC=CC(=O)N(C)C(C)C 1626a_200000211004_100016266692 [0,2,0,0,0,0|2,0,0]=4 2413 B11R0.139 CCOC=CC(=O)N(C)C(C)C 240690a_200000211004_100016266692 [0,2,0,0,0,0|2,0,0]=4 2414 B11R0.139 CCOCCC(=O)C(C)C(=O)C 1458a_100000749530_100000179758 [0,2,0,0,0,0|0,0,2]=4 2415 B11R0.139 CCOCCC(=O)C(C)C(C)C 1458a_100000755409_100011215890 [0,2,0,0,0,0|1,0,0]=3 2416 B11R0.139 CCOCCC(=O)N(C)C(C)C 11a_200000211004_100000749530 [0,2,0,0,0,0|2,0,0]=4 2417 B11R0.139 CCOCCC(=O)N(C)C(C)C 1626a_200000211004_100000749530 [0,2,0,0,0,0|2,0,0]=4 2418 B11R0.139 CCOCCC(=O)N(C)C(C)C 240690a_200000211004_100000749530 [0,2,0,0,0,0|2,0,0]=4 2419 B11R0.139 CCOCCC(=O)N(C)C(C)C 527a_200000211004_100000749530 [0,2,0,0,0,0|2,0,0]=4 2420 B11R0.139 CCOCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100011215890 [0,2,0,0,0,0|2,0,0]=4 2421 B11R0.139 CCOCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215890 [0,2,0,0,0,0|2,0,0]=4 2422 B11R0.139 CCSCCC(=O)C(C)C(C)C 1458a_100000755409_100000757381 [0,2,0,0,0,0|1,1,0]=4 2423 B11R0.139 COCCCC(=O)C(C)C(C)C 1458a_100000755409_100000740836 [0,2,0,0,0,0|2,0,0]=4 2424 B11R0.139 COCCNC(=O)C(C)C(C)C 1626a_100000209980_100000755409 [0,2,0,0,0,0|2,0,0]=4 2425 B11R0.139 COCCNC(=O)C(C)C(C)C 240690a_100000209980_100000755409 [0,2,0,0,0,0|2,0,0]=4 2426 B11R0.139 COCCNC(=O)C(C)C(C)C 527a_100000209980_100000755409 [0,2,0,0,0,0|2,0,0]=4 2427 B11R0.139 CSCCNC(=O)C(C)C(C)C 11a_100020590264_100000755409 [0,2,0,0,0,0|2,0,0]=4 2428 B11R0.139 CSCCNC(=O)C(C)C(C)C 1626a_100020590264_100000755409 [0,2,0,0,0,0|2,0,0]=4 2429 B11R0.139 CSCCNC(=O)C(C)C(C)C 240690a_100020590264_100000755409 [0,2,0,0,0,0|2,0,0]=4 2430 B11R0.139 CSCCNC(=O)C(C)C(C)C 527a_100020590264_100000755409 [0,2,0,0,0,0|2,0,0]=4 2431 B11R0.173 C=C(C)CCC(=O)C(C)C(C)C 1458a_100000755409_100000730704 [0,2,0,0,0,0|2,0,0]=4 2432 B11R0.173 C=C(C)CNC(=O)C(C)C(C)C 11a_100000765925_100000755409 [0,2,0,0,0,0|2,0,0]=4 2433 B11R0.173 C=C(C)CNC(=O)C(C)C(C)C 1626a_100000765925_100000755409 [0,2,0,0,0,0|2,0,0]=4 2434 B11R0.173 C=C(C)CNC(=O)C(C)C(C)C 240690a_100000765925_100000755409 [0,2,0,0,0,0|2,0,0]=4 2435 B11R0.173 C=C(C)CNC(=O)C(C)C(C)C 527a_100000765925_100000755409 [0,2,0,0,0,0|2,0,0]=4 2436 B11R0.173 CC(=O)C(C)C(=O)COC(C)C 1458a_100000745533_100000179758 [0,2,0,0,0,0|0,0,2]=4 2437 B11R0.173 CC(C)C(C)C(=O)NCC(F)F 11a_100000765723_100000755409 [0,2,0,0,0,0|2,0,0]=4 2438 B11R0.173 CC(C)C(C)C(=O)NCC(F)F 1626a_100000765723_100000755409 [0,2,0,0,0,0|2,0,0]=4 2439 B11R0.173 CC(C)C(C)C(=O)NCC(F)F 240690a_100000765723_100000755409 [0,2,0,0,0,0|2,0,0]=4 2440 B11R0.173 CC(C)C(C)C(=O)NCC(F)F 527a_100000765723_100000755409 [0,2,0,0,0,0|2,0,0]=4 2441 B11R0.173 CC(C)CCC(=O)C(C)C(C)C 1458a_100000755409_100000210312 [0,2,0,0,0,0|2,0,0]=4 2442 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 11a_100000210953_100000755409 [0,2,0,0,0,0|2,0,0]=4 2443 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 1626a_100000210953_100000755409 [0,2,0,0,0,0|2,0,0]=4 2444 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 240690a_100000210953_100000755409 [0,2,0,0,0,0|2,0,0]=4 2445 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 527a_100000210953_100000755409 [0,2,0,0,0,0|2,0,0]=4 2446 B11R0.173 CC(C)NNC(=O)C(C)C(C)C 22a_100000741168_100000755409 [0,2,0,0,0,0|2,0,0]=4 2447 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 11a_200000211004_100000745533 [0,2,0,0,0,0|2,0,0]=4 2448 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 1626a_200000211004_100000745533 [0,2,0,0,0,0|2,0,0]=4 2449 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 240690a_200000211004_100000745533 [0,2,0,0,0,0|2,0,0]=4 2450 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 34a_100000212225_100000230190 [0,2,0,0,0,0|2,0,0]=4 2451 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 527a_200000211004_100000745533 [0,2,0,0,0,0|2,0,0]=4 2452 B11R0.173 CC(O)CCC(=O)C(C)C(C)C 1458a_100000755409_100012276601 [0,2,0,0,0,0|2,0,0]=4 2453 B11R0.173 CC(O)CNC(=O)C(C)C(C)C 11a_100000210904_100000755409 [0,2,0,0,0,0|2,0,0]=4 2454 B11R0.173 CC(O)CNC(=O)C(C)C(C)C 240690a_100000210904_100000755409 [0,2,0,0,0,0|2,0,0]=4 2455 B11R0.173 CC(O)CNC(=O)C(C)C(C)C 527a_100000210904_100000755409 [0,2,0,0,0,0|2,0,0]=4 2456 B11R0.238 CCOCC(=O)N(CC)C(C)C 11a_100000223864_100000211967 [0,2,0,0,0,0|2,0,0]=4 2457 B11R0.238 CCOCC(=O)N(CC)C(C)C 1626a_100000223864_100000211967 [0,2,0,0,0,0|2,0,0]=4 2458 B11R0.238 CCOCC(=O)N(CC)C(C)C 240690a_100000223864_100000211967 [0,2,0,0,0,0|2,0,0]=4 2459 B11R0.238 CCOCC(=O)N(CC)C(C)C 34a_100121572206_100011282762 [0,2,0,0,0,0|2,0,0]=4 2460 B11R0.238 CCOCC(=O)N(CC)C(C)C 527a_100000223864_100000211967 [0,2,0,0,0,0|2,0,0]=4 2461 B11R0.7 CCOC(=O)C(NC)C(F)(F)F 34a_100102657272_200010009677 [0,2,0,0,0,0|2,0,0]=4 2462 B11R0.7 CCOC(=O)C(OC)C(F)(F)F 34a_100138415774_200010009677 [0,2,0,0,0,0|2,0,0]=4 2463 B11R0.7 CCOC(=O)C(SC)C(F)(F)F 62a_200000210301_200010009677 [0,2,0,0,0,0|2,0,0]=4 2464 B11R0.7 CCOC(=O)C(SC)C(F)(F)F 62a_200010009677_200000210301 [0,2,0,0,0,0|2,0,0]=4 2465 B11R0.7 CCOC(=O)C(S[13CH3])C(F)(F)F 62a_200010009677_200025704644 [0,2,0,0,0,0|2,0,0]=4 2466 B11R0.7 CCOC(=O)C(S[13CH3])C(F)(F)F 62a_200025704644_200010009677 [0,2,0,0,0,0|2,0,0]=4 2467 B11R0.57 CCCC(=O)C(SCC)C(C)C 1458a_100000750736_100000210303 [0,2,0,0,0,0|2,0,0]=4 2468 B11R0.57 CCCC(C(=O)C)C(=O)OCC 1458a_100000070787_100000695697 [0,2,0,0,0,0|0,0,2]=4 2469 B11R0.57 CCCC(C(=O)OCC)N(C)C 2230a_100102631434_100000695697 [0,2,0,0,0,0|2,0,0]=4 2470 B11R0.57 CCCC(C(=O)OCC)N(C)C 269982a_100102631434_100000695697 [0,2,0,0,0,0|2,0,0]=4 2471 B11R0.57 CCNC(=O)C(SCC)C(C)C 11a_100015525214_100000750736 [0,2,0,0,0,0|2,0,0]=4 2472 B11R0.57 CCNC(=O)C(SCC)C(C)C 240690a_100015525214_100000750736 [0,2,0,0,0,0|2,0,0]=4 2473 B11R0.57 CCNC(=O)C(SCC)C(C)C 527a_100015525214_100000750736 [0,2,0,0,0,0|2,0,0]=4 2474 B11R0.57 CCOC(=O)C(OCC)C(=O)C 34a_100121572206_100009831564 [0,2,0,0,0,0|0,0,2]=4 2475 B11R0.57 CCOC(=O)C(OCC)C(C)C 34a_100121572206_100000740032 [0,2,0,0,0,0|1,0,0]=3 2476 B11R0.57 CCOC(=O)C(SCC)C(=O)C 62a_100000210202_100000211040 [0,2,0,0,0,0|0,0,2]=4 2477 B11R0.57 CCOC(=O)C(SCC)C(=O)C 62a_100000211040_100000210202 [0,2,0,0,0,0|0,0,2]=4 2478 B11R0.57 CCOC(=O)C(SCC)C(C)C 62a_100000210202_100000740032 [0,2,0,0,0,0|1,0,0]=3 2479 B11R0.57 CCOC(=O)C(SCC)C(C)C 62a_100000740032_100000210202 [0,2,0,0,0,0|1,0,0]=3 2480 B11R0.57 CCOC(=O)C(SCF)C(=O)C 62a_100000211040_100015361967 [0,2,0,0,0,0|0,0,2]=4 2481 B11R0.57 CCOC(=O)C(SCF)C(=O)C 62a_100015361967_100000211040 [0,2,0,0,0,0|0,0,2]=4 2482 B11R0.57 CCOC(=O)C(SCF)C(C)C 62a_100000740032_100015361967 [0,2,0,0,0,0|1,0,0]=3 2483 B11R0.57 CCOC(=O)C(SCF)C(C)C 62a_100015361967_100000740032 [0,2,0,0,0,0|1,0,0]=3 2484 B11R0.175 CCCC(=O)[C@H](C(C)C)N(C)C 1458a_100000687188_100000210303 [0,2,0,0,0,0|2,0,0]=4 2485 B11R0.175 CCNC(=O)[C@H](C(C)C)N(C)C 240690a_100015525214_100000687188 [0,2,0,0,0,0|2,0,0]=4 2486 B11R0.175 CCNC(=O)[C@H](C(C)C)N(C)C 527a_100015525214_100000687188 [0,2,0,0,0,0|2,0,0]=4 2487 B11R0.175 CCOC(=O)C(C(=O)C)C(C)C 1458a_100000070787_100000740032 [0,2,0,0,0,0|1,0,0]=3 2488 B11R0.175 CCOC(=O)C(C(=O)C)N(C)C 269982a_100102631434_100009831564 [0,2,0,0,0,0|0,0,2]=4 2489 B11R0.175 CCOC(=O)C(C(C)C)N(C)C 269982a_100102631434_100000740032 [0,2,0,0,0,0|1,0,0]=3 2490 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,1,0,0|0,0,2]=4 2491 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [1,0,0,1,0,0|0,0,2]=4 2492 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [1,0,0,1,0,0|2,0,0]=4 2493 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [1,0,0,1,0,0|2,0,0]=4 2494 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [1,0,0,1,0,0|2,0,0]=4 2495 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [1,0,0,1,0,0|2,0,0]=4 2496 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [1,0,0,1,0,0|0,0,2]=4 2497 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [1,0,0,1,0,0|2,0,0]=4 2498 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [1,0,0,1,0,0|2,0,0]=4 2499 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [1,0,0,1,0,0|2,0,0]=4 2500 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [1,0,0,1,0,0|2,0,0]=4 2501 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [1,0,0,1,0,0|2,0,0]=4 2502 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [1,0,0,1,0,0|2,0,0]=4 2503 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [1,0,0,1,0,0|2,0,0]=4 2504 B9R1.101 CCC(=O)N(C)C1CC1 11a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 2505 B9R1.101 CCC(=O)N(C)C1CC1 1626a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 2506 B9R1.101 CCC(=O)N(C)C1CC1 240690a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 2507 B9R1.101 CCC(=O)N(C)C1CC1 527a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 2508 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [1,0,0,1,0,0|2,0,0]=4 2509 B9R1.185 CCC(=O)C1CC1(F)F 1458a_100000042250_100000210202 [1,0,0,1,0,0|2,0,0]=4 2510 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [1,0,0,1,0,0|1,0,0]=3 2511 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [1,0,0,1,0,0|2,0,0]=4 2512 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [1,0,0,1,0,0|2,0,0]=4 2513 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [1,0,0,1,0,0|2,0,0]=4 2514 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [1,0,0,1,0,0|2,0,0]=4 2515 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|2,0,0]=4 2516 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|2,0,0]=4 2517 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 2518 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 2519 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 2520 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [1,0,0,1,0,0|2,0,0]=4 2521 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 2522 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|2,0,0]=4 2523 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|2,0,0]=4 2524 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [1,0,0,1,0,0|2,0,0]=4 2525 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [1,0,0,1,0,0|2,0,0]=4 2526 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|2,0,0]=4 2527 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|2,0,0]=4 2528 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [1,0,0,1,0,0|2,0,0]=4 2529 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [1,0,0,1,0,0|2,0,0]=4 2530 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 2531 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 2532 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|2,0,0]=4 2533 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [1,0,0,1,0,0|2,0,0]=4 2534 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|2,0,0]=4 2535 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|2,0,0]=4 2536 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [1,0,0,1,0,0|2,0,0]=4 2537 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [1,0,0,1,0,0|2,0,0]=4 2538 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [1,0,0,1,0,0|1,0,0]=3 2539 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [1,0,0,1,0,0|1,0,0]=3 2540 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [1,0,0,1,0,0|1,0,0]=3 2541 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [1,0,0,1,0,0|1,0,0]=3 2542 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [1,0,0,1,0,0|1,0,0]=3 2543 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [1,0,0,1,0,0|1,0,0]=3 2544 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [1,0,0,1,0,0|1,0,0]=3 2545 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [1,0,0,1,0,0|1,0,0]=3 2546 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 2547 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 2548 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [1,0,0,1,0,0|1,0,1]=4 2549 B9R1.73 CC#CC(=O)C1COC1 1458a_100000763181_100000687716 [1,0,0,1,0,0|1,0,1]=4 2550 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [1,0,0,1,0,0|1,0,1]=4 2551 B9R1.73 CC=CC(=O)C1COC1 1458a_100000210699_100000687716 [1,0,0,1,0,0|1,0,1]=4 2552 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|1,0,0]=3 2553 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|1,0,0]=3 2554 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [1,0,0,1,0,0|2,0,0]=4 2555 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [1,0,0,1,0,0|1,0,0]=3 2556 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [1,0,0,1,0,0|1,0,0]=3 2557 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 2558 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 2559 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 2560 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 2561 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 2562 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 2563 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 2564 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 2565 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 2566 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [1,0,0,1,0,0|1,0,0]=3 2567 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [1,0,0,1,0,0|1,0,0]=3 2568 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [1,0,0,1,0,0|1,0,0]=3 2569 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 2570 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 2571 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 2572 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 2573 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 2574 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [1,0,0,1,0,0|2,0,0]=4 2575 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 2576 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [1,0,0,1,0,0|2,0,0]=4 2577 B9R1.73 CNNC(=O)C1COC1 22a_100016993582_100000758290 [1,0,0,1,0,0|2,0,0]=4 2578 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [1,0,0,1,0,0|2,0,0]=4 2579 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [1,0,0,1,0,0|2,0,0]=4 2580 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [1,0,0,1,0,0|2,0,0]=4 2581 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [1,0,0,1,0,0|2,0,0]=4 2582 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [1,0,0,1,0,0|2,0,0]=4 2583 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [1,0,0,1,0,0|2,0,0]=4 2584 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [1,0,0,1,0,0|2,0,0]=4 2585 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [1,0,0,1,0,0|2,0,0]=4 2586 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [1,0,0,1,0,0|2,0,0]=4 2587 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [1,0,0,1,0,0|2,0,0]=4 2588 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [1,0,0,1,0,0|2,0,0]=4 2589 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [1,0,0,1,0,0|2,0,0]=4 2590 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [1,0,0,1,0,0|2,0,0]=4 2591 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [1,0,0,1,0,0|2,0,0]=4 2592 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [1,0,0,1,0,0|2,0,0]=4 2593 B9R1.74 CC1(CC1)C(=O)CCF 1458a_100000756474_100011217306 [1,0,0,1,0,0|2,0,0]=4 2594 B9R1.74 CC1(CC1)C(=O)CCO 1458a_100000756474_100000211926 [1,0,0,1,0,0|2,0,0]=4 2595 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [1,0,0,1,0,0|1,0,0]=3 2596 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [1,0,0,1,0,0|2,0,0]=4 2597 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [1,0,0,1,0,0|2,0,0]=4 2598 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [1,0,0,1,0,0|1,0,0]=3 2599 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [1,0,0,1,0,0|1,0,0]=3 2600 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [1,0,0,1,0,0|1,0,0]=3 2601 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 2602 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 2603 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 2604 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [1,0,0,1,0,0|2,0,0]=4 2605 B9R1.74 CNNC(=O)C1(CC1)C 22a_100016993582_100000756474 [1,0,0,1,0,0|2,0,0]=4 2606 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [1,0,0,1,0,0|2,0,0]=4 2607 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [1,0,0,1,0,0|2,0,0]=4 2608 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|1,0,0]=3 2609 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [1,0,0,1,0,0|2,0,0]=4 2610 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 2611 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 2612 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 2613 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 2614 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 2615 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [1,0,0,1,0,0|2,0,0]=4 2616 B9R1.75 CC#CC(=O)CC1CO1 1458a_100000763181_100011216344 [1,0,0,1,0,0|1,0,1]=4 2617 B9R1.75 CC#CC(=O)C[C@@H]1CO1 1458a_100000763181_100000745022 [1,0,0,1,0,0|1,0,1]=4 2618 B9R1.75 CC=CC(=O)CC1CO1 1458a_100000210699_100011216344 [1,0,0,1,0,0|1,0,1]=4 2619 B9R1.75 CC=CC(=O)C[C@@H]1CO1 1458a_100000210699_100000745022 [1,0,0,1,0,0|1,0,1]=4 2620 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|2,0,0]=4 2621 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|2,0,0]=4 2622 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [1,0,0,1,0,0|1,0,0]=3 2623 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [1,0,0,1,0,0|1,1,0]=4 2624 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [1,0,0,1,0,0|1,0,0]=3 2625 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [1,0,0,1,0,0|2,0,0]=4 2626 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [1,0,0,1,0,0|2,0,0]=4 2627 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [1,0,0,1,0,0|2,0,0]=4 2628 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [1,0,0,1,0,0|2,0,0]=4 2629 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [1,0,0,1,0,0|2,0,0]=4 2630 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [1,0,0,1,0,0|2,0,0]=4 2631 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [1,0,0,1,0,0|2,0,0]=4 2632 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [1,0,0,1,0,0|2,0,0]=4 2633 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [1,0,0,1,0,0|2,0,0]=4 2634 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [1,0,0,1,0,0|2,0,0]=4 2635 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [1,0,0,1,0,0|1,0,0]=3 2636 B9R1.137 CC(O)CC(=O)C1CO1 1458a_100000701028_100011218427 [1,0,0,1,0,0|2,0,0]=4 2637 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210202 [1,0,0,1,0,0|1,0,1]=4 2638 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000204670 [1,0,0,1,0,0|1,0,1]=4 2639 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [1,0,0,1,0,0|1,0,1]=4 2640 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [1,0,0,1,0,0|1,0,1]=4 2641 B9R1.100 CCCNC(C)C1CO1 270004a_100020643023_100000031964 [1,0,0,1,0,0|2,0,0]=4 2642 B11R1.89 CC(C)N(C)C1CCOC1=O 269982a_200000211004_100000211211 [0,0,0,1,0,1|2,0,0]=4 2643 B11R1.89 C[C@@H](O)C(=O)C1CCOC1=O 1458a_100000717761_100000211211 [0,0,0,1,0,1|1,0,1]=4 2644 B11R1.89 C[C@H](O)C(=O)C1CCOC1=O 1458a_217856618621_100000211211 [0,0,0,1,0,1|1,0,1]=4 2645 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [0,0,0,1,0,1|2,0,0]=4 2646 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [0,0,0,1,0,1|2,0,0]=4 2647 B11R1.334 CCCC(=O)NC(C)C1CC1 11a_100000700016_100000211992 [0,0,0,1,0,1|2,0,0]=4 2648 B11R1.334 CCCC(=O)NC(C)C1CC1 1626a_100000700016_100000211992 [0,0,0,1,0,1|2,0,0]=4 2649 B11R1.334 CCCC(=O)NC(C)C1CC1 240690a_100000700016_100000211992 [0,0,0,1,0,1|2,0,0]=4 2650 B11R1.334 CCCC(=O)NC(C)C1CC1 527a_100000700016_100000211992 [0,0,0,1,0,1|2,0,0]=4 2651 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100000700016_100015525214 [0,0,0,1,0,1|2,0,0]=4 2652 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100015525214_100000700016 [0,0,0,1,0,1|2,0,0]=4 2653 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100000700016_100015525214 [0,0,0,1,0,1|2,0,0]=4 2654 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100015525214_100000700016 [0,0,0,1,0,1|2,0,0]=4 2655 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100000700016_100015525214 [0,0,0,1,0,1|2,0,0]=4 2656 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100015525214_100000700016 [0,0,0,1,0,1|2,0,0]=4 2657 B11R1.334 CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000188475 [0,0,0,1,0,1|1,0,1]=4 2658 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000220965_200000210301 [0,0,0,1,0,1|2,0,0]=4 2659 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000226674_100000188475 [0,0,0,1,0,1|2,0,0]=4 2660 B11R1.334 CCOC(=O)CN(C)C1CC1 269982a_100000226674_100000188475 [0,0,0,1,0,1|2,0,0]=4 2661 B11R1.334 CCOC(=O)CN([13CH3])C1CC1 2230a_100000220965_200025704644 [0,0,0,1,0,1|2,0,0]=4 2662 B11R1.718 CC(C)C(C)NC(=O)C1CC1 11a_100000211541_100000210395 [0,0,0,1,0,1|2,0,0]=4 2663 B11R1.718 CC(C)C(C)NC(=O)C1CC1 1626a_100000211541_100000210395 [0,0,0,1,0,1|2,0,0]=4 2664 B11R1.718 CC(C)C(C)NC(=O)C1CC1 240690a_100000211541_100000210395 [0,0,0,1,0,1|2,0,0]=4 2665 B11R1.718 CC(C)C(C)NC(=O)C1CC1 527a_100000211541_100000210395 [0,0,0,1,0,1|2,0,0]=4 2666 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)C 1458a_100009818562_200000210301 [0,0,0,1,0,1|0,0,2]=4 2667 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)[13CH3] 1458a_100009818562_200025704644 [0,0,0,1,0,1|0,0,2]=4 2668 B11R1.820 CC=CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210699 [0,0,0,1,0,1|1,0,1]=4 2669 B11R1.820 CC=CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210699 [0,0,0,1,0,1|1,0,1]=4 2670 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000211992 [0,0,0,1,0,1|1,0,0]=3 2671 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000211992 [0,0,0,1,0,1|1,0,0]=3 2672 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000211992 [0,0,0,1,0,1|1,0,0]=3 2673 B11R1.820 CCNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100015525214_206633788156 [0,0,0,1,0,1|1,0,0]=3 2674 B11R1.820 CCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100015525214_206633788156 [0,0,0,1,0,1|1,0,0]=3 2675 B11R1.820 COCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210968 [0,0,0,1,0,1|2,0,0]=4 2676 B11R1.820 COCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210968 [0,0,0,1,0,1|2,0,0]=4 2677 B11R1.820 COCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000210968 [0,0,0,1,0,1|2,0,0]=4 2678 B11R1.820 CSCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000184570 [0,0,0,1,0,1|2,0,0]=4 2679 B11R1.820 CSCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000184570 [0,0,0,1,0,1|2,0,0]=4 2680 B11R1.820 CSCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000184570 [0,0,0,1,0,1|2,0,0]=4 2681 B11R1.820 C[C@H]1[C@H](CN1C(=O)CCO)O 240690a_206633788156_100011216618 [0,0,0,1,0,1|2,0,0]=4 2682 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,0,0,1,0,1|1,0,0]=3 2683 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,0,0,1,0,1|2,0,0]=4 2684 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,0,0,1,0,1|2,0,0]=4 2685 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,0,0,1,0,1|1,0,0]=3 2686 B11R1.15 CCNC(=O)N1CCC(C1)O 2708a_100015525214_100011215560 [0,0,0,1,0,1|2,0,0]=4 2687 B11R1.15 CCNC(=O)N1CCC(C1)O 273464a_100015525214_100011215560 [0,0,0,1,0,1|2,0,0]=4 2688 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,0,0,1,0,1|2,0,0]=4 2689 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,0,0,1,0,1|2,0,0]=4 2690 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,0,0,1,0,1|2,0,0]=4 2691 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,0,0,1,0,1|2,0,0]=4 2692 B11R1.15 CNNC(=O)C1CCC(C1)O 22a_100016993582_100000688591 [0,0,0,1,0,1|2,0,0]=4 2693 B11R1.15 O=C(CCF)C1CCC(C1)O 1458a_100000688591_100011217306 [0,0,0,1,0,1|2,0,0]=4 2694 B11R1.15 O=C(CCO)C1CCC(C1)O 1458a_100000688591_100000211926 [0,0,0,1,0,1|2,0,0]=4 2695 B11R1.86 CC(C)NC1CCCCC1=O 34a_100138425928_100000754470 [0,0,0,1,0,1|2,0,0]=4 2696 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100000747585_100000210206 [0,0,0,1,0,1|2,0,0]=4 2697 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100138425928_100000687798 [0,0,0,1,0,1|2,0,0]=4 2698 B11R1.86 CC(C)NC1CCCNC1=O 34a_100000747585_100000210206 [0,0,0,1,0,1|2,0,0]=4 2699 B11R1.86 CC(C)NC1CCCNC1=O 34a_100138425928_100000687798 [0,0,0,1,0,1|2,0,0]=4 2700 B11R1.86 CC(C)OC1CCCCC1=O 34a_100000212225_100000754470 [0,0,0,1,0,1|2,0,0]=4 2701 B11R1.86 CC(C)OC1CCCCC1=O 34a_100011214950_100000210206 [0,0,0,1,0,1|2,0,0]=4 2702 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000073722_100000210206 [0,0,0,1,0,1|2,0,0]=4 2703 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000212225_100000687798 [0,0,0,1,0,1|2,0,0]=4 2704 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000204591_100000210206 [0,0,0,1,0,1|2,0,0]=4 2705 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000210206_100000204591 [0,0,0,1,0,1|2,0,0]=4 2706 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000210206_100000687798 [0,0,0,1,0,1|2,0,0]=4 2707 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000687798_100000210206 [0,0,0,1,0,1|2,0,0]=4 2708 B11R1.159 CC(C)N1CCNC(=O)C1C 2230a_100000750721_100000210206 [0,0,0,1,0,1|2,0,0]=4 2709 B11R1.159 CC(C)N1CCNC(=O)C1C 269982a_100000750721_100000210206 [0,0,0,1,0,1|2,0,0]=4 2710 B11R1.159 CC(C)N1CCNC(=O)C1C 34a_100000750721_100000210206 [0,0,0,1,0,1|2,0,0]=4 2711 B11R1.351 CCNC(=O)C(C)NC1CC1 34a_100000212008_100000230173 [0,0,0,1,0,1|2,0,0]=4 2712 B11R1.351 CCNC(=O)C(C)NC1CC1 34a_100000736553_100000211595 [0,0,0,1,0,1|2,0,0]=4 2713 B11R1.351 CCNC(=O)C(C)SC1CC1 62a_100000230173_100000211595 [0,0,0,1,0,1|2,0,0]=4 2714 B11R1.351 CCOC(=O)C(C)NC1CC1 34a_100000212008_100011216346 [0,0,0,1,0,1|1,0,0]=3 2715 B11R1.351 CCOC(=O)C(C)SC1CC1 62a_100011216346_100000211595 [0,0,0,1,0,1|1,0,0]=3 2716 B11R1.351 CCOC(=O)C(F)NC1CC1 34a_100000212008_100000760018 [0,0,0,1,0,1|2,0,0]=4 2717 B11R1.351 CCOC(=O)C(F)SC1CC1 62a_100000760018_100000211595 [0,0,0,1,0,1|2,0,0]=4 2718 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [0,0,0,1,0,1|1,0,0]=3 2719 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [0,0,0,1,0,1|1,0,0]=3 2720 B11R1.645 CC(C)OC1CC(OC1=O)C 34a_100000212225_200000216747 [0,0,0,1,0,1|1,0,0]=3 2721 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_100000210206_200000216747 [0,0,0,1,0,1|1,0,0]=3 2722 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_200000216747_100000210206 [0,0,0,1,0,1|1,0,0]=3 2723 B11R1.719 CC(C)CC(C)C(=O)C1CC1 1458a_100000210395_100000731052 [0,0,0,1,0,1|2,0,0]=4 2724 B11R1.719 CC(O)CN(C)C(=O)C1CC1 240690a_100000227577_100000210395 [0,0,0,1,0,1|2,0,0]=4 2725 B11R1.719 CC(O)CN(C)C(=O)C1CC1 527a_100000227577_100000210395 [0,0,0,1,0,1|2,0,0]=4 2726 B11R1.821 CCCC(=O)C1CC(C1)(C)C 1458a_100000695498_100000210303 [0,0,0,1,0,1|2,0,0]=4 2727 B11R1.821 CCCC(=O)N1CC(C1)(C)O 11a_100000718560_100000211992 [0,0,0,1,0,1|2,0,0]=4 2728 B11R1.821 CCCC(=O)N1CC(C1)(C)O 240690a_100000718560_100000211992 [0,0,0,1,0,1|2,0,0]=4 2729 B11R1.821 CCCC(=O)N1CC(C1)(C)O 527a_100000718560_100000211992 [0,0,0,1,0,1|2,0,0]=4 2730 B11R1.821 CCCC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_100000210303 [0,0,0,1,0,1|1,0,0]=3 2731 B11R1.821 CCNC(=O)C1CC(C1)(C)C 11a_100015525214_100000695498 [0,0,0,1,0,1|2,0,0]=4 2732 B11R1.821 CCNC(=O)C1CC(C1)(C)C 240690a_100015525214_100000695498 [0,0,0,1,0,1|2,0,0]=4 2733 B11R1.821 CCNC(=O)C1CC(C1)(C)C 527a_100015525214_100000695498 [0,0,0,1,0,1|2,0,0]=4 2734 B11R1.821 CCNC(=O)N1CC(C1)(C)O 2708a_100015525214_100000718560 [0,0,0,1,0,1|2,0,0]=4 2735 B11R1.821 CCNC(=O)N1CC(C1)(C)O 273464a_100015525214_100000718560 [0,0,0,1,0,1|2,0,0]=4 2736 B11R1.821 CCNC(=O)[C@H]1C[C@@](C1)(C)O 240690a_100015525214_100010742821 [0,0,0,1,0,1|1,0,0]=3 2737 B11R1.821 CCNC(=O)[C@H]1C[C@@](C1)(C)O 527a_100015525214_100010742821 [0,0,0,1,0,1|1,0,0]=3 2738 B11R1.821 CNNC(=O)[C@H]1C[C@@](C1)(C)O 22a_100016993582_100010742821 [0,0,0,1,0,1|2,0,0]=4 2739 B11R1.821 C[C@@]1(C[C@H](C1)C(=O)CCF)O 1458a_100010742821_100011217306 [0,0,0,1,0,1|2,0,0]=4 2740 B11R1.821 C[C@@]1(C[C@H](C1)C(=O)CCO)O 1458a_100010742821_100000211926 [0,0,0,1,0,1|2,0,0]=4 2741 B11R1.503 CC(C)C(C)C(=O)CC1CC1 1458a_100000755409_100000742324 [0,1,0,1,0,0|2,0,0]=4 2742 B11R1.503 CC(C)C(C)C(=O)CC1CO1 1458a_100000755409_100011216344 [0,1,0,1,0,0|2,0,0]=4 2743 B11R1.503 CC(C)C(C)C(=O)CC1CS1 1458a_100000755409_100000031435 [0,1,0,1,0,0|2,0,0]=4 2744 B11R1.503 CC(C)C(C)C(=O)C[C@@H]1CO1 1458a_100000755409_100000745022 [0,1,0,1,0,0|2,0,0]=4 2745 B11R1.503 CC(C)C(C)C(=O)NC1CC1 1626a_100000212008_100000755409 [0,1,0,1,0,0|2,0,0]=4 2746 B11R1.503 CC(C)C(C)C(=O)NC1CC1 240690a_100000212008_100000755409 [0,1,0,1,0,0|2,0,0]=4 2747 B11R1.503 CC(C)C(C)C(=O)NC1CC1 527a_100000212008_100000755409 [0,1,0,1,0,0|2,0,0]=4 2748 B11R1.1263 CC(C)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210624 [0,1,0,1,0,0|2,0,0]=4 2749 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 11a_100138425928_100000692687 [0,1,0,1,0,0|2,0,0]=4 2750 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 1626a_100138425928_100000692687 [0,1,0,1,0,0|2,0,0]=4 2751 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 240690a_100138425928_100000692687 [0,1,0,1,0,0|2,0,0]=4 2752 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 527a_100138425928_100000692687 [0,1,0,1,0,0|2,0,0]=4 2753 B11R1.1263 CC(O)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100011218427 [0,1,0,1,0,0|2,0,0]=4 2754 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,1,0,1,0,0|2,0,0]=4 2755 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,1,0,1,0,0|2,0,0]=4 2756 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,1,0,1,0,0|2,0,0]=4 2757 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,1,0,1,0,0|2,0,0]=4 2758 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,1,0,1,0,0|2,0,0]=4 2759 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,1,0,1,0,0|2,0,0]=4 2760 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,1,0,1,0,0|2,0,0]=4 2761 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,1,0,1,0,0|2,0,0]=4 2762 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [0,1,0,1,0,0|1,1,0]=4 2763 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [0,1,0,1,0,0|1,1,0]=4 2764 B11R1.225 CC1CC(C(=O)O1)C(=O)CO 1458a_100000210174_200000216747 [0,1,0,1,0,0|0,0,2]=4 2765 B11R1.225 CCC(=O)C1CC(OC1=O)C 1458a_100000210414_200000216747 [0,1,0,1,0,0|0,0,2]=4 2766 B11R1.225 CCN(C)C1CC(OC1=O)C 2230a_100000225621_200000216747 [0,1,0,1,0,0|2,0,0]=4 2767 B11R1.225 CCN(C)C1CC(OC1=O)C 269982a_100000225621_200000216747 [0,1,0,1,0,0|2,0,0]=4 2768 B11R1.349 CCCC(=O)N(C)C1COC1 11a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 2769 B11R1.349 CCCC(=O)N(C)C1COC1 1626a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 2770 B11R1.349 CCCC(=O)N(C)C1COC1 240690a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 2771 B11R1.349 CCCC(=O)N(C)C1COC1 527a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 2772 B11R1.349 CCNC(=O)N(C)C1COC1 2708a_100015525214_100102693430 [0,1,0,1,0,0|2,0,0]=4 2773 B11R1.349 CCNC(=O)N(C)C1COC1 273464a_100015525214_100102693430 [0,1,0,1,0,0|2,0,0]=4 2774 B11R1.349 CCOC(=O)C(C)N1CCC1 269982a_100000754969_100011216346 [0,1,0,1,0,0|2,0,0]=4 2775 B11R1.385 CC(CO)N(C)C(=O)C1CC1 240690a_100000693034_100000210395 [0,1,0,1,0,0|2,0,0]=4 2776 B11R1.385 CC(CO)N(C)C(=O)C1CC1 527a_100000693034_100000210395 [0,1,0,1,0,0|2,0,0]=4 2777 B11R1.835 CCOC(=O)C1(CC1)C(=O)C 1458a_100000055151_200000210301 [0,1,0,1,0,0|0,0,2]=4 2778 B11R1.835 CCOC(=O)C1(CC1)C(=O)C 1458a_100000070787_100009861064 [0,1,0,1,0,0|0,0,2]=4 2779 B11R1.835 CCOC(=O)C1(CC1)C(=O)[13CH3] 1458a_100000055151_200025704644 [0,1,0,1,0,0|0,0,2]=4 2780 B11R1.501 CC(=O)C(C)C(=O)C1CCO1 1458a_100000089072_100000179758 [0,1,0,1,0,0|0,0,2]=4 2781 B11R1.501 CC(C)C(C)C(=O)C1CCC1 1458a_100000755409_100000749161 [0,1,0,1,0,0|2,0,0]=4 2782 B11R1.501 CC(C)C(C)C(=O)C1COC1 1458a_100000755409_100000687716 [0,1,0,1,0,0|2,0,0]=4 2783 B11R1.501 CC(C)C(C)C(=O)N1CCC1 11a_100000754969_100000755409 [0,1,0,1,0,0|2,0,0]=4 2784 B11R1.501 CC(C)C(C)C(=O)N1CCC1 240690a_100000754969_100000755409 [0,1,0,1,0,0|2,0,0]=4 2785 B11R1.501 CC(C)C(C)C(=O)N1CCC1 527a_100000754969_100000755409 [0,1,0,1,0,0|2,0,0]=4 2786 B11R1.501 CC(C)N(C)C(=O)C1CCO1 11a_200000211004_100000089072 [0,1,0,1,0,0|2,0,0]=4 2787 B11R1.501 CC(C)N(C)C(=O)C1CCO1 1626a_200000211004_100000089072 [0,1,0,1,0,0|2,0,0]=4 2788 B11R1.501 CC(C)N(C)C(=O)C1CCO1 240690a_200000211004_100000089072 [0,1,0,1,0,0|2,0,0]=4 2789 B11R1.501 CC(C)N(C)C(=O)C1CCO1 527a_200000211004_100000089072 [0,1,0,1,0,0|2,0,0]=4 2790 B11R1.1006 CCC(C)C(=O)[C@H]1CC1(C)C 1458a_100000692687_100000758301 [0,1,0,1,0,0|2,0,0]=4 2791 B11R1.1006 CCN(C)C(=O)[C@H]1CC1(C)C 11a_100000225621_100000692687 [0,1,0,1,0,0|2,0,0]=4 2792 B11R1.1006 CCN(C)C(=O)[C@H]1CC1(C)C 1626a_100000225621_100000692687 [0,1,0,1,0,0|2,0,0]=4 2793 B11R1.1006 CCN(C)C(=O)[C@H]1CC1(C)C 240690a_100000225621_100000692687 [0,1,0,1,0,0|2,0,0]=4 2794 B11R1.1006 CCN(C)C(=O)[C@H]1CC1(C)C 527a_100000225621_100000692687 [0,1,0,1,0,0|2,0,0]=4 2795 B11R1.286 CCOCC(=O)C1CCC1=O 1458a_100000211967_100009892977 [0,1,0,1,0,0|0,0,2]=4 2796 B11R1.286 CCOCC(=O)N1CCC1C 11a_100000755817_100000211967 [0,1,0,1,0,0|2,0,0]=4 2797 B11R1.286 CCOCC(=O)N1CCC1C 240690a_100000755817_100000211967 [0,1,0,1,0,0|2,0,0]=4 2798 B11R1.286 CCOCC(=O)N1CCC1C 527a_100000755817_100000211967 [0,1,0,1,0,0|2,0,0]=4 2799 B11R1.526 CCOCC(=O)N(C)C1CC1 11a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 2800 B11R1.526 CCOCC(=O)N(C)C1CC1 1626a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 2801 B11R1.526 CCOCC(=O)N(C)C1CC1 240690a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 2802 B11R1.526 CCOCC(=O)N(C)C1CC1 527a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 2803 B11R1.995 CC1(C[C@@H]1C(=O)CCCF)C 1458a_100000692687_100011934791 [0,1,0,1,0,0|2,0,0]=4 2804 B11R1.995 CC1(C[C@@H]1C(=O)CCCO)C 1458a_100000692687_100011215043 [0,1,0,1,0,0|2,0,0]=4 2805 B11R1.995 CC1(C[C@@H]1C(=O)NCCF)C 11a_100000724931_100000692687 [0,1,0,1,0,0|2,0,0]=4 2806 B11R1.995 CC1(C[C@@H]1C(=O)NCCF)C 1626a_100000724931_100000692687 [0,1,0,1,0,0|2,0,0]=4 2807 B11R1.995 CC1(C[C@@H]1C(=O)NCCF)C 240690a_100000724931_100000692687 [0,1,0,1,0,0|2,0,0]=4 2808 B11R1.995 CC1(C[C@@H]1C(=O)NCCF)C 527a_100000724931_100000692687 [0,1,0,1,0,0|2,0,0]=4 2809 B11R1.995 CC1(C[C@@H]1C(=O)NCCO)C 240690a_100000210304_100000692687 [0,1,0,1,0,0|2,0,0]=4 2810 B11R1.995 CC1(C[C@@H]1C(=O)NCCO)C 527a_100000210304_100000692687 [0,1,0,1,0,0|2,0,0]=4 2811 B11R1.995 CCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210211 [0,1,0,1,0,0|2,0,0]=4 2812 B11R1.995 CCCNC(=O)[C@H]1CC1(C)C 11a_100020643023_100000692687 [0,1,0,1,0,0|2,0,0]=4 2813 B11R1.995 CCCNC(=O)[C@H]1CC1(C)C 1626a_100020643023_100000692687 [0,1,0,1,0,0|2,0,0]=4 2814 B11R1.995 CCCNC(=O)[C@H]1CC1(C)C 240690a_100020643023_100000692687 [0,1,0,1,0,0|2,0,0]=4 2815 B11R1.995 CCCNC(=O)[C@H]1CC1(C)C 527a_100020643023_100000692687 [0,1,0,1,0,0|2,0,0]=4 2816 B11R1.995 CCNNC(=O)[C@H]1CC1(C)C 22a_100000756455_100000692687 [0,1,0,1,0,0|2,0,0]=4 2817 B11R1.995 COCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000233755 [0,1,0,1,0,0|2,0,0]=4 2818 B11R1.995 CSCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000751147 [0,1,0,1,0,0|2,0,0]=4 2819 B11R1.156 CC(C)C1C(=O)NCCN1C 2230a_100000751287_200000210301 [0,1,0,1,0,0|2,0,0]=4 2820 B11R1.156 CC(C)C1C(=O)NCCN1C 269982a_100000751287_200000210301 [0,1,0,1,0,0|2,0,0]=4 2821 B11R1.156 CC(C)C1C(=O)NCCN1C 34a_100000751287_200000210301 [0,1,0,1,0,0|2,0,0]=4 2822 B11R1.156 CC(C)C1C(=O)NCCN1[13CH3] 2230a_100000751287_200025704644 [0,1,0,1,0,0|2,0,0]=4 2823 B11R1.156 CC(C)C1C(=O)NCCN1[13CH3] 269982a_100000751287_200025704644 [0,1,0,1,0,0|2,0,0]=4 2824 B11R1.156 CC(C)C1C(=O)NCCN1[13CH3] 34a_100000751287_200025704644 [0,1,0,1,0,0|2,0,0]=4 2825 B11R1.823 CCOC(=O)C(NC)C1CC1 2230a_106832991635_100010073418 [0,1,0,1,0,0|1,0,0]=3 2826 B11R1.823 CCOC(=O)C(NC)C1CC1 34a_100102657272_100010073418 [0,1,0,1,0,0|1,0,0]=3 2827 B11R1.823 CCOC(=O)C(NC)C1CC1 7a_106832991635_100010073418 [0,1,0,1,0,0|1,0,0]=3 2828 B11R1.823 CCOC(=O)C(OC)C1CC1 34a_100138415774_100010073418 [0,1,0,1,0,0|1,0,0]=3 2829 B11R1.823 CCOC(=O)C(SC)C1CC1 62a_100010073418_200000210301 [0,1,0,1,0,0|1,0,0]=3 2830 B11R1.823 CCOC(=O)C(SC)C1CC1 62a_200000210301_100010073418 [0,1,0,1,0,0|1,0,0]=3 2831 B11R1.823 CCOC(=O)C(S[13CH3])C1CC1 62a_100010073418_200025704644 [0,1,0,1,0,0|1,0,0]=3 2832 B11R1.823 CCOC(=O)C(S[13CH3])C1CC1 62a_200025704644_100010073418 [0,1,0,1,0,0|1,0,0]=3 2833 B11R1.1064 CC(=O)C1(CCOC1=O)S[13CH3] 62a_100000088255_200025704644 [0,1,0,1,0,0|0,0,2]=4 2834 B11R1.1064 CC(=O)C1(CCOC1=O)S[13CH3] 62a_200025704644_100000088255 [0,1,0,1,0,0|0,0,2]=4 2835 B11R1.1064 CNC1(CCOC1=O)C(=O)C 34a_100102657272_100000088255 [0,1,0,1,0,0|0,0,2]=4 2836 B11R1.1064 COC1(CCOC1=O)C(=O)C 34a_100138415774_100000088255 [0,1,0,1,0,0|0,0,2]=4 2837 B11R1.1064 CSC1(CCOC1=O)C(=O)C 62a_100000088255_200000210301 [0,1,0,1,0,0|0,0,2]=4 2838 B11R1.1064 CSC1(CCOC1=O)C(=O)C 62a_200000210301_100000088255 [0,1,0,1,0,0|0,0,2]=4 2839 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [1,0,0,0,0,1|1,0,1]=4 2840 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [1,0,0,0,0,1|2,0,0]=4 2841 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [1,0,0,0,0,1|2,0,0]=4 2842 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [1,0,0,0,0,1|1,0,1]=4 2843 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [1,0,0,0,0,1|1,0,1]=4 2844 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [1,0,0,0,0,1|1,0,1]=4 2845 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,0,0,0,0,1|2,0,0]=4 2846 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,0,0,0,0,1|2,0,0]=4 2847 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,0,0,0,0,1|1,0,0]=3 2848 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [1,0,0,0,0,1|2,0,0]=4 2849 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,0,0,0,0,1|2,0,0]=4 2850 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [1,0,0,0,0,1|2,0,0]=4 2851 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [1,0,0,0,0,1|2,0,0]=4 2852 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [1,0,0,0,0,1|2,0,0]=4 2853 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [1,0,0,0,0,1|2,0,0]=4 2854 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [1,0,0,0,0,1|2,0,0]=4 2855 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [1,0,0,0,0,1|2,0,0]=4 2856 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [1,0,0,0,0,1|2,0,0]=4 2857 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [1,0,0,0,0,1|1,0,0]=3 2858 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [1,0,0,0,0,1|1,0,0]=3 2859 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [1,0,0,0,0,1|1,0,0]=3 2860 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,0,0,0,0,1|2,0,0]=4 2861 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,0,0,0,0,1|2,0,0]=4 2862 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,0,0,0,0,1|2,0,0]=4 2863 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [1,0,0,0,0,1|2,0,0]=4 2864 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [1,0,0,0,0,1|2,0,0]=4 2865 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [1,0,0,0,0,1|2,0,0]=4 2866 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [1,0,0,0,0,1|2,0,0]=4 2867 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [1,0,0,0,0,1|2,0,0]=4 2868 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [1,0,0,0,0,1|2,0,0]=4 2869 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [1,0,0,0,0,1|2,0,0]=4 2870 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [1,0,0,0,0,1|2,0,0]=4 2871 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [1,0,0,0,0,1|2,0,0]=4 2872 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [1,0,0,0,0,1|2,0,0]=4 2873 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [1,0,0,0,0,1|2,0,0]=4 2874 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [1,0,0,0,0,1|2,0,0]=4 2875 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [1,0,0,0,0,1|2,0,0]=4 2876 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [1,0,0,0,0,1|2,0,0]=4 2877 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [1,0,0,0,0,1|2,0,0]=4 2878 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [1,0,0,0,0,1|2,0,0]=4 2879 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [1,0,0,0,0,1|2,0,0]=4 2880 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [1,0,0,0,0,1|2,0,0]=4 2881 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [1,0,0,0,0,1|1,0,0]=3 2882 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [1,0,0,0,0,1|1,0,0]=3 2883 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [1,0,0,0,0,1|1,0,0]=3 2884 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [1,0,0,0,0,1|1,0,0]=3 2885 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [1,0,0,0,0,1|1,0,0]=3 2886 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [1,0,0,0,0,1|0,0,2]=4 2887 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [1,0,0,0,0,1|0,0,2]=4 2888 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [1,0,0,0,0,1|2,0,0]=4 2889 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [1,0,0,0,0,1|2,0,0]=4 2890 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [1,0,0,0,0,1|2,0,0]=4 2891 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [1,0,0,0,0,1|2,0,0]=4 2892 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [1,0,0,0,0,1|2,0,0]=4 2893 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [1,0,0,0,0,1|2,0,0]=4 2894 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [1,0,0,0,0,1|0,0,2]=4 2895 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [1,0,0,0,0,1|1,0,0]=3 2896 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [1,0,0,0,0,1|1,0,0]=3 2897 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [1,0,0,0,0,1|1,0,0]=3 2898 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [1,0,0,0,0,1|1,0,0]=3 2899 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [1,0,0,0,0,1|1,0,0]=3 2900 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [1,0,0,0,0,1|0,0,2]=4 2901 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [1,0,0,0,0,1|0,0,2]=4 2902 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [1,0,0,0,0,1|2,0,0]=4 2903 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [1,0,0,0,0,1|2,0,0]=4 2904 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [1,0,0,0,0,1|2,0,0]=4 2905 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [1,0,0,0,0,1|2,0,0]=4 2906 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [1,0,0,0,0,1|2,0,0]=4 2907 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [1,0,0,0,0,1|2,0,0]=4 2908 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [1,0,0,0,0,1|2,0,0]=4 2909 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [1,0,0,0,0,1|2,0,0]=4 2910 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [1,0,0,0,0,1|2,0,0]=4 2911 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [1,0,0,0,0,1|2,0,0]=4 2912 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [1,0,0,0,0,1|2,0,0]=4 2913 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,0,0,0,0,2|2,0,0]=4 2914 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,0,0,0,0,2|2,0,0]=4 2915 B11R0.1 CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211992 [0,0,0,0,0,2|2,0,0]=4 2916 B11R0.1 CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211992 [0,0,0,0,0,2|2,0,0]=4 2917 B11R0.1 CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211992 [0,0,0,0,0,2|2,0,0]=4 2918 B11R0.1 CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211992 [0,0,0,0,0,2|2,0,0]=4 2919 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000227577_100000183381 [0,0,0,0,0,2|2,0,0]=4 2920 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000741943_100011218427 [0,0,0,0,0,2|2,0,0]=4 2921 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000227577_100000183381 [0,0,0,0,0,2|2,0,0]=4 2922 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000741943_100011218427 [0,0,0,0,0,2|2,0,0]=4 2923 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 2230a_100000741943_100009817552 [0,0,0,0,0,2|2,0,0]=4 2924 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 269982a_100000741943_100009817552 [0,0,0,0,0,2|2,0,0]=4 2925 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100000692259_100015525214 [0,0,0,0,0,2|2,0,0]=4 2926 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100015525214_100000692259 [0,0,0,0,0,2|2,0,0]=4 2927 B11R0.1 CCNC(=O)NC(C)CC(C)C 273464a_100000692259_100015525214 [0,0,0,0,0,2|2,0,0]=4 2928 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100000692259_100015525214 [0,0,0,0,0,2|2,0,0]=4 2929 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100015525214_100000692259 [0,0,0,0,0,2|2,0,0]=4 2930 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,0,0,0,0,2|1,0,1]=4 2931 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,0,0,0,0,2|1,0,1]=4 2932 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,0,0,0,0,2|0,0,2]=4 2933 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,0,0,0,0,2|1,0,0]=3 2934 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,0,0,0,0,2|1,0,0]=3 2935 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,0,0,0,0,2|1,0,0]=3 2936 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,0,0,0,0,2|2,0,0]=4 2937 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,0,0,0,0,2|2,0,0]=4 2938 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,0,0,0,0,2|2,0,0]=4 2939 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,0,0,0,0,2|2,0,0]=4 2940 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000220588_100011218427 [0,0,0,0,0,2|1,0,0]=3 2941 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000188475 [0,0,0,0,0,2|1,0,0]=3 2942 B11R0.1 CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000188475 [0,0,0,0,0,2|1,0,0]=3 2943 B11R0.1 CCOC(=O)CN(C)C[C@@H](C)O 2230a_100000220588_100009817552 [0,0,0,0,0,2|1,0,0]=3 2944 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,0,0,0,0,2|1,0,0]=3 2945 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000036008_100000210206 [0,0,0,0,0,2|1,0,0]=3 2946 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000210206_100000036008 [0,0,0,0,0,2|1,0,0]=3 2947 B11R0.141 CCCC(=O)CNC(C)C(C)C 2230a_100000211541_100000747444 [0,0,0,0,0,2|2,0,0]=4 2948 B11R0.141 CCCC(=O)COC(C)C(C)C 7a_100000748068_100000747444 [0,0,0,0,0,2|2,0,0]=4 2949 B11R0.141 CCCC(=O)NN=C(C)C(C)O 4a_100000189770_100000212229 [0,0,0,0,0,2|1,0,1]=4 2950 B11R0.141 CCNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183381 [0,0,0,0,0,2|2,0,0]=4 2951 B11R0.141 CCNC(=O)COC(C)C(C)C 7a_100000748068_100000183381 [0,0,0,0,0,2|2,0,0]=4 2952 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,0,0,0,0,2|0,0,2]=4 2953 B11R0.141 CCOC(=O)CCC(C)N(C)C 2230a_100102631434_100000748298 [0,0,0,0,0,2|2,0,0]=4 2954 B11R0.141 CCOC(=O)CCC(C)N(C)C 269982a_100102631434_100000748298 [0,0,0,0,0,2|2,0,0]=4 2955 B11R0.141 CCOC(=O)CCN(C)C(C)C 2230a_100000745921_100000210206 [0,0,0,0,0,2|2,0,0]=4 2956 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100000745921_100000210206 [0,0,0,0,0,2|2,0,0]=4 2957 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100011277713_200000210301 [0,0,0,0,0,2|2,0,0]=4 2958 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_200000211004_100011206558 [0,0,0,0,0,2|2,0,0]=4 2959 B11R0.141 CCOC(=O)CCN([13CH3])C(C)C 269982a_100011277713_200025704644 [0,0,0,0,0,2|2,0,0]=4 2960 B11R0.141 CCOC(=O)CNC(=O)[C@@H](C)O 188690a_100000741813_100000717761 [0,0,0,0,0,2|1,0,1]=4 2961 B11R0.141 CCOC(=O)CNC(=O)[C@H](C)O 188690a_100000741813_217856618621 [0,0,0,0,0,2|1,0,1]=4 2962 B11R0.141 CCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000188475 [0,0,0,0,0,2|1,0,0]=3 2963 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000188475 [0,0,0,0,0,2|1,0,1]=4 2964 B11R0.141 CCOC(=O)COC(C)C(=O)C 34a_100000212229_100000188475 [0,0,0,0,0,2|0,0,2]=4 2965 B11R0.141 CCOC(=O)COC(C)C(C)C 7a_100000748068_100000188475 [0,0,0,0,0,2|1,0,0]=3 2966 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100000188475_100009814033 [0,0,0,0,0,2|0,0,2]=4 2967 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000188475 [0,0,0,0,0,2|0,0,2]=4 2968 B11R0.59 C=C(C)COC(C)C(=O)OCC 34a_100000210245_100011216346 [0,0,0,0,0,2|1,0,1]=4 2969 B11R0.59 C=C(C)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000748629 [0,0,0,0,0,2|1,0,1]=4 2970 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100000748629_100011216346 [0,0,0,0,0,2|1,0,1]=4 2971 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100011216346_100000211660 [0,0,0,0,0,2|1,0,1]=4 2972 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [0,0,0,0,0,2|2,0,0]=4 2973 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000230173 [0,0,0,0,0,2|2,0,0]=4 2974 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000736553_100000210760 [0,0,0,0,0,2|2,0,0]=4 2975 B11R0.59 CCNC(=O)C(C)NCC(C)C 270004a_100000736553_100000210432 [0,0,0,0,0,2|2,0,0]=4 2976 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000210953_100000230173 [0,0,0,0,0,2|2,0,0]=4 2977 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000736553_100000210624 [0,0,0,0,0,2|2,0,0]=4 2978 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000210904_100000230173 [0,0,0,0,0,2|1,0,0]=3 2979 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000736553_100011218427 [0,0,0,0,0,2|1,0,0]=3 2980 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000210904_100000230173 [0,0,0,0,0,2|1,0,0]=3 2981 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000736553_100011218427 [0,0,0,0,0,2|1,0,0]=3 2982 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 2230a_100000736553_100009817552 [0,0,0,0,0,2|1,0,0]=3 2983 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 34a_100000736553_100009817552 [0,0,0,0,0,2|1,0,0]=3 2984 B11R0.59 CCNC(=O)C(C)OCC(C)Br 34a_100012180447_100000230173 [0,0,0,0,0,2|2,0,0]=4 2985 B11R0.59 CCNC(=O)C(C)OCC(C)C 34a_100000210257_100000230173 [0,0,0,0,0,2|2,0,0]=4 2986 B11R0.59 CCNC(=O)C(C)OCC(C)F 34a_100015925927_100000230173 [0,0,0,0,0,2|2,0,0]=4 2987 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000230173 [0,0,0,0,0,2|2,0,0]=4 2988 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000230173 [0,0,0,0,0,2|2,0,0]=4 2989 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000210624_100000230173 [0,0,0,0,0,2|2,0,0]=4 2990 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000230173_100000210760 [0,0,0,0,0,2|2,0,0]=4 2991 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100000230173_100011218427 [0,0,0,0,0,2|1,0,0]=3 2992 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100011218427_100000230173 [0,0,0,0,0,2|1,0,0]=3 2993 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100000230173_100009817552 [0,0,0,0,0,2|1,0,0]=3 2994 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000230173 [0,0,0,0,0,2|1,0,0]=3 2995 B11R0.59 CCOC(=O)C(=NNC(C)C)C 4a_100000741168_100000209952 [0,0,0,0,0,2|1,0,1]=4 2996 B11R0.59 CCOC(=O)C(=O)NCC(C)O 11a_100000210904_100014798877 [0,0,0,0,0,2|1,0,1]=4 2997 B11R0.59 CCOC(=O)C(=O)NCC(C)O 240690a_100000210904_100014798877 [0,0,0,0,0,2|1,0,1]=4 2998 B11R0.59 CCOC(=O)C(C)NCC(C)C 2230a_100000210953_100011215307 [0,0,0,0,0,2|1,0,0]=3 2999 B11R0.59 CCOC(=O)C(C)NCC(C)C 34a_100000210953_100011216346 [0,0,0,0,0,2|1,0,0]=3 3000 B11R0.59 CCOC(=O)C(C)NCC(C)O 2230a_100000210904_100011215307 [0,0,0,0,0,2|0,0,0]=2 3001 B11R0.59 CCOC(=O)C(C)NCC(C)O 34a_100000210904_100011216346 [0,0,0,0,0,2|0,0,0]=2 3002 B11R0.59 CCOC(=O)C(C)NCC(F)F 34a_100000765723_100011216346 [0,0,0,0,0,2|2,0,0]=4 3003 B11R0.59 CCOC(=O)C(C)OCC(=O)C 34a_100000211253_100011216346 [0,0,0,0,0,2|0,0,2]=4 3004 B11R0.59 CCOC(=O)C(C)OCC(C)Br 34a_100012180447_100011216346 [0,0,0,0,0,2|1,0,0]=3 3005 B11R0.59 CCOC(=O)C(C)OCC(C)C 34a_100000210257_100011216346 [0,0,0,0,0,2|1,0,0]=3 3006 B11R0.59 CCOC(=O)C(C)OCC(C)F 34a_100015925927_100011216346 [0,0,0,0,0,2|1,0,0]=3 3007 B11R0.59 CCOC(=O)C(C)OCC(F)F 34a_100000743014_100011216346 [0,0,0,0,0,2|2,0,0]=4 3008 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100011216346 [0,0,0,0,0,2|1,0,0]=3 3009 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100011216346 [0,0,0,0,0,2|1,0,0]=3 3010 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100000210624_100011216346 [0,0,0,0,0,2|1,0,0]=3 3011 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100011216346_100000210760 [0,0,0,0,0,2|1,0,0]=3 3012 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011216346_100011218427 [0,0,0,0,0,2|0,0,0]=2 3013 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011218427_100011216346 [0,0,0,0,0,2|0,0,0]=2 3014 B11R0.59 CCOC(=O)C(C)SCC(F)F 62a_100011216346_100011934356 [0,0,0,0,0,2|2,0,0]=4 3015 B11R0.59 CCOC(=O)C(C)SCC(F)F 62a_100011934356_100011216346 [0,0,0,0,0,2|2,0,0]=4 3016 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100011216346 [0,0,0,0,0,2|0,0,0]=2 3017 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100011216346_100009817552 [0,0,0,0,0,2|0,0,0]=2 3018 B11R0.59 CCOC(=O)C(F)NCC(C)C 2230a_100000210953_100000760018 [0,0,0,0,0,2|2,0,0]=4 3019 B11R0.59 CCOC(=O)C(F)NCC(C)C 34a_100000210953_100000760018 [0,0,0,0,0,2|2,0,0]=4 3020 B11R0.59 CCOC(=O)C(F)NCC(C)O 2230a_100000210904_100000760018 [0,0,0,0,0,2|1,0,0]=3 3021 B11R0.59 CCOC(=O)C(F)NCC(C)O 34a_100000210904_100000760018 [0,0,0,0,0,2|1,0,0]=3 3022 B11R0.59 CCOC(=O)C(F)OCC(C)Br 34a_100012180447_100000760018 [0,0,0,0,0,2|2,0,0]=4 3023 B11R0.59 CCOC(=O)C(F)OCC(C)C 34a_100000210257_100000760018 [0,0,0,0,0,2|2,0,0]=4 3024 B11R0.59 CCOC(=O)C(F)OCC(C)F 34a_100015925927_100000760018 [0,0,0,0,0,2|2,0,0]=4 3025 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)Cl 34a_100016084084_100000760018 [0,0,0,0,0,2|2,0,0]=4 3026 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)N 34a_100000737577_100000760018 [0,0,0,0,0,2|2,0,0]=4 3027 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000210624_100000760018 [0,0,0,0,0,2|2,0,0]=4 3028 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000760018_100000210760 [0,0,0,0,0,2|2,0,0]=4 3029 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100000760018_100011218427 [0,0,0,0,0,2|1,0,0]=3 3030 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100011218427_100000760018 [0,0,0,0,0,2|1,0,0]=3 3031 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100000760018_100009817552 [0,0,0,0,0,2|1,0,0]=3 3032 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100009817552_100000760018 [0,0,0,0,0,2|1,0,0]=3 3033 B11R0.59 CCOC(=O)[C@H](C)OCC(C)C 7a_100000751109_100000210760 [0,0,0,0,0,2|1,0,0]=3 3034 B11R0.59 CCOC(=O)[C@H](C)OCC(C)O 7a_100000751109_100011218427 [0,0,0,0,0,2|0,0,0]=2 3035 B11R0.59 CCOC(=O)[C@H](C)OCC(F)F 7a_100000751109_100011934356 [0,0,0,0,0,2|2,0,0]=4 3036 B11R0.59 CCOC(=O)[C@H](C)OC[C@@H](C)O 7a_100000751109_100009817552 [0,0,0,0,0,2|0,0,0]=2 3037 B11R0.59 CCSC(=O)[C@H](C)NCC(C)C 2230a_100103168634_100000210760 [0,0,0,0,0,2|1,1,0]=4 3038 B11R0.59 CCSC(=O)[C@H](C)NCC(C)O 2230a_100103168634_100011218427 [0,0,0,0,0,2|0,1,0]=3 3039 B11R0.59 CCSC(=O)[C@H](C)NC[C@@H](C)O 2230a_100103168634_100009817552 [0,0,0,0,0,2|0,1,0]=3