0 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100000707721_100015525214 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100015525214_100000707721 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100000707721_100015525214 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100015525214_100000707721 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.34 C#CC(C)NC(=O)NCC 512a_100000707721_100015525214 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.34 C#CC(C)NC(=O)NCC 512a_100015525214_100000707721 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [0,0,0,0,0,0|1,0,2]=3 12 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011220946_100011218378 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011667805_100000184674 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.34 C#CCC(=O)CN(C)CC 1458a_100116209913_100000184674 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.34 C#CCC(=O)C[C@@H](C)CO 1458a_100011220946_100000059175 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.34 C#CCC(=O)NC(C)CC 1626a_100000209981_100011220946 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.34 C#CCC(=O)NC(C)CC 527a_100000209981_100011220946 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,0,0,0,0,0|1,0,3]=4 22 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,0,0,0,0,0|1,0,2]=3 23 B9R0.34 C=CC(C)CC(=O)CCF 1458a_100011934298_100011217306 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.34 C=CC(C)CC(=O)CCO 1458a_100011934298_100000211926 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.34 C=CC(C)CC(=O)NNC 22a_100016993582_100011934298 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,0,0,0,0,0|1,0,2]=3 30 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.34 C=CCC(=O)CN(C)CC 1458a_100116209913_100000210623 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,0,0,0,0,0|1,0,2]=3 35 B9R0.34 C=CCC(=O)C[C@@H](C)CO 1458a_100000210193_100000059175 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.34 C=CCC(=O)NC(C)CC 11a_100000209981_100000210193 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.34 C=CCC(=O)NC(C)CC 1626a_100000209981_100000210193 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.34 C=CCC(=O)NC(C)CC 240690a_100000209981_100000210193 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.34 C=CCC(=O)NC(C)CC 527a_100000209981_100000210193 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,0,0,0,0,0|1,0,3]=4 41 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,0,0,0,0,0|1,0,2]=3 42 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,0,0,0,0,0|1,0,2]=3 43 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,0,0,0,0,0|1,0,1]=2 45 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,0,0,0,0,0|2,0,1]=3 46 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,0,0,0,0,0|1,0,1]=2 47 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,0,0,0,0,0|2,0,1]=3 48 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,0,0,0,0,0|1,0,1]=2 50 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,0,0,0,0,0|2,0,1]=3 51 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,0,0,0,0,0|1,0,1]=2 52 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,0,0,0,0,0|2,0,1]=3 53 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,0,0,0,0,0|2,0,1]=3 54 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,0,0,0,0,0|2,0,1]=3 55 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,0,0,0,0,0|2,0,1]=3 56 B9R0.34 CC=CC(=O)N[C@H](C)CF 11a_100102880703_100000210699 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.34 CC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000210699 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.34 CC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000210699 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.34 CC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000210699 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.34 CCC(=CC(=O)NNC)C 22a_100016993582_100020758463 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,0,0,0,0,0|2,0,1]=3 69 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,0,0,0,0,0|2,0,1]=3 70 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [0,0,0,0,0,0|2,0,1]=3 71 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,0,0,0,0,0|2,0,0]=2 73 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,0,0,0,0,0|2,0,0]=2 74 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,0,0,0,0,0|2,0,0]=2 75 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,0,0,0,0,0|2,0,0]=2 76 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,0,0,0,0,0|2,0,0]=2 77 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,0,0,0,0,0|2,0,0]=2 78 B9R0.34 CCC(C)CN(C)CCF 2230a_100000753921_100011217306 [0,0,0,0,0,0|4,0,0]=4 79 B9R0.34 CCC(C)CN(C)CCF 269982a_100000753921_100011217306 [0,0,0,0,0,0|4,0,0]=4 80 B9R0.34 CCC(C)CN(C)CCO 2230a_100000210263_100000748023 [0,0,0,0,0,0|4,0,0]=4 81 B9R0.34 CCC(C)CN(C)CCO 2230a_100000753921_100000211926 [0,0,0,0,0,0|4,0,0]=4 82 B9R0.34 CCC(C)CN(C)CCO 269982a_100000210263_100000748023 [0,0,0,0,0,0|4,0,0]=4 83 B9R0.34 CCC(C)CN(C)CCO 269982a_100000753921_100000211926 [0,0,0,0,0,0|4,0,0]=4 84 B9R0.34 CCC(C)CN(C)CCO 270004a_100000210263_100000243153 [0,0,0,0,0,0|4,0,0]=4 85 B9R0.34 CCC(C)CN(C)COC 2230a_100000753921_100000766300 [0,0,0,0,0,0|4,0,0]=4 86 B9R0.34 CCC(C)CN(C)COC 269982a_100000753921_100000766300 [0,0,0,0,0,0|4,0,0]=4 87 B9R0.34 CCC(C)CN(C)CSC 2230a_100000753921_100011218213 [0,0,0,0,0,0|4,0,0]=4 88 B9R0.34 CCC(C)CN(C)CSC 269982a_100000753921_100011218213 [0,0,0,0,0,0|4,0,0]=4 89 B9R0.34 CCC(C)NC(=O)C=CBr 1626a_100000209981_100016273825 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.34 CCC(C)NC(=O)C=CBr 240690a_100000209981_100016273825 [0,0,0,0,0,0|3,0,1]=4 91 B9R0.34 CCC(C)NC(=O)C=CCl 11a_100000209981_200016279998 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.34 CCC(C)NC(=O)C=CCl 1626a_100000209981_200016279998 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.34 CCC(C)NC(=O)C=CCl 240690a_100000209981_200016279998 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.34 CCC(C)NC(=O)C=CI 1626a_100000209981_100016256311 [0,0,0,0,0,0|3,0,1]=4 95 B9R0.34 CCC(C)NC(=O)CC#N 1626a_100000209981_100051588842 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.34 CCC(C)NC(=O)CC#N 240690a_100000209981_100051588842 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [0,0,0,0,0,0|3,0,0]=3 98 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,0,0,0,0,0|3,0,0]=3 99 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,0,0,0,0,0|3,0,0]=3 100 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,0,0,0,0,0|3,0,0]=3 101 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,0,0,0,0,0|3,0,0]=3 103 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,0,0,0,0,0|3,0,0]=3 104 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,0,0,0,0,0|3,0,0]=3 105 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,0,0,0,0,0|3,0,0]=3 106 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [0,0,0,0,0,0|3,0,0]=3 107 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [0,0,0,0,0,0|3,0,0]=3 108 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [0,0,0,0,0,0|3,0,0]=3 109 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [0,0,0,0,0,0|3,0,0]=3 110 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [0,0,0,0,0,0|3,0,0]=3 111 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [0,0,0,0,0,0|3,0,0]=3 114 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [0,0,0,0,0,0|3,0,0]=3 115 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [0,0,0,0,0,0|3,0,0]=3 116 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [0,0,0,0,0,0|3,0,0]=3 117 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100011667805_100011214920 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100051588842_100011218378 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,0,0,0,0,0|3,0,0]=3 123 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,0,0,0,0,0|3,0,0]=3 124 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,0,0,0,0,0|3,0,0]=3 125 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,0,0,0,0,0|3,0,0]=3 126 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,0,0,0,0,0|3,0,0]=3 127 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,0,0,0,0,0|3,0,0]=3 128 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,0,0,0,0,0|1,0,2]=3 129 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,0,0,0,0,0|2,0,1]=3 130 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,0,0,0,0,0|2,0,1]=3 131 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,0,0,0,0,0|1,0,0]=1 136 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,0,0,0,0,0|1,0,0]=1 137 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,0,0,0,0,0|2,0,0]=2 138 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,0,0,0,0,0|2,0,0]=2 139 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,0,0,0,0,0|2,0,0]=2 140 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,0,0,0,0,0|2,0,0]=2 141 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,0,0,0,0,0|2,0,0]=2 142 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,0,0,0,0,0|1,0,0]=1 143 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,0,0,0,0,0|2,0,0]=2 144 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [0,0,0,0,0,0|3,0,1]=4 145 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [0,0,0,0,0,0|3,0,1]=4 146 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [0,0,0,0,0,0|3,0,1]=4 147 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,0,0,0,0,0|2,0,0]=2 148 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,0,0,0,0,0|2,0,0]=2 149 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,0,0,0,0,0|2,0,0]=2 150 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,0,0,0,0,0|2,0,0]=2 151 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,0,0,0,0,0|3,0,0]=3 153 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,0,0,0,0,0|3,0,0]=3 154 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,0,0,0,0,0|3,0,0]=3 155 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,0,0,0,0,0|3,0,0]=3 156 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,0,0,0,0,0|3,0,0]=3 157 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [0,0,0,0,0,0|3,0,1]=4 158 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [0,0,0,0,0,0|3,0,1]=4 159 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,0,0,0,0,0|3,0,1]=4 160 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,0,0,0,0,0|3,0,1]=4 161 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,0,0,0,0,0|3,0,1]=4 162 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,0,0,0,0,0|3,0,1]=4 163 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,0,0,0,0,0|3,0,1]=4 164 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,0,0,0,0,0|3,0,1]=4 165 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,0,0,0,0,0|3,0,1]=4 166 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,0,0,0,0,0|3,0,1]=4 167 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [0,0,0,0,0,0|3,0,0]=3 168 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [0,0,0,0,0,0|3,0,0]=3 169 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [0,0,0,0,0,0|3,0,0]=3 170 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [0,0,0,0,0,0|3,0,0]=3 171 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [0,0,0,0,0,0|3,0,0]=3 172 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,0,0,0,0,0|4,0,0]=4 173 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,0,0,0,0,0|4,0,0]=4 174 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [0,0,0,0,0,0|3,0,0]=3 175 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [0,0,0,0,0,0|3,0,0]=3 176 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [0,0,0,0,0,0|4,0,0]=4 177 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [0,0,0,0,0,0|4,0,0]=4 178 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,0,0,0,0,0|3,0,1]=4 179 B9R0.34 CCN(C)CC(=O)CC#N 1458a_100116209913_100011214920 [0,0,0,0,0,0|3,0,1]=4 180 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [0,0,0,0,0,0|3,0,0]=3 181 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [0,0,0,0,0,0|3,0,0]=3 182 B9R0.34 CCN(C)CC(=O)NCO 2230a_100000225621_100000185155 [0,0,0,0,0,0|3,0,0]=3 183 B9R0.34 CCN(C)CC(=O)NCO 269982a_100000225621_100000185155 [0,0,0,0,0,0|3,0,0]=3 184 B9R0.34 CCN(C)CC(=O)NNC 22a_100016993582_100116209913 [0,0,0,0,0,0|3,0,0]=3 185 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,0,0,0,0,0|1,0,2]=3 186 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,0,0,0,0,0|1,0,2]=3 187 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,0,0,0,0,0|2,0,1]=3 188 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,0,0,0,0,0|3,0,1]=4 189 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,0,0,0,0,0|3,0,1]=4 190 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,0,0,0,0,0|1,0,0]=1 191 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,0,0,0,0,0|1,0,0]=1 192 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,0,0,0,0,0|1,0,0]=1 193 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,0,0,0,0,0|2,0,0]=2 194 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,0,0,0,0,0|2,0,0]=2 195 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,0,0,0,0,0|2,0,0]=2 196 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,0,0,0,0,0|2,0,0]=2 197 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,0,0,0,0,0|2,0,0]=2 198 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,0,0,0,0,0|2,0,0]=2 199 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,0,0,0,0,0|2,0,0]=2 200 B9R0.34 CCNC(=O)CN(C)CF 269982a_100000741943_100015361967 [0,0,0,0,0,0|3,0,0]=3 201 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100000737613_100015525214 [0,0,0,0,0,0|3,0,1]=4 202 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100015525214_100000737613 [0,0,0,0,0,0|3,0,1]=4 203 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100000737613_100015525214 [0,0,0,0,0,0|3,0,1]=4 204 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100015525214_100000737613 [0,0,0,0,0,0|3,0,1]=4 205 B9R0.34 CCNC(=O)NC(C)C#N 512a_100000737613_100015525214 [0,0,0,0,0,0|3,0,1]=4 206 B9R0.34 CCNC(=O)NC(C)C#N 512a_100015525214_100000737613 [0,0,0,0,0,0|3,0,1]=4 207 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,0,0,0,0,0|2,0,0]=2 208 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,0,0,0,0,0|2,0,0]=2 209 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,0,0,0,0,0|2,0,0]=2 210 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,0,0,0,0,0|2,0,0]=2 211 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,0,0,0,0,0|2,0,0]=2 212 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,0,0,0,0,0|2,0,0]=2 213 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [0,0,0,0,0,0|3,0,0]=3 214 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [0,0,0,0,0,0|3,0,0]=3 215 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [0,0,0,0,0,0|3,0,0]=3 216 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [0,0,0,0,0,0|3,0,0]=3 217 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [0,0,0,0,0,0|3,0,0]=3 218 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,0,0,0,0,0|3,0,0]=3 219 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,0,0,0,0,0|3,0,0]=3 220 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,0,0,0,0,0|3,0,0]=3 221 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,0,0,0,0,0|3,0,0]=3 222 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,0,0,0,0,0|2,0,1]=3 223 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,0,0,0,0,0|2,0,1]=3 224 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,0,0,0,0,0|1,0,1]=2 225 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,0,0,0,0,0|1,0,1]=2 226 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,0,0,0,0,0|2,0,1]=3 227 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,0,0,0,0,0|2,0,1]=3 228 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,0,0,0,0,0|2,0,1]=3 229 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,0,0,0,0,0|1,0,0]=1 230 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,0,0,0,0,0|1,0,0]=1 231 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,0,0,0,0,0|1,0,0]=1 232 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,0,0,0,0,0|1,0,0]=1 233 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,0,0,0,0,0|1,0,0]=1 234 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,0,0,0,0,0|1,0,0]=1 235 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,0,0,0,0,0|1,0,0]=1 236 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,0,0,0,0,0|1,0,0]=1 237 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,0,0,0,0,0|1,0,0]=1 238 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,0,0,0,0,0|1,0,0]=1 239 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,0,0,0,0,0|1,0,0]=1 240 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,0,0,0,0,0|1,0,0]=1 241 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,0,0,0,0,0|1,0,0]=1 242 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,0,0,0,0,0|1,0,0]=1 243 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,0,0,0,0,0|1,0,0]=1 244 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,0,0,0,0,0|2,0,0]=2 245 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,0,0,0,0,0|2,0,0]=2 246 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,0,0,0,0,0|2,0,0]=2 247 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,0,0,0,0,0|2,0,0]=2 248 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,0,0,0,0,0|2,0,1]=3 249 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,0,0,0,0,0|2,0,1]=3 250 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,0,0,0,0,0|2,0,1]=3 251 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [0,0,0,0,0,0|2,0,1]=3 252 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,0,0,0,0,0|2,0,0]=2 253 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,0,0,0,0,0|2,0,0]=2 254 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,0,0,0,0,0|2,0,0]=2 255 B9R0.34 CC[C@H](C)CN(C)CCO 2230a_100000210263_100009816398 [0,0,0,0,0,0|4,0,0]=4 256 B9R0.34 CC[C@H](C)CN(C)CCO 269982a_100000210263_100009816398 [0,0,0,0,0,0|4,0,0]=4 257 B9R0.34 CNNC(=O)N[C@H](C)CF 273464a_100102880703_100016993582 [0,0,0,0,0,0|4,0,0]=4 258 B9R0.34 CNNC(=O)N[C@H](C)CF 512a_100016993582_100102880703 [0,0,0,0,0,0|4,0,0]=4 259 B9R0.34 CNNC(=O)N[C@H](C)CF 512a_100102880703_100016993582 [0,0,0,0,0,0|4,0,0]=4 260 B9R0.34 CNNC(=O)N[C@H](C)CO 273464a_100000737577_100016993582 [0,0,0,0,0,0|4,0,0]=4 261 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100000737577_100016993582 [0,0,0,0,0,0|4,0,0]=4 262 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100016993582_100000737577 [0,0,0,0,0,0|4,0,0]=4 263 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,0,0,0,0,0|3,0,0]=3 264 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [0,0,0,0,0,0|4,0,0]=4 265 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [0,0,0,0,0,0|4,0,0]=4 266 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [0,0,0,0,0,0|4,0,0]=4 267 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [0,0,0,0,0,0|4,0,0]=4 268 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,0,0,0,0,0|4,0,0]=4 269 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,0,0,0,0,0|4,0,0]=4 270 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,0,0,0,0,0|3,0,0]=3 271 B9R0.34 CSCC(=O)N[C@H](C)CF 11a_100102880703_100000184570 [0,0,0,0,0,0|4,0,0]=4 272 B9R0.34 CSCC(=O)N[C@H](C)CF 1626a_100102880703_100000184570 [0,0,0,0,0,0|4,0,0]=4 273 B9R0.34 CSCC(=O)N[C@H](C)CF 240690a_100102880703_100000184570 [0,0,0,0,0,0|4,0,0]=4 274 B9R0.34 CSCC(=O)N[C@H](C)CF 527a_100102880703_100000184570 [0,0,0,0,0,0|4,0,0]=4 275 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,0,0,0,0,0|4,0,0]=4 276 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,0,0,0,0,0|4,0,0]=4 277 B9R0.34 C[C@@H](CO)CC(=O)C=CBr 1458a_100016273825_100000059175 [0,0,0,0,0,0|3,0,1]=4 278 B9R0.34 C[C@@H](CO)CC(=O)C=CCl 1458a_200016279998_100000059175 [0,0,0,0,0,0|3,0,1]=4 279 B9R0.34 C[C@@H](CO)CC(=O)C=CI 1458a_100016256311_100000059175 [0,0,0,0,0,0|3,0,1]=4 280 B9R0.34 C[C@@H](CO)CC(=O)CC#N 1458a_100051588842_100000059175 [0,0,0,0,0,0|3,0,1]=4 281 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,0,0,0,0,0|3,0,0]=3 282 B9R0.34 C[C@H](CF)NC(=O)CCO 240690a_100102880703_100011216618 [0,0,0,0,0,0|4,0,0]=4 283 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,0,0,0,0,0|4,0,0]=4 284 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [1,0,0,0,0,0|1,0,2]=4 285 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [1,0,0,0,0,0|1,0,2]=4 286 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,0,0,0,0,0|1,0,2]=4 287 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,0,0,0,0,0|1,0,2]=4 288 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 289 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 290 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 291 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,0,0,0,0|1,0,2]=4 292 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,0,0,0,0,0|1,0,2]=4 293 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,0,0,0,0,0|1,0,2]=4 294 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,0,0,0,0,0|1,0,2]=4 295 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,0,0,0,0,0|1,0,2]=4 296 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 297 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 298 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 299 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [1,0,0,0,0,0|1,0,2]=4 300 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,0,0,0,0,0|1,0,2]=4 301 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [1,0,0,0,0,0|1,0,2]=4 302 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [1,0,0,0,0,0|1,0,2]=4 303 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,0,0,0,0,0|1,0,1]=3 304 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [1,0,0,0,0,0|2,0,1]=4 305 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [1,0,0,0,0,0|2,0,1]=4 307 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,0,0,0,0,0|2,0,1]=4 308 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,0,0,0,0,0|1,0,2]=4 309 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,0,0,0,0,0|1,0,1]=3 310 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,0,0,0,0,0|2,0,1]=4 314 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,0,0,0,0|1,0,2]=4 318 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,0,0,0,0|1,0,2]=4 319 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 320 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 321 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 322 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,0,0,0,0,0|1,0,2]=4 323 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,0,0,0,0,0|1,0,2]=4 324 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,0,0,0,0,0|1,0,2]=4 325 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,0,0,0,0,0|1,0,2]=4 326 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,0,0,0,0,0|2,0,0]=3 329 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,0,0,0,0,0|2,0,0]=3 330 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,0,0,0,0,0|2,0,0]=3 331 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,0,0,0,0,0|2,0,0]=3 332 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,0,0,0,0,0|2,0,0]=3 333 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,0,0,0,0,0|2,0,0]=3 334 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,0,0,0,0,0|2,0,0]=3 335 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,0,0,0,0,0|2,0,0]=3 336 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,0,0,0,0,0|2,0,0]=3 337 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,0,0,0,0,0|2,0,0]=3 338 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,0,0,0,0,0|2,0,0]=3 339 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,0,0,0,0,0|3,0,0]=4 340 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,0,0,0,0,0|3,0,0]=4 341 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 342 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 344 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 345 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,0,0,0,0,0|3,0,0]=4 346 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,0,0,0,0,0|3,0,0]=4 347 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,0,0,0,0,0|3,0,0]=4 348 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,0,0,0,0,0|3,0,0]=4 349 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,0,0,0,0,0|3,0,0]=4 350 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,0,0,0,0,0|3,0,0]=4 351 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,0,0,0,0,0|3,0,0]=4 352 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [1,0,0,0,0,0|2,0,1]=4 357 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [1,0,0,0,0,0|2,0,1]=4 358 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,0,0,0,0,0|1,0,0]=2 359 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,0,0,0,0,0|1,0,0]=2 360 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,0,0,0,0,0|2,0,0]=3 361 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,0,0,0,0,0|2,0,0]=3 362 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,0,0,0,0,0|2,0,0]=3 363 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,0,0,0,0,0|2,0,0]=3 364 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,0,0,0,0,0|2,0,0]=3 365 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 366 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 367 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 368 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,0,0,0,0,0|2,0,0]=3 369 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,0,0,0,0,0|2,0,1]=4 370 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,0,0,0,0,0|2,0,1]=4 371 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,0,0,0,0,0|2,0,1]=4 372 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,0,0,0,0,0|1,0,1]=3 373 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,0,0,0,0,0|1,0,1]=3 374 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,0,0,0,0,0|1,0,1]=3 375 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,0,0,0,0,0|2,0,1]=4 376 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,0,0,0,0,0|1,1,1]=4 378 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,0,0,0,0,0|1,1,1]=4 379 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,0,0,0,0,0|3,0,0]=4 380 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,0,0,0,0,0|3,0,0]=4 381 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,0,0,0,0,0|3,0,0]=4 382 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,0,0,0,0,0|3,0,0]=4 383 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,0,0,0,0,0|3,0,0]=4 384 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,0,0,0,0,0|3,0,0]=4 385 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,0,0,0,0,0|3,0,0]=4 386 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,0,0,0,0,0|3,0,0]=4 387 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 388 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 389 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 390 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 391 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,0,0,0,0,0|3,0,0]=4 392 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,0,0,0,0,0|3,0,0]=4 393 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,0,0,0,0,0|3,0,0]=4 394 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,0,0,0,0,0|3,0,0]=4 395 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,0,0,0,0,0|3,0,0]=4 396 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,0,0,0,0,0|3,0,0]=4 397 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 398 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 399 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 400 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,0,0,0,0,0|3,0,0]=4 401 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 402 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 403 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 404 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 405 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 406 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,0,0,0,0,0|3,0,0]=4 407 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,0,0,0,0,0|3,0,0]=4 410 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 411 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 412 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 413 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 414 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 415 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 416 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,0,0,0,0,0|3,0,0]=4 417 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,0,0,0,0,0|3,0,0]=4 418 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,0,0,0,0,0|3,0,0]=4 419 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,0,0,0,0,0|3,0,0]=4 420 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,0,0,0,0,0|3,0,0]=4 421 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,0,0,0,0,0|3,0,0]=4 422 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,0,0,0,0,0|3,0,0]=4 423 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,0,0,0,0,0|3,0,0]=4 424 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,0,0,0,0,0|3,0,0]=4 425 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,0,0,0,0,0|3,0,0]=4 426 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,0,0,0,0,0|3,0,0]=4 427 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 428 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 429 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 430 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,0,0,0,0,0|2,0,0]=3 431 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,0,0,0,0,0|2,0,0]=3 432 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,0,0,0,0,0|2,0,0]=3 433 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,0,0,0,0,0|2,0,0]=3 434 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 435 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 436 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 437 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 438 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 439 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 440 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,0,0,0,0,0|2,0,0]=3 441 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,0,0,0,0,0|2,0,0]=3 442 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,0,0,0,0,0|2,0,0]=3 443 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,0,0,0,0,0|2,0,0]=3 444 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 445 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 446 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,0,0,0,0,0|2,0,0]=3 447 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 448 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 449 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 450 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 451 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,0,0,0,0,0|2,0,0]=3 452 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,0,0,0,0,0|2,0,0]=3 453 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [1,0,0,0,0,0|3,0,0]=4 454 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [1,0,0,0,0,0|3,0,0]=4 455 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 456 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,0,0,0,0,0|3,0,0]=4 457 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 459 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 460 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,0,0,0,0,0|3,0,0]=4 461 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 462 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 463 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,0,0,0,0,0|2,0,0]=3 464 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,0,0,0,0,0|2,0,0]=3 465 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [1,0,0,0,0,0|3,0,0]=4 466 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,0,0,0,0,0|1,0,0]=2 467 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 468 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,0,0,0,0,0|3,0,0]=4 469 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 470 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,0,0,0,0,0|1,0,0]=2 471 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,0,0,0,0,0|1,0,0]=2 472 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,0,0,0,0,0|1,0,0]=2 473 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,0,0,0,0,0|1,0,0]=2 474 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,0,0,0,0,0|1,0,0]=2 475 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,0,0,0,0,0|1,0,0]=2 476 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,0,0,0,0,0|1,0,0]=2 477 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,0,0,0,0,0|1,0,0]=2 478 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,0,0,0,0,0|1,0,0]=2 479 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,0,0,0,0,0|1,0,0]=2 480 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,0,0,0,0,0|2,0,0]=3 481 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,0,0,0,0,0|2,0,0]=3 482 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,0,0,0,0,0|2,0,0]=3 483 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,0,0,0,0,0|2,0,0]=3 484 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 485 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 486 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,0,0,0,0,0|3,0,0]=4 487 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,0,0,0,0,0|3,0,0]=4 488 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [1,0,0,0,0,0|3,0,0]=4 489 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [1,0,0,0,0,0|3,0,0]=4 490 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,0,0,0,0,0|1,0,0]=2 491 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,0,0,0,0,0|2,0,1]=4 492 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,0,0,0,0,0|2,0,1]=4 493 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,0,0,0,0,0|3,0,0]=4 494 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,0,0,0,0,0|3,0,0]=4 495 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [1,0,0,0,0,0|3,0,0]=4 496 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [1,0,0,0,0,0|3,0,0]=4 497 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [1,0,0,0,0,0|3,0,0]=4 498 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [1,0,0,0,0,0|3,0,0]=4 499 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,0,0,0,0,0|3,0,0]=4 500 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,0,0,0,0,0|3,0,0]=4 501 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,0,0,0,0,0|3,0,0]=4 502 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,0,0,0,0,0|3,0,0]=4 503 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,0,0,0,0,0|3,0,0]=4 504 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,0,0,0,0,0|3,0,0]=4 505 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,0,0,0,0,0|3,0,0]=4 506 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,0,0,0,0,0|3,0,0]=4 507 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,0,0,0,0,0|3,0,0]=4 508 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,0,0,0,0,0|3,0,0]=4 509 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,0,0,0,0,0|3,0,0]=4 510 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,0,0,0,0,0|3,0,0]=4 511 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,0,0,0,0,0|3,0,0]=4 512 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,0,0,0,0,0|3,0,0]=4 513 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,0,0,0,0,0|3,0,0]=4 514 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,0,0,0,0,0|3,0,0]=4 515 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,0,0,0,0,0|3,0,0]=4 516 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [1,0,0,0,0,0|1,0,2]=4 517 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [1,0,0,0,0,0|1,0,2]=4 518 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,0,0,0,0,0|1,0,2]=4 519 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [1,0,0,0,0,0|1,0,2]=4 520 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [1,0,0,0,0,0|1,0,2]=4 521 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [1,0,0,0,0,0|1,0,2]=4 522 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [1,0,0,0,0,0|1,0,2]=4 523 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [1,0,0,0,0,0|1,0,1]=3 524 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [1,0,0,0,0,0|2,0,1]=4 525 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [1,0,0,0,0,0|2,0,1]=4 526 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [1,0,0,0,0,0|2,0,1]=4 527 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [1,0,0,0,0,0|2,0,1]=4 528 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [1,0,0,0,0,0|2,0,1]=4 529 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [1,0,0,0,0,0|2,0,1]=4 530 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [1,0,0,0,0,0|2,0,0]=3 531 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [1,0,0,0,0,0|2,0,0]=3 532 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [1,0,0,0,0,0|2,0,0]=3 533 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [1,0,0,0,0,0|2,0,1]=4 534 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [1,0,0,0,0,0|2,0,1]=4 535 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [1,0,0,0,0,0|3,0,0]=4 536 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [1,0,0,0,0,0|3,0,0]=4 537 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [1,0,0,0,0,0|3,0,0]=4 538 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [1,0,0,0,0,0|3,0,0]=4 539 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [1,0,0,0,0,0|3,0,0]=4 540 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [1,0,0,0,0,0|3,0,0]=4 541 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,0,0,0,0,0|3,0,0]=4 542 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,0,0,0,0,0|1,0,1]=3 543 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [1,0,0,0,0,0|2,0,1]=4 544 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [1,0,0,0,0,0|2,0,1]=4 545 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [1,0,0,0,0,0|2,0,1]=4 546 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [1,0,0,0,0,0|2,0,1]=4 547 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,0,0,0,0,0|1,0,2]=4 548 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,0,0,0,0,0|2,0,1]=4 549 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,0,0,0,0,0|1,0,0]=2 550 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,0,0,0,0,0|1,0,0]=2 551 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,0,0,0,0,0|2,0,0]=3 552 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [1,0,0,0,0,0|3,0,0]=4 553 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [1,0,0,0,0,0|2,0,0]=3 554 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [1,0,0,0,0,0|2,0,0]=3 555 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [1,0,0,0,0,0|2,0,0]=3 556 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,0,0,0,0,0|2,0,0]=3 557 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [1,0,0,0,0,0|2,0,0]=3 558 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [1,0,0,0,0,0|2,0,0]=3 559 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [1,0,0,0,0,0|2,0,0]=3 560 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [1,0,0,0,0,0|2,0,0]=3 561 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [1,0,0,0,0,0|2,0,0]=3 562 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [1,0,0,0,0,0|3,0,0]=4 563 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [1,0,0,0,0,0|3,0,0]=4 564 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [1,0,0,0,0,0|3,0,0]=4 565 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [1,0,0,0,0,0|3,0,0]=4 566 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [1,0,0,0,0,0|3,0,0]=4 567 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [1,0,0,0,0,0|1,0,2]=4 568 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [1,0,0,0,0,0|1,0,2]=4 569 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,0,0,0,0,0|2,0,1]=4 570 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [1,0,0,0,0,0|1,0,0]=2 571 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [1,0,0,0,0,0|1,0,0]=2 572 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [1,0,0,0,0,0|1,0,0]=2 573 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [1,0,0,0,0,0|2,0,0]=3 574 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [1,0,0,0,0,0|2,0,0]=3 575 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [1,0,0,0,0,0|2,0,0]=3 576 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [1,0,0,0,0,0|2,0,0]=3 577 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [1,0,0,0,0,0|2,0,0]=3 578 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [1,0,0,0,0,0|2,0,0]=3 579 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [1,0,0,0,0,0|2,0,0]=3 580 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [1,0,0,0,0,0|2,0,0]=3 581 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [1,0,0,0,0,0|2,0,0]=3 582 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,0,0,0,0,0|2,0,0]=3 583 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [1,0,0,0,0,0|2,0,0]=3 584 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [1,0,0,0,0,0|2,0,0]=3 585 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [1,0,0,0,0,0|2,0,0]=3 586 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [1,0,0,0,0,0|2,0,0]=3 587 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [1,0,0,0,0,0|2,0,0]=3 588 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [1,0,0,0,0,0|2,0,0]=3 589 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [1,0,0,0,0,0|2,0,0]=3 590 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [1,0,0,0,0,0|2,0,0]=3 591 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [1,0,0,0,0,0|2,0,1]=4 592 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [1,0,0,0,0,0|2,0,1]=4 593 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,0,0,0,0,0|1,0,1]=3 594 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,0,0,0,0,0|1,0,1]=3 595 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,0,0,0,0,0|1,0,1]=3 596 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [1,0,0,0,0,0|1,0,0]=2 597 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [1,0,0,0,0,0|1,0,0]=2 598 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [1,0,0,0,0,0|1,0,0]=2 599 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [1,0,0,0,0,0|1,0,0]=2 600 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,0,0,0,0,0|1,0,1]=3 601 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,0,0,0,0,0|1,0,1]=3 602 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,0,0,0,0,0|1,0,1]=3 603 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [1,0,0,0,0,0|1,1,1]=4 604 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [1,0,0,0,0,0|1,1,1]=4 605 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [1,0,0,0,0,0|3,0,0]=4 606 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [1,0,0,0,0,0|3,0,0]=4 607 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [1,0,0,0,0,0|3,0,0]=4 608 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [1,0,0,0,0,0|3,0,0]=4 609 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [1,0,0,0,0,0|3,0,0]=4 610 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [1,0,0,0,0,0|3,0,0]=4 611 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [1,0,0,0,0,0|3,0,0]=4 612 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [1,0,0,0,0,0|3,0,0]=4 613 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [1,0,0,0,0,0|3,0,0]=4 614 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [1,0,0,0,0,0|3,0,0]=4 615 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [1,0,0,0,0,0|3,0,0]=4 616 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [1,0,0,0,0,0|2,0,0]=3 617 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [1,0,0,0,0,0|3,0,0]=4 618 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [1,0,0,0,0,0|3,0,0]=4 619 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [1,0,0,0,0,0|3,0,0]=4 620 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [1,0,0,0,0,0|3,0,0]=4 621 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [1,0,0,0,0,0|3,0,0]=4 622 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [1,0,0,0,0,0|3,0,0]=4 623 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [1,0,0,0,0,0|2,0,0]=3 624 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,0,0,0,0,0|3,0,0]=4 625 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [1,0,0,0,0,0|3,0,0]=4 626 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [1,0,0,0,0,0|3,0,0]=4 627 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [1,0,0,0,0,0|3,0,0]=4 628 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [1,0,0,0,0,0|3,0,0]=4 629 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [1,0,0,0,0,0|3,0,0]=4 630 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [1,0,0,0,0,0|3,0,0]=4 631 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [1,0,0,0,0,0|2,0,0]=3 632 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,0,0,0,0,0|3,0,0]=4 633 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [1,0,0,0,0,0|3,0,0]=4 634 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [1,0,0,0,0,0|3,0,0]=4 635 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [1,0,0,0,0,0|3,0,0]=4 636 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [1,0,0,0,0,0|3,0,0]=4 637 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [1,0,0,0,0,0|3,0,0]=4 638 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [1,0,0,0,0,0|3,0,0]=4 639 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [1,0,0,0,0,0|3,0,0]=4 640 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [1,0,0,0,0,0|3,0,0]=4 641 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [1,0,0,0,0,0|3,0,0]=4 642 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,0,0,0,0,0|3,0,0]=4 643 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [1,0,0,0,0,0|3,0,0]=4 644 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [1,0,0,0,0,0|3,0,0]=4 645 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,0,0,0,0,0|2,0,1]=4 646 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,0,0,0,0,0|2,0,1]=4 647 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [1,0,0,0,0,0|2,0,0]=3 648 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [1,0,0,0,0,0|2,0,0]=3 649 B8R0.6 CCC#CCC(C)OC 34a_200000035118_200000210301 [1,0,0,0,0,0|2,0,1]=4 650 B8R0.6 CCC#CCC(C)OC 7a_200000035118_200000210301 [1,0,0,0,0,0|2,0,1]=4 651 B8R0.6 CCC#CCC(C)O[13CH3] 34a_200000035118_200025704644 [1,0,0,0,0,0|2,0,1]=4 652 B8R0.6 CCC#CCC(C)O[13CH3] 7a_200000035118_200025704644 [1,0,0,0,0,0|2,0,1]=4 653 B8R0.6 CCC#CCN(C)CC 2230a_100000225621_100009813939 [1,0,0,0,0,0|2,0,1]=4 654 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,0,0,0,0,0|2,0,1]=4 655 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,0,0,0,0,0|2,0,1]=4 656 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [1,0,0,0,0,0|1,0,1]=3 657 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [1,0,0,0,0,0|3,0,0]=4 658 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [1,0,0,0,0,0|3,0,0]=4 659 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,0,0,0,0,0|3,0,0]=4 660 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,0,0,0,0,0|3,0,0]=4 661 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,0,0,0,0,0|3,0,0]=4 662 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,0,0,0,0,0|3,0,0]=4 663 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [1,0,0,0,0,0|3,0,0]=4 664 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [1,0,0,0,0,0|3,0,0]=4 665 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [1,0,0,0,0,0|3,0,0]=4 666 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [1,0,0,0,0,0|3,0,0]=4 667 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [1,0,0,0,0,0|3,0,0]=4 668 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [1,0,0,0,0,0|3,0,0]=4 669 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,0,0,0,0,0|3,0,0]=4 670 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,0,0,0,0,0|3,0,0]=4 671 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [1,0,0,0,0,0|3,0,0]=4 672 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [1,0,0,0,0,0|3,0,0]=4 673 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [1,0,0,0,0,0|3,0,0]=4 674 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [1,0,0,0,0,0|3,0,0]=4 675 B8R0.6 CCC=NNC(C)CC 4a_100000718999_100000210100 [1,0,0,0,0,0|3,0,0]=4 676 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,0,0,0,0,0|2,0,1]=4 677 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,0,0,0,0,0|2,0,1]=4 678 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,0,0,0,0,0|2,0,1]=4 679 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,0,0,0,0,0|2,0,1]=4 680 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,0,0,0,0,0|2,0,1]=4 681 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,0,0,0,0,0|2,0,1]=4 682 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,0,0,0,0,0|2,0,1]=4 683 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,0,0,0,0,0|2,0,1]=4 684 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,0,0,0,0,0|2,0,1]=4 685 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,0,0,0,0,0|2,0,1]=4 686 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,0,0,0,0,0|2,0,1]=4 687 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,0,0,0,0,0|2,0,1]=4 688 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,0,0,0,0,0|2,0,1]=4 689 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,0,0,0,0,0|2,0,1]=4 690 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,0,0,0,0,0|2,0,1]=4 691 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,0,0,0,0,0|2,0,1]=4 692 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,0,0,0,0,0|2,0,1]=4 693 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,0,0,0,0,0|2,0,1]=4 694 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,0,0,0,0,0|2,0,1]=4 695 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,0,0,0,0,0|2,0,1]=4 696 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,0,0,0,0,0|2,0,1]=4 697 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,0,0,0,0,0|2,0,1]=4 698 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,0,0,0,0,0|2,0,1]=4 699 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,0,0,0,0,0|2,0,1]=4 700 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,0,0,0,0,0|2,0,1]=4 701 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,0,0,0,0,0|2,0,1]=4 702 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,0,0,0,0,0|2,0,1]=4 703 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,0,0,0,0,0|2,0,0]=3 704 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,0,0,0,0,0|2,0,0]=3 705 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,0,0,0,0,0|3,0,0]=4 706 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,0,0,0,0,0|3,0,0]=4 707 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,0,0,0,0,0|3,0,0]=4 708 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,0,0,0,0,0|2,0,0]=3 709 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,0,0,0,0,0|3,0,0]=4 710 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,0,0,0,0,0|3,0,0]=4 711 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,0,0,0,0,0|3,0,0]=4 712 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,0,0,0,0,0|2,0,0]=3 713 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,0,0,0,0,0|2,0,0]=3 714 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,0,0,0,0,0|3,0,0]=4 715 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,0,0,0,0,0|2,0,0]=3 716 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,0,0,0,0,0|2,0,0]=3 717 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [1,0,0,0,0,0|3,0,0]=4 718 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,0,0,0,0,0|3,0,0]=4 719 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,0,0,0,0,0|3,0,0]=4 720 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,0,0,0,0,0|2,0,0]=3 721 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,0,0,0,0,0|2,0,0]=3 722 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,0,0,0,0,0|3,0,0]=4 723 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,0,0,0,0,0|3,0,0]=4 724 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,0,0,0,0,0|1,0,1]=3 725 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,0,0,0,0,0|2,0,1]=4 726 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,0,0,0,0,0|2,0,1]=4 727 B8R0.6 CCNN=CC(C)CC 4a_100000756455_100000243153 [1,0,0,0,0,0|2,0,1]=4 728 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,0,0,0,0,0|1,0,2]=4 729 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,0,0,0,0,0|1,0,2]=4 730 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,0,0,0,0,0|1,0,2]=4 731 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,0,0,0,0,0|0,0,1]=2 732 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,0,0,0,0,0|1,0,1]=3 733 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,0,0,0,0,0|1,0,1]=3 734 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [1,0,0,0,0,0|1,0,1]=3 735 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [1,0,0,0,0,0|1,0,1]=3 736 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [1,0,0,0,0,0|1,0,1]=3 737 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [1,0,0,0,0,0|1,0,1]=3 738 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [1,0,0,0,0,0|2,0,1]=4 739 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [1,0,0,0,0,0|2,0,1]=4 740 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [1,0,0,0,0,0|2,0,1]=4 741 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [1,0,0,0,0,0|2,0,1]=4 742 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [1,0,0,0,0,0|2,0,1]=4 743 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [1,0,0,0,0,0|1,1,1]=4 744 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [1,0,0,0,0,0|1,1,1]=4 745 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [1,0,0,0,0,0|3,0,0]=4 746 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,0,0,0,0,0|3,0,0]=4 747 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,0,0,0,0,0|3,0,0]=4 748 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [1,0,0,0,0,0|3,0,0]=4 749 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [1,0,0,0,0,0|3,0,0]=4 750 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [1,0,0,0,0,0|3,0,0]=4 751 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,0,0,0,0,0|3,0,0]=4 752 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [1,0,0,0,0,0|3,0,0]=4 753 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [1,0,0,0,0,0|3,0,0]=4 754 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,0,0,0,0,0|3,0,0]=4 755 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,0,0,0,0,0|3,0,0]=4 756 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [1,0,0,0,0,0|3,0,0]=4 757 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [1,0,0,0,0,0|3,0,0]=4 758 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [1,0,0,0,0,0|3,0,0]=4 759 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [1,0,0,0,0,0|3,0,0]=4 760 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [1,0,0,0,0,0|2,0,1]=4 761 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,0,0,0,0,0|0,0,2]=3 762 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,0,0,0,0,0|1,0,2]=4 763 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,0,0,0,0,0|0,0,2]=3 764 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [1,0,0,0,0,0|1,0,2]=4 765 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [1,0,0,0,0,0|1,0,2]=4 766 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [1,0,0,0,0,0|1,0,2]=4 767 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [1,0,0,0,0,0|1,0,2]=4 768 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [1,0,0,0,0,0|1,0,2]=4 769 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,0,0,0,0,0|0,0,2]=3 770 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,0,0,0,0,0|1,0,2]=4 771 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,0,0,0,0,0|0,0,2]=3 772 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [1,0,0,0,0,0|1,0,2]=4 773 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [1,0,0,0,0,0|1,0,2]=4 774 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [1,0,0,0,0,0|1,0,2]=4 775 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,0,0,0,0,0|0,0,2]=3 776 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [1,0,0,0,0,0|1,0,2]=4 777 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [1,0,0,0,0,0|1,0,2]=4 778 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [1,0,0,0,0,0|1,0,2]=4 779 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [1,0,0,0,0,0|1,0,2]=4 780 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [1,0,0,0,0,0|1,0,2]=4 781 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [1,0,0,0,0,0|1,0,2]=4 782 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [1,0,0,0,0,0|1,0,2]=4 783 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [1,0,0,0,0,0|1,0,2]=4 784 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [1,0,0,0,0,0|1,0,2]=4 785 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,0,0,0,0,0|0,0,2]=3 786 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,0,0,0,0,0|1,0,1]=3 787 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [1,0,0,0,0,0|2,0,1]=4 788 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,0,0,0,0,0|2,0,1]=4 789 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,0,0,0,0,0|1,0,1]=3 790 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,0,0,0,0,0|1,0,1]=3 791 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,0,0,0,0,0|0,0,0]=1 792 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,0,0,0,0,0|0,0,0]=1 793 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,0,0,0,0,0|1,0,0]=2 794 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,0,0,0,0,0|1,0,0]=2 795 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,0,0,0,0,0|1,0,0]=2 796 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,0,0,0,0,0|1,0,0]=2 797 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,0,0,0,0,0|0,0,0]=1 798 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,0,0,0,0,0|1,0,0]=2 799 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [1,0,0,0,0,0|2,0,1]=4 800 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [1,0,0,0,0,0|2,0,1]=4 801 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [1,0,0,0,0,0|2,0,1]=4 802 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,0,0,0,0,0|1,0,0]=2 803 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,0,0,0,0,0|1,0,0]=2 804 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,0,0,0,0,0|1,0,0]=2 805 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,0,0,0,0,0|1,0,0]=2 806 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [1,0,0,0,0,0|2,0,0]=3 807 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [1,0,0,0,0,0|2,0,0]=3 808 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [1,0,0,0,0,0|2,0,0]=3 809 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [1,0,0,0,0,0|2,0,0]=3 810 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [1,0,0,0,0,0|2,0,0]=3 811 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [1,0,0,0,0,0|2,0,0]=3 812 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,0,0,0,0,0|1,0,0]=2 813 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,0,0,0,0,0|1,0,0]=2 814 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,0,0,0,0,0|1,0,0]=2 815 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,0,0,0,0,0|1,0,0]=2 816 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,0,0,0,0,0|1,0,0]=2 817 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,0,0,0,0,0|1,0,0]=2 818 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [1,0,0,0,0,0|2,0,1]=4 819 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [1,0,0,0,0,0|2,0,1]=4 820 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [1,0,0,0,0,0|2,0,1]=4 821 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [1,0,0,0,0,0|2,0,0]=3 822 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [1,0,0,0,0,0|2,0,0]=3 823 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [1,0,0,0,0,0|2,0,0]=3 824 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [1,0,0,0,0,0|2,0,0]=3 825 B8R0.19 CCC(C)CN(C)CF 269982a_100000753921_100015361967 [1,0,0,0,0,0|3,0,0]=4 826 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,0,0,0,0,0|2,0,0]=3 827 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,0,0,0,0,0|2,0,0]=3 828 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,0,0,0,0,0|2,0,0]=3 829 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,0,0,0,0,0|2,0,0]=3 830 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,0,0,0,0,0|2,0,0]=3 831 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,0,0,0,0,0|2,0,0]=3 832 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,0,0,0,0,0|2,0,0]=3 833 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,0,0,0,0,0|2,0,0]=3 834 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [1,0,0,0,0,0|2,0,1]=4 835 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [1,0,0,0,0,0|2,0,1]=4 836 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [1,0,0,0,0,0|2,0,1]=4 837 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [1,0,0,0,0,0|2,0,1]=4 838 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [1,0,0,0,0,0|2,0,1]=4 839 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,0,0,0,0,0|2,0,0]=3 840 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,0,0,0,0,0|2,0,0]=3 841 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,0,0,0,0,0|2,0,0]=3 842 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,0,0,0,0,0|2,0,0]=3 843 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [1,0,0,0,0,0|1,0,2]=4 844 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [1,0,0,0,0,0|1,0,2]=4 845 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [1,0,0,0,0,0|1,0,2]=4 846 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [1,0,0,0,0,0|1,0,2]=4 847 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [1,0,0,0,0,0|1,0,2]=4 848 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [1,0,0,0,0,0|1,0,2]=4 849 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [1,0,0,0,0,0|2,0,0]=3 850 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,0,0,0,0,0|2,0,0]=3 851 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,0,0,0,0,0|2,0,0]=3 852 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,0,0,0,0,0|2,0,0]=3 853 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,0,0,0,0,0|2,0,0]=3 854 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,0,0,0,0,0|2,0,0]=3 855 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,0,0,0,0,0|1,0,0]=2 856 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,0,0,0,0,0|1,0,0]=2 857 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,0,0,0,0,0|1,0,0]=2 858 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [1,0,0,0,0,0|3,0,0]=4 859 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [1,0,0,0,0,0|3,0,0]=4 860 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,0,0,0,0,0|1,0,0]=2 861 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [1,0,0,0,0,0|2,0,0]=3 862 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [1,0,0,0,0,0|2,0,0]=3 863 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,0,0,0,0,0|2,0,1]=4 864 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [1,0,0,0,0,0|3,0,0]=4 865 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [1,0,0,0,0,0|3,0,0]=4 866 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [1,0,0,0,0,0|3,0,0]=4 867 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [1,0,0,0,0,0|3,0,0]=4 868 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [1,0,0,0,0,0|3,0,0]=4 869 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [1,0,0,0,0,0|3,0,0]=4 870 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [1,0,0,0,0,0|3,0,0]=4 871 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [1,0,0,0,0,0|3,0,0]=4 872 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [1,0,0,0,0,0|3,0,0]=4 873 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,0,0,0,0,0|1,0,0]=2 874 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,0,0,0,0,0|1,0,0]=2 875 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,0,0,0,0,0|1,0,0]=2 876 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [1,0,0,0,0,0|2,0,1]=4 877 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,0,0,0,0,0|2,0,1]=4 878 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,0,0,0,0,0|1,0,0]=2 879 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,0,0,0,0,0|1,0,0]=2 880 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,0,0,0,0,0|1,0,0]=2 881 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,0,0,0,0,0|1,0,0]=2 882 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,0,0,0,0,0|1,0,0]=2 883 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,0,0,0,0,0|2,0,0]=3 884 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [1,0,0,0,0,0|3,0,0]=4 885 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [1,0,0,0,0,0|3,0,0]=4 886 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [1,0,0,0,0,0|3,0,0]=4 887 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [1,0,0,0,0,0|3,0,0]=4 888 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,1,0,0,0,0|1,0,2]=4 889 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,1,0,0,0,0|1,0,2]=4 890 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [0,1,0,0,0,0|1,0,2]=4 891 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [0,1,0,0,0,0|1,0,2]=4 892 B10R0.2 C#CCC(=O)CC(C)SCC 1458a_200011311441_100000184674 [0,1,0,0,0,0|1,0,2]=4 893 B10R0.2 C#CCN(C)CC(=O)CCC 2230a_100000225692_100000747444 [0,1,0,0,0,0|2,0,1]=4 894 B10R0.2 C#CCN(C)CC(=O)NCC 2230a_100000225692_100000183381 [0,1,0,0,0,0|2,0,1]=4 895 B10R0.2 C#CCN(C)CC(=O)NCC 2230a_100000741943_100000038162 [0,1,0,0,0,0|2,0,1]=4 896 B10R0.2 C#CCN(C)CC(=O)NCC 34a_100000225692_100000183381 [0,1,0,0,0,0|2,0,1]=4 897 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,1,0,0,0,0|1,0,1]=3 898 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,1,0,0,0,0|1,0,1]=3 899 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,1,0,0,0,0|1,0,1]=3 900 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,1,0,0,0,0|1,0,2]=4 901 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,1,0,0,0,0|1,0,2]=4 902 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,1,0,0,0,0|1,0,2]=4 903 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,1,0,0,0,0|1,0,2]=4 904 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,1,0,0,0,0|1,0,2]=4 905 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,1,0,0,0,0|1,0,2]=4 906 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,1,0,0,0,0|1,0,2]=4 907 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,1,0,0,0,0|1,0,2]=4 908 B10R0.2 C=CCC(=O)CC(C)SCC 1458a_200011311441_100000210623 [0,1,0,0,0,0|1,0,2]=4 909 B10R0.2 C=CCN(C)CC(=O)CCC 2230a_100000225617_100000747444 [0,1,0,0,0,0|2,0,1]=4 910 B10R0.2 C=CCN(C)CC(=O)CCC 269982a_100000225617_100000747444 [0,1,0,0,0,0|2,0,1]=4 911 B10R0.2 C=CCN(C)CC(=O)NCC 2230a_100000225617_100000183381 [0,1,0,0,0,0|2,0,1]=4 912 B10R0.2 C=CCN(C)CC(=O)NCC 2230a_100000741943_100000210623 [0,1,0,0,0,0|2,0,1]=4 913 B10R0.2 C=CCN(C)CC(=O)NCC 269982a_100000225617_100000183381 [0,1,0,0,0,0|2,0,1]=4 914 B10R0.2 C=CCN(C)CC(=O)NCC 269982a_100000741943_100000210623 [0,1,0,0,0,0|2,0,1]=4 915 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,1,0,0,0,0|1,0,1]=3 916 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,1,0,0,0,0|1,0,1]=3 917 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,1,0,0,0,0|1,0,1]=3 918 B10R0.2 C=COC(=O)CN(C)CCC 2230a_100000747261_100000036128 [0,1,0,0,0,0|1,0,2]=4 919 B10R0.2 C=COC(=O)CN(C)CCC 269982a_100000747261_100000036128 [0,1,0,0,0,0|1,0,2]=4 920 B10R0.2 C=COC(=O)CN(C)CCO 2230a_100000210263_100000036128 [0,1,0,0,0,0|1,0,2]=4 921 B10R0.2 C=COC(=O)CN(C)CCO 269982a_100000210263_100000036128 [0,1,0,0,0,0|1,0,2]=4 922 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,1,0,0,0,0|1,0,2]=4 923 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,1,0,0,0,0|1,0,1]=3 924 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,1,0,0,0,0|1,0,2]=4 925 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,1,0,0,0,0|1,0,1]=3 926 B10R0.2 CC=CC(=O)NC(C)CCC 11a_100000741246_100000210699 [0,1,0,0,0,0|2,0,1]=4 927 B10R0.2 CC=CC(=O)NC(C)CCC 1626a_100000741246_100000210699 [0,1,0,0,0,0|2,0,1]=4 928 B10R0.2 CC=CC(=O)NC(C)CCC 240690a_100000741246_100000210699 [0,1,0,0,0,0|2,0,1]=4 929 B10R0.2 CC=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210699 [0,1,0,0,0,0|2,0,1]=4 930 B10R0.2 CC=CC(=O)N[C@H](C)COC 11a_100000764878_100000210699 [0,1,0,0,0,0|2,0,1]=4 931 B10R0.2 CC=CC(=O)N[C@H](C)COC 1626a_100000764878_100000210699 [0,1,0,0,0,0|2,0,1]=4 932 B10R0.2 CC=CC(=O)N[C@H](C)COC 240690a_100000764878_100000210699 [0,1,0,0,0,0|2,0,1]=4 933 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,1,0,0,0,0|1,0,2]=4 934 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,1,0,0,0,0|1,0,2]=4 935 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,1,0,0,0,0|1,0,2]=4 936 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,1,0,0,0,0|2,0,1]=4 937 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,1,0,0,0,0|2,0,1]=4 938 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,1,0,0,0,0|2,0,1]=4 939 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,1,0,0,0,0|2,0,1]=4 940 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,1,0,0,0,0|2,0,1]=4 941 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,1,0,0,0,0|1,0,1]=3 942 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,1,0,0,0,0|1,0,1]=3 943 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,1,0,0,0,0|1,0,0]=2 944 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,1,0,0,0,0|1,0,0]=2 945 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,1,0,0,0,0|1,0,0]=2 946 B10R0.2 CCCC(=O)CN(C)CC#N 2230a_100000748184_100000747444 [0,1,0,0,0,0|2,0,1]=4 947 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,1,0,0,0,0|2,0,0]=3 948 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,1,0,0,0,0|2,0,0]=3 949 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,1,0,0,0,0|2,0,0]=3 950 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,1,0,0,0,0|2,0,0]=3 951 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,1,0,0,0,0|3,0,0]=4 952 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,1,0,0,0,0|2,0,0]=3 953 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,1,0,0,0,0|2,0,0]=3 954 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,1,0,0,0,0|2,0,0]=3 955 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,1,0,0,0,0|2,0,0]=3 956 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000211992 [0,1,0,0,0,0|2,0,1]=4 957 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000211992 [0,1,0,0,0,0|2,0,1]=4 958 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000211992 [0,1,0,0,0,0|2,0,1]=4 959 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000211992 [0,1,0,0,0,0|2,0,1]=4 960 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,1,0,0,0,0|2,0,0]=3 961 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,1,0,0,0,0|2,0,0]=3 962 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,1,0,0,0,0|2,0,0]=3 963 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,1,0,0,0,0|2,0,0]=3 964 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,1,0,0,0,0|2,0,0]=3 965 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,1,0,0,0,0|2,0,0]=3 966 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,1,0,0,0,0|2,0,1]=4 967 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,1,0,0,0,0|2,0,1]=4 968 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,1,0,0,0,0|2,0,1]=4 969 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [0,1,0,0,0,0|2,0,1]=4 970 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [0,1,0,0,0,0|2,0,1]=4 971 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,1,0,0,0,0|2,0,0]=3 972 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,1,0,0,0,0|2,0,0]=3 973 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,1,0,0,0,0|2,0,0]=3 974 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,1,0,0,0,0|2,0,0]=3 975 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,1,0,0,0,0|2,0,0]=3 976 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,1,0,0,0,0|1,0,0]=2 977 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,1,0,0,0,0|1,0,0]=2 978 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,1,0,0,0,0|1,0,0]=2 979 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,1,0,0,0,0|2,0,0]=3 980 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [0,1,0,0,0,0|3,0,0]=4 981 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [0,1,0,0,0,0|3,0,0]=4 982 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [0,1,0,0,0,0|3,0,0]=4 983 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,1,0,0,0,0|3,0,0]=4 984 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,1,0,0,0,0|3,0,0]=4 985 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,1,0,0,0,0|3,0,0]=4 986 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,1,0,0,0,0|3,0,0]=4 987 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,1,0,0,0,0|3,0,0]=4 988 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,1,0,0,0,0|3,0,0]=4 989 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,1,0,0,0,0|3,0,0]=4 990 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,1,0,0,0,0|3,0,0]=4 991 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,1,0,0,0,0|3,0,0]=4 992 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,1,0,0,0,0|2,0,0]=3 993 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,1,0,0,0,0|2,0,0]=3 994 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,1,0,0,0,0|2,0,0]=3 995 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,1,0,0,0,0|2,0,0]=3 996 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,1,0,0,0,0|2,0,0]=3 997 B10R0.2 CCCC(C)NC(=O)NNC 273464a_100000741246_100016993582 [0,1,0,0,0,0|3,0,0]=4 998 B10R0.2 CCCC(C)NC(=O)NNC 512a_100000741246_100016993582 [0,1,0,0,0,0|3,0,0]=4 999 B10R0.2 CCCC(C)NC(=O)NNC 512a_100016993582_100000741246 [0,1,0,0,0,0|3,0,0]=4 1000 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,1,0,0,0,0|2,0,0]=3 1001 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,1,0,0,0,0|2,0,0]=3 1002 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,1,0,0,0,0|2,0,0]=3 1003 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,1,0,0,0,0|2,0,0]=3 1004 B10R0.2 CCCN(C)CC(=O)NCO 2230a_100000747261_100000185155 [0,1,0,0,0,0|3,0,0]=4 1005 B10R0.2 CCCN(C)CC(=O)NCO 269982a_100000747261_100000185155 [0,1,0,0,0,0|3,0,0]=4 1006 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,1,0,0,0,0|1,0,0]=2 1007 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,1,0,0,0,0|1,0,0]=2 1008 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,1,0,0,0,0|1,0,0]=2 1009 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,1,0,0,0,0|1,0,0]=2 1010 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,1,0,0,0,0|1,0,0]=2 1011 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,1,0,0,0,0|1,0,0]=2 1012 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,1,0,0,0,0|1,0,0]=2 1013 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,1,0,0,0,0|3,0,0]=4 1014 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,1,0,0,0,0|3,0,0]=4 1015 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,1,0,0,0,0|3,0,0]=4 1016 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [0,1,0,0,0,0|2,0,1]=4 1017 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,1,0,0,0,0|2,0,1]=4 1018 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,1,0,0,0,0|2,0,1]=4 1019 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,1,0,0,0,0|1,0,1]=3 1020 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,1,0,0,0,0|1,0,0]=2 1021 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,1,0,0,0,0|1,0,0]=2 1022 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,1,0,0,0,0|1,0,0]=2 1023 B10R0.2 CCNC(=O)CN(C)CC#N 2230a_100000741943_100011215382 [0,1,0,0,0,0|2,0,1]=4 1024 B10R0.2 CCNC(=O)CN(C)CC#N 2230a_100000748184_100000183381 [0,1,0,0,0,0|2,0,1]=4 1025 B10R0.2 CCNC(=O)CN(C)CC#N 269982a_100000741943_100011214920 [0,1,0,0,0,0|2,0,1]=4 1026 B10R0.2 CCNC(=O)CN(C)CC=O 2230a_100000741943_200015260668 [0,1,0,0,0,0|2,0,1]=4 1027 B10R0.2 CCNC(=O)CN(C)CC=O 269982a_100000741943_200015260668 [0,1,0,0,0,0|2,0,1]=4 1028 B10R0.2 CCNC(=O)CN(C)CCF 2230a_100000741943_100011217306 [0,1,0,0,0,0|2,0,0]=3 1029 B10R0.2 CCNC(=O)CN(C)CCF 269982a_100000741943_100011217306 [0,1,0,0,0,0|2,0,0]=3 1030 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000210263_100000183381 [0,1,0,0,0,0|2,0,0]=3 1031 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000741943_100000211926 [0,1,0,0,0,0|2,0,0]=3 1032 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000210263_100000183381 [0,1,0,0,0,0|2,0,0]=3 1033 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000741943_100000211926 [0,1,0,0,0,0|2,0,0]=3 1034 B10R0.2 CCNC(=O)CN(C)COC 2230a_100000741943_100000766300 [0,1,0,0,0,0|2,0,0]=3 1035 B10R0.2 CCNC(=O)CN(C)COC 269982a_100000741943_100000766300 [0,1,0,0,0,0|2,0,0]=3 1036 B10R0.2 CCNC(=O)CN(C)CSC 2230a_100000741943_100011218213 [0,1,0,0,0,0|2,0,0]=3 1037 B10R0.2 CCNC(=O)CN(C)CSC 269982a_100000741943_100011218213 [0,1,0,0,0,0|2,0,0]=3 1038 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 2708a_100015525214_100016994482 [0,1,0,0,0,0|2,0,1]=4 1039 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 2708a_100016994482_100015525214 [0,1,0,0,0,0|2,0,1]=4 1040 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 273464a_100015525214_100016994482 [0,1,0,0,0,0|2,0,1]=4 1041 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 273464a_100016994482_100015525214 [0,1,0,0,0,0|2,0,1]=4 1042 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 512a_100015525214_100016994482 [0,1,0,0,0,0|2,0,1]=4 1043 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 512a_100016994482_100015525214 [0,1,0,0,0,0|2,0,1]=4 1044 B10R0.2 CCNC(=O)N[C@H](C)CCO 2708a_100015525214_100000706166 [0,1,0,0,0,0|2,0,0]=3 1045 B10R0.2 CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100015525214 [0,1,0,0,0,0|2,0,0]=3 1046 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100000706166_100015525214 [0,1,0,0,0,0|2,0,0]=3 1047 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100015525214_100000706166 [0,1,0,0,0,0|2,0,0]=3 1048 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100000764878_100015525214 [0,1,0,0,0,0|2,0,0]=3 1049 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100015525214_100000764878 [0,1,0,0,0,0|2,0,0]=3 1050 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100000764878_100015525214 [0,1,0,0,0,0|2,0,0]=3 1051 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100015525214_100000764878 [0,1,0,0,0,0|2,0,0]=3 1052 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100000764878_100015525214 [0,1,0,0,0,0|2,0,0]=3 1053 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100015525214_100000764878 [0,1,0,0,0,0|2,0,0]=3 1054 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,1,0,0,0,0|0,0,0]=1 1055 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,1,0,0,0,0|0,0,2]=3 1056 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,1,0,0,0,0|0,0,2]=3 1057 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,1,0,0,0,0|0,0,2]=3 1058 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,1,0,0,0,0|0,0,2]=3 1059 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,1,0,0,0,0|0,0,2]=3 1060 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,1,0,0,0,0|0,0,2]=3 1061 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,1,0,0,0,0|0,0,2]=3 1062 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,1,0,0,0,0|0,0,2]=3 1063 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,1,0,0,0,0|1,0,2]=4 1064 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,1,0,0,0,0|1,0,2]=4 1065 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,1,0,0,0,0|1,0,1]=3 1066 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,1,0,0,0,0|1,0,1]=3 1067 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,1,0,0,0,0|1,0,1]=3 1068 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,1,0,0,0,0|1,0,1]=3 1069 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,1,0,0,0,0|1,0,1]=3 1070 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,1,0,0,0,0|1,0,1]=3 1071 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,1,0,0,0,0|1,0,1]=3 1072 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,1,0,0,0,0|1,0,1]=3 1073 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,1,0,0,0,0|1,0,1]=3 1074 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,1,0,0,0,0|2,0,1]=4 1075 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,1,0,0,0,0|0,0,0]=1 1076 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,1,0,0,0,0|0,0,0]=1 1077 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,1,0,0,0,0|1,0,0]=2 1078 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,1,0,0,0,0|1,0,0]=2 1079 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,1,0,0,0,0|1,0,1]=3 1080 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,1,0,0,0,0|1,0,1]=3 1081 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,1,0,0,0,0|1,0,1]=3 1082 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,1,0,0,0,0|1,0,0]=2 1083 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,1,0,0,0,0|1,0,0]=2 1084 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,1,0,0,0,0|1,0,0]=2 1085 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,1,0,0,0,0|1,0,0]=2 1086 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,1,0,0,0,0|1,0,0]=2 1087 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,1,0,0,0,0|1,0,0]=2 1088 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,1,0,0,0,0|0,0,0]=1 1089 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,1,0,0,0,0|1,0,0]=2 1090 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,1,0,0,0,0|1,0,0]=2 1091 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,1,0,0,0,0|1,0,0]=2 1092 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,1,0,0,0,0|1,0,0]=2 1093 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,1,0,0,0,0|1,0,0]=2 1094 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,1,0,0,0,0|1,0,0]=2 1095 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,1,0,0,0,0|1,0,0]=2 1096 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,1,0,0,0,0|1,0,0]=2 1097 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,1,0,0,0,0|2,0,1]=4 1098 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,1,0,0,0,0|2,0,1]=4 1099 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,1,0,0,0,0|2,0,1]=4 1100 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,1,0,0,0,0|1,0,0]=2 1101 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,1,0,0,0,0|1,0,0]=2 1102 B10R0.2 CCOC(=O)OC(C)SCF 62a_100000036008_100015361967 [0,1,0,0,0,0|2,0,0]=3 1103 B10R0.2 CCOC(=O)OC(C)SCF 62a_100015361967_100000036008 [0,1,0,0,0,0|2,0,0]=3 1104 B10R0.2 CCOC(C)O[C@H](C)COC 34a_200015424329_200000210301 [0,1,0,0,0,0|2,0,1]=4 1105 B10R0.2 CCOC(C)O[C@H](C)COC 7a_200015424329_200000210301 [0,1,0,0,0,0|2,0,1]=4 1106 B10R0.2 CCOC(C)O[C@H](C)CO[13CH3] 34a_200015424329_200025704644 [0,1,0,0,0,0|2,0,1]=4 1107 B10R0.2 CCOC(C)O[C@H](C)CO[13CH3] 7a_200015424329_200025704644 [0,1,0,0,0,0|2,0,1]=4 1108 B10R0.2 CCSC(C)CC(=O)CC#N 1458a_200011311441_100011214920 [0,1,0,0,0,0|2,0,1]=4 1109 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,1,0,0,0,0|2,0,0]=3 1110 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,1,0,0,0,0|2,0,0]=3 1111 B10R0.2 CCSC(C)CC(=O)NNC 22a_100016993582_200011311441 [0,1,0,0,0,0|2,0,0]=3 1112 B10R0.2 CN(CCO)CC(=O)NCO 2230a_100000210263_100000185155 [0,1,0,0,0,0|3,0,0]=4 1113 B10R0.2 CN(CCO)CC(=O)NCO 269982a_100000210263_100000185155 [0,1,0,0,0,0|3,0,0]=4 1114 B10R0.2 CNNC(=O)N[C@H](C)CCO 273464a_100000706166_100016993582 [0,1,0,0,0,0|3,0,0]=4 1115 B10R0.2 CNNC(=O)N[C@H](C)CCO 512a_100000706166_100016993582 [0,1,0,0,0,0|3,0,0]=4 1116 B10R0.2 CNNC(=O)N[C@H](C)CCO 512a_100016993582_100000706166 [0,1,0,0,0,0|3,0,0]=4 1117 B10R0.2 CNNC(=O)N[C@H](C)COC 273464a_100000764878_100016993582 [0,1,0,0,0,0|3,0,0]=4 1118 B10R0.2 CNNC(=O)N[C@H](C)COC 512a_100000764878_100016993582 [0,1,0,0,0,0|3,0,0]=4 1119 B10R0.2 CNNC(=O)N[C@H](C)COC 512a_100016993582_100000764878 [0,1,0,0,0,0|3,0,0]=4 1120 B10R0.2 COCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210968 [0,1,0,0,0,0|3,0,0]=4 1121 B10R0.2 COCC(=O)N[C@H](C)CCO 527a_100000706166_100000210968 [0,1,0,0,0,0|3,0,0]=4 1122 B10R0.2 COCC(=O)N[C@H](C)COC 11a_100000764878_100000210968 [0,1,0,0,0,0|3,0,0]=4 1123 B10R0.2 COCC(=O)N[C@H](C)COC 1626a_100000764878_100000210968 [0,1,0,0,0,0|3,0,0]=4 1124 B10R0.2 COCC(=O)N[C@H](C)COC 240690a_100000764878_100000210968 [0,1,0,0,0,0|3,0,0]=4 1125 B10R0.2 COCC(=O)N[C@H](C)COC 527a_100000764878_100000210968 [0,1,0,0,0,0|3,0,0]=4 1126 B10R0.2 COC[C@@H](C)NC(=O)CCO 240690a_100000764878_100011216618 [0,1,0,0,0,0|3,0,0]=4 1127 B10R0.2 COC[C@@H](C)NC(=O)CSC 11a_100000764878_100000184570 [0,1,0,0,0,0|3,0,0]=4 1128 B10R0.2 COC[C@@H](C)NC(=O)CSC 1626a_100000764878_100000184570 [0,1,0,0,0,0|3,0,0]=4 1129 B10R0.2 COC[C@@H](C)NC(=O)CSC 240690a_100000764878_100000184570 [0,1,0,0,0,0|3,0,0]=4 1130 B10R0.2 COC[C@@H](C)NC(=O)CSC 527a_100000764878_100000184570 [0,1,0,0,0,0|3,0,0]=4 1131 B10R0.2 CSCC(=O)N[C@H](C)CCO 240690a_100000706166_100000184570 [0,1,0,0,0,0|3,0,0]=4 1132 B10R0.2 CSCC(=O)N[C@H](C)CCO 527a_100000706166_100000184570 [0,1,0,0,0,0|3,0,0]=4 1133 B10R0.2 C[C@H](CCO)NC(=O)CCO 240690a_100000706166_100011216618 [0,1,0,0,0,0|3,0,0]=4 1134 B10R0.7 C#CCC(=O)CC(C)(C)CC 1458a_200000763500_100000184674 [0,1,0,0,0,0|1,0,2]=4 1135 B10R0.7 C#CCC(=O)CC(C)(O)CC 1458a_200011219800_100000184674 [0,1,0,0,0,0|1,0,2]=4 1136 B10R0.7 C=CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210623 [0,1,0,0,0,0|1,0,2]=4 1137 B10R0.7 C=CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210623 [0,1,0,0,0,0|1,0,2]=4 1138 B10R0.7 CC=CC(=O)NC(C)(C)CC 11a_100000211385_100000210699 [0,1,0,0,0,0|2,0,1]=4 1139 B10R0.7 CC=CC(=O)NC(C)(C)CC 1626a_100000211385_100000210699 [0,1,0,0,0,0|2,0,1]=4 1140 B10R0.7 CC=CC(=O)NC(C)(C)CC 240690a_100000211385_100000210699 [0,1,0,0,0,0|2,0,1]=4 1141 B10R0.7 CCC(C)(C)CC(=O)CC#N 1458a_200000763500_100011214920 [0,1,0,0,0,0|2,0,1]=4 1142 B10R0.7 CCC(C)(C)CC(=O)CCF 1458a_200000763500_100011217306 [0,1,0,0,0,0|2,0,0]=3 1143 B10R0.7 CCC(C)(C)CC(=O)CCO 1458a_200000763500_100000211926 [0,1,0,0,0,0|2,0,0]=3 1144 B10R0.7 CCC(C)(C)CC(=O)NNC 22a_100016993582_200000763500 [0,1,0,0,0,0|2,0,0]=3 1145 B10R0.7 CCC(C)(C)NC(=O)CCO 240690a_100000211385_100011216618 [0,1,0,0,0,0|3,0,0]=4 1146 B10R0.7 CCC(C)(C)NC(=O)CNC 2230a_106832991635_100000230344 [0,1,0,0,0,0|3,0,0]=4 1147 B10R0.7 CCC(C)(C)NC(=O)CNC 34a_100102657272_100000230344 [0,1,0,0,0,0|3,0,0]=4 1148 B10R0.7 CCC(C)(C)NC(=O)CNC 7a_106832991635_100000230344 [0,1,0,0,0,0|3,0,0]=4 1149 B10R0.7 CCC(C)(C)NC(=O)COC 11a_100000211385_100000210968 [0,1,0,0,0,0|3,0,0]=4 1150 B10R0.7 CCC(C)(C)NC(=O)COC 1626a_100000211385_100000210968 [0,1,0,0,0,0|3,0,0]=4 1151 B10R0.7 CCC(C)(C)NC(=O)COC 240690a_100000211385_100000210968 [0,1,0,0,0,0|3,0,0]=4 1152 B10R0.7 CCC(C)(C)NC(=O)COC 34a_100138415774_100000230344 [0,1,0,0,0,0|3,0,0]=4 1153 B10R0.7 CCC(C)(C)NC(=O)COC 527a_100000211385_100000210968 [0,1,0,0,0,0|3,0,0]=4 1154 B10R0.7 CCC(C)(C)NC(=O)CSC 11a_100000211385_100000184570 [0,1,0,0,0,0|3,0,0]=4 1155 B10R0.7 CCC(C)(C)NC(=O)CSC 1626a_100000211385_100000184570 [0,1,0,0,0,0|3,0,0]=4 1156 B10R0.7 CCC(C)(C)NC(=O)CSC 240690a_100000211385_100000184570 [0,1,0,0,0,0|3,0,0]=4 1157 B10R0.7 CCC(C)(C)NC(=O)CSC 527a_100000211385_100000184570 [0,1,0,0,0,0|3,0,0]=4 1158 B10R0.7 CCC(C)(C)NC(=O)CSC 62a_100000230344_200000210301 [0,1,0,0,0,0|3,0,0]=4 1159 B10R0.7 CCC(C)(C)NC(=O)CSC 62a_200000210301_100000230344 [0,1,0,0,0,0|3,0,0]=4 1160 B10R0.7 CCC(C)(C)NC(=O)CS[13CH3] 62a_100000230344_200025704644 [0,1,0,0,0,0|3,0,0]=4 1161 B10R0.7 CCC(C)(C)NC(=O)CS[13CH3] 62a_200025704644_100000230344 [0,1,0,0,0,0|3,0,0]=4 1162 B10R0.7 CCC(C)(C)NC(=O)NNC 273464a_100000211385_100016993582 [0,1,0,0,0,0|3,0,0]=4 1163 B10R0.7 CCC(C)(C)NC(=O)NNC 512a_100000211385_100016993582 [0,1,0,0,0,0|3,0,0]=4 1164 B10R0.7 CCC(C)(C)NC(=O)NNC 512a_100016993582_100000211385 [0,1,0,0,0,0|3,0,0]=4 1165 B10R0.7 CCC(C)(O)CC(=O)CC#N 1458a_200011219800_100011214920 [0,1,0,0,0,0|2,0,1]=4 1166 B10R0.7 CCC(C)(O)CC(=O)CCF 1458a_200011219800_100011217306 [0,1,0,0,0,0|2,0,0]=3 1167 B10R0.7 CCC(C)(O)CC(=O)CCO 1458a_200011219800_100000211926 [0,1,0,0,0,0|2,0,0]=3 1168 B10R0.7 CCC(C)(O)CC(=O)NNC 22a_100016993582_200011219800 [0,1,0,0,0,0|2,0,0]=3 1169 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [0,1,0,0,0,0|1,0,0]=2 1170 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [0,1,0,0,0,0|1,0,0]=2 1171 B10R0.7 CCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210303 [0,1,0,0,0,0|3,0,0]=4 1172 B10R0.7 CCCC(=O)NC(C)(C)CC 11a_100000211385_100000211992 [0,1,0,0,0,0|2,0,0]=3 1173 B10R0.7 CCCC(=O)NC(C)(C)CC 1626a_100000211385_100000211992 [0,1,0,0,0,0|2,0,0]=3 1174 B10R0.7 CCCC(=O)NC(C)(C)CC 240690a_100000211385_100000211992 [0,1,0,0,0,0|2,0,0]=3 1175 B10R0.7 CCCC(=O)NC(C)(C)CC 527a_100000211385_100000211992 [0,1,0,0,0,0|2,0,0]=3 1176 B10R0.7 CCCC(=O)NC(C)(C)CO 240690a_100000210608_100000211992 [0,1,0,0,0,0|3,0,0]=4 1177 B10R0.7 CCCC(=O)NC(C)(C)CO 527a_100020618417_100000211992 [0,1,0,0,0,0|3,0,0]=4 1178 B10R0.7 CCNC(=O)CC(C)(C)CC 11a_100015525214_200000763500 [0,1,0,0,0,0|1,0,0]=2 1179 B10R0.7 CCNC(=O)CC(C)(C)CC 240690a_100015525214_200000763500 [0,1,0,0,0,0|1,0,0]=2 1180 B10R0.7 CCNC(=O)CC(C)(C)CC 527a_100015525214_200000763500 [0,1,0,0,0,0|1,0,0]=2 1181 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [0,1,0,0,0,0|1,0,0]=2 1182 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [0,1,0,0,0,0|1,0,0]=2 1183 B10R0.7 CCNC(=O)CS(=O)(=O)CC 11a_100015525214_100000744335 [0,1,0,0,0,0|3,0,0]=4 1184 B10R0.7 CCNC(=O)CS(=O)(=O)CC 240690a_100015525214_100000744335 [0,1,0,0,0,0|3,0,0]=4 1185 B10R0.7 CCNC(=O)CS(=O)(=O)CC 527a_100015525214_100000744335 [0,1,0,0,0,0|3,0,0]=4 1186 B10R0.7 CCNC(=O)NC(C)(C)CC 2708a_100015525214_100000211385 [0,1,0,0,0,0|2,0,0]=3 1187 B10R0.7 CCNC(=O)NC(C)(C)CC 273464a_100000211385_100015525214 [0,1,0,0,0,0|2,0,0]=3 1188 B10R0.7 CCNC(=O)NC(C)(C)CC 273464a_100015525214_100000211385 [0,1,0,0,0,0|2,0,0]=3 1189 B10R0.7 CCNC(=O)NC(C)(C)CC 512a_100000211385_100015525214 [0,1,0,0,0,0|2,0,0]=3 1190 B10R0.7 CCNC(=O)NC(C)(C)CC 512a_100015525214_100000211385 [0,1,0,0,0,0|2,0,0]=3 1191 B10R0.7 CCNC(=O)NC(C)(C)CO 2708a_100015525214_100000210608 [0,1,0,0,0,0|3,0,0]=4 1192 B10R0.7 CCNC(=O)NC(C)(C)CO 273464a_100000210608_100015525214 [0,1,0,0,0,0|3,0,0]=4 1193 B10R0.7 CCNC(=O)NC(C)(C)CO 273464a_100015525214_100000210608 [0,1,0,0,0,0|3,0,0]=4 1194 B10R0.7 CCNC(=O)NC(C)(C)CO 512a_100000210608_100015525214 [0,1,0,0,0,0|3,0,0]=4 1195 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [0,1,0,0,0,0|1,0,0]=2 1196 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [0,1,0,0,0,0|1,0,0]=2 1197 B10R0.7 CCOC(=O)CS(=O)(=O)NC 270084a_100102657272_100000738689 [0,1,0,0,0,0|3,0,0]=4 1198 B10R0.7 CCOC(=O)CS(=O)(=O)NC 274078a_100102657272_100000738689 [0,1,0,0,0,0|3,0,0]=4 1199 B10R0.7 CCOC(C)CC(C)(C)OC 7a_200011252547_100000210202 [0,1,0,0,0,0|2,0,1]=4 1200 B10R0.18 C#CC(C)NC(=O)COCC 11a_100000707721_100000211967 [0,1,0,0,0,0|1,0,2]=4 1201 B10R0.18 C#CC(C)NC(=O)COCC 1626a_100000707721_100000211967 [0,1,0,0,0,0|1,0,2]=4 1202 B10R0.18 C#CC(C)NC(=O)COCC 240690a_100000707721_100000211967 [0,1,0,0,0,0|1,0,2]=4 1203 B10R0.18 C#CC(C)NC(=O)COCC 527a_100000707721_100000211967 [0,1,0,0,0,0|1,0,2]=4 1204 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000692101_100000748023 [0,1,0,0,0,0|1,0,1]=3 1205 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000708755_100000753159 [0,1,0,0,0,0|1,0,1]=3 1206 B10R0.18 C#CCCC(=O)CC(O)CC 1458a_100000692101_100011218378 [0,1,0,0,0,0|2,0,1]=4 1207 B10R0.18 C#CCCC(=O)CC(O)CC 1458a_100011667805_100000753159 [0,1,0,0,0,0|2,0,1]=4 1208 B10R0.18 C#CCCC(=O)CN(C)CC 1458a_100116209913_100000753159 [0,1,0,0,0,0|2,0,1]=4 1209 B10R0.18 C#CCCC(=O)C[C@@H](C)CC 1458a_100000692101_100009816398 [0,1,0,0,0,0|1,0,1]=3 1210 B10R0.18 C#CCCC(=O)C[C@@H](C)CO 1458a_100000692101_100000059175 [0,1,0,0,0,0|2,0,1]=4 1211 B10R0.18 C#CCCC(=O)NC(C)CC 11a_100000209981_100000692101 [0,1,0,0,0,0|2,0,1]=4 1212 B10R0.18 C#CCCC(=O)NC(C)CC 1626a_100000209981_100000692101 [0,1,0,0,0,0|2,0,1]=4 1213 B10R0.18 C#CCCC(=O)NC(C)CC 240690a_100000209981_100000692101 [0,1,0,0,0,0|2,0,1]=4 1214 B10R0.18 C#CCCC(=O)NC(C)CC 527a_100000209981_100000692101 [0,1,0,0,0,0|2,0,1]=4 1215 B10R0.18 C#CCNC(=O)CC(C)CC 11a_100000212058_100000708755 [0,1,0,0,0,0|1,0,1]=3 1216 B10R0.18 C#CCNC(=O)CC(C)CC 1626a_100000212058_100000708755 [0,1,0,0,0,0|1,0,1]=3 1217 B10R0.18 C#CCNC(=O)CC(C)CC 240690a_100000212058_100000708755 [0,1,0,0,0,0|1,0,1]=3 1218 B10R0.18 C#CCNC(=O)CC(C)CC 527a_100000212058_100000708755 [0,1,0,0,0,0|1,0,1]=3 1219 B10R0.18 C#CCNC(=O)CC(O)CC 1626a_100000212058_100011667805 [0,1,0,0,0,0|2,0,1]=4 1220 B10R0.18 C#CCNC(=O)CC(O)CC 240690a_100000212058_100011667805 [0,1,0,0,0,0|2,0,1]=4 1221 B10R0.18 C#CCNC(=O)CN(C)CC 240690a_100000212058_100116209913 [0,1,0,0,0,0|2,0,1]=4 1222 B10R0.18 C#CCNC(=O)CN(C)CC 527a_100000212058_100116209913 [0,1,0,0,0,0|2,0,1]=4 1223 B10R0.18 C#CCNC(=O)NC(C)CC 2708a_100000209981_100000212058 [0,1,0,0,0,0|2,0,1]=4 1224 B10R0.18 C#CCNC(=O)NC(C)CC 2708a_100000212058_100000209981 [0,1,0,0,0,0|2,0,1]=4 1225 B10R0.18 C#CCNC(=O)NC(C)CC 273464a_100000209981_100000212058 [0,1,0,0,0,0|2,0,1]=4 1226 B10R0.18 C#CCNC(=O)NC(C)CC 273464a_100000212058_100000209981 [0,1,0,0,0,0|2,0,1]=4 1227 B10R0.18 C#CCNC(=O)NC(C)CC 512a_100000209981_100000212058 [0,1,0,0,0,0|2,0,1]=4 1228 B10R0.18 C#CCNC(=O)NC(C)CC 512a_100000212058_100000209981 [0,1,0,0,0,0|2,0,1]=4 1229 B10R0.18 C/C=C/CC(=O)CC(C)CC 1458a_100000708755_100102629194 [0,1,0,0,0,0|1,0,1]=3 1230 B10R0.18 C/C=C/CC(=O)CC(O)CC 1458a_100011667805_100102629194 [0,1,0,0,0,0|2,0,1]=4 1231 B10R0.18 C/C=C/CC(=O)CN(C)CC 1458a_100116209913_100102629194 [0,1,0,0,0,0|2,0,1]=4 1232 B10R0.18 C=C(CC(=O)CC)OCOC 1458a_100000210414_100000042856 [0,1,0,0,0,0|2,0,1]=4 1233 B10R0.18 C=C(CN(C)CC)OCOC 269982a_100000225621_100000042856 [0,1,0,0,0,0|2,0,0]=3 1234 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,1,0,0,0,0|1,0,2]=4 1235 B10R0.18 C=CC(C)CC(=O)CCCF 1458a_100011934298_100011934791 [0,1,0,0,0,0|1,0,2]=4 1236 B10R0.18 C=CC(C)CC(=O)CCCO 1458a_100011934298_100011215043 [0,1,0,0,0,0|1,0,2]=4 1237 B10R0.18 C=CC(C)CC(=O)CCOC 1458a_100011934298_100000233755 [0,1,0,0,0,0|1,0,2]=4 1238 B10R0.18 C=CC(C)CC(=O)CCSC 1458a_100011934298_100000751147 [0,1,0,0,0,0|1,0,2]=4 1239 B10R0.18 C=CC(C)CC(=O)NCCC 11a_100020643023_100011934298 [0,1,0,0,0,0|1,0,2]=4 1240 B10R0.18 C=CC(C)CC(=O)NCCC 1626a_100020643023_100011934298 [0,1,0,0,0,0|1,0,2]=4 1241 B10R0.18 C=CC(C)CC(=O)NCCC 240690a_100020643023_100011934298 [0,1,0,0,0,0|1,0,2]=4 1242 B10R0.18 C=CC(C)CC(=O)NCCC 527a_100020643023_100011934298 [0,1,0,0,0,0|1,0,2]=4 1243 B10R0.18 C=CC(C)CC(=O)NCCF 11a_100000724931_100011934298 [0,1,0,0,0,0|1,0,2]=4 1244 B10R0.18 C=CC(C)CC(=O)NCCF 1626a_100000724931_100011934298 [0,1,0,0,0,0|1,0,2]=4 1245 B10R0.18 C=CC(C)CC(=O)NCCF 240690a_100000724931_100011934298 [0,1,0,0,0,0|1,0,2]=4 1246 B10R0.18 C=CC(C)CC(=O)NCCF 527a_100000724931_100011934298 [0,1,0,0,0,0|1,0,2]=4 1247 B10R0.18 C=CC(C)CC(=O)NCCO 240690a_100000210304_100011934298 [0,1,0,0,0,0|1,0,2]=4 1248 B10R0.18 C=CC(C)CC(=O)NCCO 527a_100000210304_100011934298 [0,1,0,0,0,0|1,0,2]=4 1249 B10R0.18 C=CC(C)CC(=O)NNCC 22a_100000756455_100011934298 [0,1,0,0,0,0|1,0,2]=4 1250 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [0,1,0,0,0,0|1,0,2]=4 1251 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [0,1,0,0,0,0|1,0,2]=4 1252 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000708755_100000754431 [0,1,0,0,0,0|1,0,1]=3 1253 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000749702_100000748023 [0,1,0,0,0,0|1,0,1]=3 1254 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100000749702_100011218378 [0,1,0,0,0,0|2,0,1]=4 1255 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100011667805_100000754431 [0,1,0,0,0,0|2,0,1]=4 1256 B10R0.18 C=CCCC(=O)CN(C)CC 1458a_100116209913_100000754431 [0,1,0,0,0,0|2,0,1]=4 1257 B10R0.18 C=CCCC(=O)C[C@@H](C)CC 1458a_100000749702_100009816398 [0,1,0,0,0,0|1,0,1]=3 1258 B10R0.18 C=CCCC(=O)C[C@@H](C)CO 1458a_100000749702_100000059175 [0,1,0,0,0,0|2,0,1]=4 1259 B10R0.18 C=CCCC(=O)NC(C)CC 11a_100000209981_100000749702 [0,1,0,0,0,0|2,0,1]=4 1260 B10R0.18 C=CCCC(=O)NC(C)CC 1626a_100000209981_100000749702 [0,1,0,0,0,0|2,0,1]=4 1261 B10R0.18 C=CCCC(=O)NC(C)CC 240690a_100000209981_100000749702 [0,1,0,0,0,0|2,0,1]=4 1262 B10R0.18 C=CCCC(=O)NC(C)CC 527a_100000209981_100000749702 [0,1,0,0,0,0|2,0,1]=4 1263 B10R0.18 C=CCNC(=O)CC(C)CC 1626a_100020586998_100000708755 [0,1,0,0,0,0|1,0,1]=3 1264 B10R0.18 C=CCNC(=O)CC(C)CC 240690a_100020586998_100000708755 [0,1,0,0,0,0|1,0,1]=3 1265 B10R0.18 C=CCNC(=O)CC(C)CC 527a_100020586998_100000708755 [0,1,0,0,0,0|1,0,1]=3 1266 B10R0.18 C=CCNC(=O)CC(O)CC 1626a_100020586998_100011667805 [0,1,0,0,0,0|2,0,1]=4 1267 B10R0.18 C=CCNC(=O)CC(O)CC 240690a_100020586998_100011667805 [0,1,0,0,0,0|2,0,1]=4 1268 B10R0.18 C=CCNC(=O)CN(C)CC 2230a_100000225621_100000183597 [0,1,0,0,0,0|2,0,1]=4 1269 B10R0.18 C=CCNC(=O)CN(C)CC 240690a_100020586998_100116209913 [0,1,0,0,0,0|2,0,1]=4 1270 B10R0.18 C=CCNC(=O)CN(C)CC 269982a_100000225621_100000183597 [0,1,0,0,0,0|2,0,1]=4 1271 B10R0.18 C=CCNC(=O)CN(C)CC 527a_100020586998_100116209913 [0,1,0,0,0,0|2,0,1]=4 1272 B10R0.18 C=CCNC(=O)NC(C)CC 2708a_100000209981_100020586998 [0,1,0,0,0,0|2,0,1]=4 1273 B10R0.18 C=CCNC(=O)NC(C)CC 273464a_100000209981_100020586998 [0,1,0,0,0,0|2,0,1]=4 1274 B10R0.18 C=CCNC(=O)NC(C)CC 273464a_100020586998_100000209981 [0,1,0,0,0,0|2,0,1]=4 1275 B10R0.18 C=CCNC(=O)NC(C)CC 512a_100000209981_100020586998 [0,1,0,0,0,0|2,0,1]=4 1276 B10R0.18 C=CCNC(=O)NC(C)CC 512a_100020586998_100000209981 [0,1,0,0,0,0|2,0,1]=4 1277 B10R0.18 C=CCOC(=O)CC(=O)CC 1458a_100000210414_100000033060 [0,1,0,0,0,0|1,0,2]=4 1278 B10R0.18 C=CCOC(=O)CN(C)CC 2230a_100000225621_100000033060 [0,1,0,0,0,0|1,0,1]=3 1279 B10R0.18 C=CCOC(=O)CN(C)CC 269982a_100000225621_100000033060 [0,1,0,0,0,0|1,0,1]=3 1280 B10R0.18 CC#CCC(=O)CC(C)CC 1458a_100000708755_100000748600 [0,1,0,0,0,0|1,0,1]=3 1281 B10R0.18 CC#CCC(=O)CC(O)CC 1458a_100011667805_100000748600 [0,1,0,0,0,0|2,0,1]=4 1282 B10R0.18 CC#CCC(=O)CN(C)CC 1458a_100116209913_100000748600 [0,1,0,0,0,0|2,0,1]=4 1283 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100000708755_100000070051 [0,1,0,0,0,0|1,0,1]=3 1284 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100121576822_100000748023 [0,1,0,0,0,0|1,0,1]=3 1285 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100011667805_100000070051 [0,1,0,0,0,0|2,0,1]=4 1286 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100121576822_100011218378 [0,1,0,0,0,0|2,0,1]=4 1287 B10R0.18 CC=CCC(=O)CN(C)CC 1458a_100116209913_100000070051 [0,1,0,0,0,0|2,0,1]=4 1288 B10R0.18 CC=CCC(=O)C[C@@H](C)CC 1458a_100121576822_100009816398 [0,1,0,0,0,0|1,0,1]=3 1289 B10R0.18 CC=CCC(=O)C[C@@H](C)CO 1458a_100121576822_100000059175 [0,1,0,0,0,0|2,0,1]=4 1290 B10R0.18 CC=CCC(=O)NC(C)CC 11a_100000209981_100121576822 [0,1,0,0,0,0|2,0,1]=4 1291 B10R0.18 CC=CCC(=O)NC(C)CC 1626a_100000209981_100121576822 [0,1,0,0,0,0|2,0,1]=4 1292 B10R0.18 CC=CCC(=O)NC(C)CC 240690a_100000209981_100121576822 [0,1,0,0,0,0|2,0,1]=4 1293 B10R0.18 CC=CCC(=O)NC(C)CC 527a_100000209981_100121576822 [0,1,0,0,0,0|2,0,1]=4 1294 B10R0.18 CC=NNC(=O)CN(C)CC 4a_100015186287_200000210099 [0,1,0,0,0,0|2,0,1]=4 1295 B10R0.18 CCC#CC(=O)CC(=O)CC 1458a_100011827653_100000747405 [0,1,0,0,0,0|2,0,1]=4 1296 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [0,1,0,0,0,0|1,0,0]=2 1297 B10R0.18 CCC#CC(=O)CC(O)CC 1458a_100011827653_100011218378 [0,1,0,0,0,0|2,0,0]=3 1298 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [0,1,0,0,0,0|1,0,0]=2 1299 B10R0.18 CCC#CC(=O)C[C@@H](C)CO 1458a_100011827653_100000059175 [0,1,0,0,0,0|2,0,0]=3 1300 B10R0.18 CCC(=CC(=O)CCCF)C 1458a_100020758463_100011934791 [0,1,0,0,0,0|1,0,2]=4 1301 B10R0.18 CCC(=CC(=O)CCCO)C 1458a_100020758463_100011215043 [0,1,0,0,0,0|1,0,2]=4 1302 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [0,1,0,0,0,0|1,0,2]=4 1303 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,1,0,0,0,0|1,0,2]=4 1304 B10R0.18 CCC(=CC(=O)NCCF)C 11a_100000724931_100020758463 [0,1,0,0,0,0|1,0,2]=4 1305 B10R0.18 CCC(=CC(=O)NCCF)C 1626a_100000724931_100020758463 [0,1,0,0,0,0|1,0,2]=4 1306 B10R0.18 CCC(=CC(=O)NCCF)C 240690a_100000724931_100020758463 [0,1,0,0,0,0|1,0,2]=4 1307 B10R0.18 CCC(=CC(=O)NCCO)C 240690a_100000210304_100020758463 [0,1,0,0,0,0|1,0,2]=4 1308 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,1,0,0,0,0|2,0,1]=4 1309 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,1,0,0,0,0|2,0,1]=4 1310 B10R0.18 CCC(C)CC(=O)C#CCO 1458a_100000049017_100000748023 [0,1,0,0,0,0|1,0,1]=3 1311 B10R0.18 CCC(C)CC(=O)C=COC 1458a_100016268678_100000748023 [0,1,0,0,0,0|1,0,1]=3 1312 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100000708755_100011215226 [0,1,0,0,0,0|1,0,1]=3 1313 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100011934036_100000748023 [0,1,0,0,0,0|1,0,1]=3 1314 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [0,1,0,0,0,0|1,0,0]=2 1315 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,1,0,0,0,0|1,0,0]=2 1316 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [0,1,0,0,0,0|1,0,0]=2 1317 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [0,1,0,0,0,0|1,0,0]=2 1318 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [0,1,0,0,0,0|1,0,0]=2 1319 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [0,1,0,0,0,0|1,0,0]=2 1320 B10R0.18 CCC(C)CC(=O)NCC#N 1626a_100000734998_100000708755 [0,1,0,0,0,0|1,0,1]=3 1321 B10R0.18 CCC(C)CC(=O)NCC#N 527a_100000734998_100000708755 [0,1,0,0,0,0|1,0,1]=3 1322 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [0,1,0,0,0,0|1,0,0]=2 1323 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [0,1,0,0,0,0|1,0,0]=2 1324 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [0,1,0,0,0,0|1,0,0]=2 1325 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [0,1,0,0,0,0|1,0,0]=2 1326 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [0,1,0,0,0,0|1,0,0]=2 1327 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [0,1,0,0,0,0|1,0,0]=2 1328 B10R0.18 CCC(C)CC(C)NCCF 2230a_100000763565_100011217306 [0,1,0,0,0,0|2,0,1]=4 1329 B10R0.18 CCC(C)CC(C)NCCO 2230a_100000763565_100000211926 [0,1,0,0,0,0|2,0,1]=4 1330 B10R0.18 CCC(C)CC(C)NCCO 270004a_100000210304_100011710205 [0,1,0,0,0,0|2,0,1]=4 1331 B10R0.18 CCC(C)CC(C)NCOC 2230a_100000763565_100000766300 [0,1,0,0,0,0|2,0,1]=4 1332 B10R0.18 CCC(C)CC(C)NCSC 2230a_100000763565_100011218213 [0,1,0,0,0,0|2,0,1]=4 1333 B10R0.18 CCC(C)CN(C)CCCF 2230a_100000753921_100011934791 [0,1,0,0,0,0|3,0,0]=4 1334 B10R0.18 CCC(C)CN(C)CCCF 269982a_100000753921_100011934791 [0,1,0,0,0,0|3,0,0]=4 1335 B10R0.18 CCC(C)CN(C)CCCO 2230a_100000213112_100000748023 [0,1,0,0,0,0|3,0,0]=4 1336 B10R0.18 CCC(C)CN(C)CCCO 2230a_100000753921_100000230001 [0,1,0,0,0,0|3,0,0]=4 1337 B10R0.18 CCC(C)CN(C)CCCO 269982a_100000213112_100000748023 [0,1,0,0,0,0|3,0,0]=4 1338 B10R0.18 CCC(C)CN(C)CCCO 269982a_100000753921_100011215043 [0,1,0,0,0,0|3,0,0]=4 1339 B10R0.18 CCC(C)CN(C)CCCO 270004a_100000213112_100000243153 [0,1,0,0,0,0|3,0,0]=4 1340 B10R0.18 CCC(C)CN(C)CCOC 2230a_100000743101_100000748023 [0,1,0,0,0,0|3,0,0]=4 1341 B10R0.18 CCC(C)CN(C)CCOC 2230a_100000753921_100011201679 [0,1,0,0,0,0|3,0,0]=4 1342 B10R0.18 CCC(C)CN(C)CCOC 269982a_100000743101_100000748023 [0,1,0,0,0,0|3,0,0]=4 1343 B10R0.18 CCC(C)CN(C)CCOC 269982a_100000753921_100000233755 [0,1,0,0,0,0|3,0,0]=4 1344 B10R0.18 CCC(C)CN(C)CCOC 270004a_100000743101_100000243153 [0,1,0,0,0,0|3,0,0]=4 1345 B10R0.18 CCC(C)CN(C)CCSC 2230a_100000686725_100000748023 [0,1,0,0,0,0|3,0,0]=4 1346 B10R0.18 CCC(C)CN(C)CCSC 2230a_100000753921_100000751147 [0,1,0,0,0,0|3,0,0]=4 1347 B10R0.18 CCC(C)CN(C)CCSC 269982a_100000686725_100000748023 [0,1,0,0,0,0|3,0,0]=4 1348 B10R0.18 CCC(C)CN(C)CCSC 269982a_100000753921_100000212216 [0,1,0,0,0,0|3,0,0]=4 1349 B10R0.18 CCC(C)CN(C)CCSC 270004a_100000686725_100000243153 [0,1,0,0,0,0|3,0,0]=4 1350 B10R0.18 CCC(C)NC(=O)C=COC 1626a_100000209981_100016268678 [0,1,0,0,0,0|2,0,1]=4 1351 B10R0.18 CCC(C)NC(=O)C=COC 240690a_100000209981_100016268678 [0,1,0,0,0,0|2,0,1]=4 1352 B10R0.18 CCC(C)NC(=O)CCC#N 11a_100000209981_100011934036 [0,1,0,0,0,0|2,0,1]=4 1353 B10R0.18 CCC(C)NC(=O)CCC#N 1626a_100000209981_100011934036 [0,1,0,0,0,0|2,0,1]=4 1354 B10R0.18 CCC(C)NC(=O)CCC#N 240690a_100000209981_100011934036 [0,1,0,0,0,0|2,0,1]=4 1355 B10R0.18 CCC(C)NC(=O)CCC#N 527a_100000209981_100011934036 [0,1,0,0,0,0|2,0,1]=4 1356 B10R0.18 CCC(C)NC(=O)CCOC 11a_100000209981_100000749529 [0,1,0,0,0,0|2,0,0]=3 1357 B10R0.18 CCC(C)NC(=O)CCOC 1626a_100000209981_100000749529 [0,1,0,0,0,0|2,0,0]=3 1358 B10R0.18 CCC(C)NC(=O)CCOC 240690a_100000209981_100000749529 [0,1,0,0,0,0|2,0,0]=3 1359 B10R0.18 CCC(C)NC(=O)CCOC 527a_100000209981_100000749529 [0,1,0,0,0,0|2,0,0]=3 1360 B10R0.18 CCC(C)NC(=O)CCSC 11a_100000209981_100000174002 [0,1,0,0,0,0|2,0,0]=3 1361 B10R0.18 CCC(C)NC(=O)CCSC 1626a_100000209981_100000174002 [0,1,0,0,0,0|2,0,0]=3 1362 B10R0.18 CCC(C)NC(=O)CCSC 240690a_100000209981_100000174002 [0,1,0,0,0,0|2,0,0]=3 1363 B10R0.18 CCC(C)NC(=O)CCSC 527a_100000209981_100000174002 [0,1,0,0,0,0|2,0,0]=3 1364 B10R0.18 CCC(C)NC(=O)CSCF 62a_100000182745_100015361967 [0,1,0,0,0,0|2,1,0]=4 1365 B10R0.18 CCC(C)NC(=O)CSCF 62a_100015361967_100000182745 [0,1,0,0,0,0|2,1,0]=4 1366 B10R0.18 CCC(C)NC(=O)NCC#N 2708a_100000734998_100000209981 [0,1,0,0,0,0|2,0,1]=4 1367 B10R0.18 CCC(C)NC(=O)NCC#N 273464a_100000209981_100000734998 [0,1,0,0,0,0|2,0,1]=4 1368 B10R0.18 CCC(C)NC(=O)NCC#N 273464a_100000734998_100000209981 [0,1,0,0,0,0|2,0,1]=4 1369 B10R0.18 CCC(C)NC(=O)NCC#N 512a_100000209981_100000734998 [0,1,0,0,0,0|2,0,1]=4 1370 B10R0.18 CCC(C)NC(=O)NCC#N 512a_100000734998_100000209981 [0,1,0,0,0,0|2,0,1]=4 1371 B10R0.18 CCC(C)NC(=O)NCCF 2708a_100000209981_100000724931 [0,1,0,0,0,0|2,0,0]=3 1372 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000209981_100000724931 [0,1,0,0,0,0|2,0,0]=3 1373 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000724931_100000209981 [0,1,0,0,0,0|2,0,0]=3 1374 B10R0.18 CCC(C)NC(=O)NCCF 512a_100000209981_100000724931 [0,1,0,0,0,0|2,0,0]=3 1375 B10R0.18 CCC(C)NC(=O)NCCO 2708a_100000209981_100000210304 [0,1,0,0,0,0|2,0,0]=3 1376 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000209981_100000210304 [0,1,0,0,0,0|2,0,0]=3 1377 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000210304_100000209981 [0,1,0,0,0,0|2,0,0]=3 1378 B10R0.18 CCC(C)NC(=O)NCCO 512a_100000209981_100000210304 [0,1,0,0,0,0|2,0,0]=3 1379 B10R0.18 CCC(O)CC(=O)C#CCO 1458a_100000049017_100011218378 [0,1,0,0,0,0|2,0,1]=4 1380 B10R0.18 CCC(O)CC(=O)C=COC 1458a_100016268678_100011218378 [0,1,0,0,0,0|2,0,1]=4 1381 B10R0.18 CCC(O)CC(=O)CCC#N 1458a_100011667805_100011215226 [0,1,0,0,0,0|2,0,1]=4 1382 B10R0.18 CCC(O)CC(=O)CCC#N 1458a_100011934036_100011218378 [0,1,0,0,0,0|2,0,1]=4 1383 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,1,0,0,0,0|2,0,0]=3 1384 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,1,0,0,0,0|2,0,0]=3 1385 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,1,0,0,0,0|2,0,0]=3 1386 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,1,0,0,0,0|2,0,0]=3 1387 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,1,0,0,0,0|2,0,0]=3 1388 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,1,0,0,0,0|2,0,0]=3 1389 B10R0.18 CCC(O)CC(=O)NCC#N 1626a_100000734998_100011667805 [0,1,0,0,0,0|2,0,1]=4 1390 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [0,1,0,0,0,0|2,0,0]=3 1391 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [0,1,0,0,0,0|2,0,0]=3 1392 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [0,1,0,0,0,0|2,0,0]=3 1393 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [0,1,0,0,0,0|2,0,1]=4 1394 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [0,1,0,0,0,0|1,0,0]=2 1395 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [0,1,0,0,0,0|2,0,0]=3 1396 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [0,1,0,0,0,0|1,0,0]=2 1397 B10R0.18 CCC=CC(=O)C[C@@H](C)CO 1458a_100000212282_100000059175 [0,1,0,0,0,0|2,0,0]=3 1398 B10R0.18 CCC=CC(=O)NC(C)CC 11a_100000209981_100000212282 [0,1,0,0,0,0|2,0,0]=3 1399 B10R0.18 CCC=CC(=O)NC(C)CC 1626a_100000209981_100000212282 [0,1,0,0,0,0|2,0,0]=3 1400 B10R0.18 CCC=CC(=O)NC(C)CC 240690a_100000209981_100000212282 [0,1,0,0,0,0|2,0,0]=3 1401 B10R0.18 CCC=CC(=O)N[C@H](C)CF 11a_100102880703_100000212282 [0,1,0,0,0,0|3,0,0]=4 1402 B10R0.18 CCC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000212282 [0,1,0,0,0,0|3,0,0]=4 1403 B10R0.18 CCC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000212282 [0,1,0,0,0,0|3,0,0]=4 1404 B10R0.18 CCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000212282 [0,1,0,0,0,0|3,0,0]=4 1405 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,1,0,0,0,0|1,0,2]=4 1406 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,1,0,0,0,0|2,0,1]=4 1407 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,1,0,0,0,0|1,0,0]=2 1408 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,1,0,0,0,0|1,0,0]=2 1409 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,1,0,0,0,0|2,0,0]=3 1410 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,1,0,0,0,0|2,0,0]=3 1411 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,1,0,0,0,0|2,0,0]=3 1412 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,1,0,0,0,0|1,0,0]=2 1413 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,1,0,0,0,0|2,0,0]=3 1414 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [0,1,0,0,0,0|2,0,0]=3 1415 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [0,1,0,0,0,0|2,0,0]=3 1416 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [0,1,0,0,0,0|2,0,0]=3 1417 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [0,1,0,0,0,0|2,0,0]=3 1418 B10R0.18 CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210183 [0,1,0,0,0,0|3,0,0]=4 1419 B10R0.18 CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210183 [0,1,0,0,0,0|3,0,0]=4 1420 B10R0.18 CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210183 [0,1,0,0,0,0|3,0,0]=4 1421 B10R0.18 CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210183 [0,1,0,0,0,0|3,0,0]=4 1422 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,1,0,0,0,0|3,0,0]=4 1423 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,1,0,0,0,0|3,0,0]=4 1424 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [0,1,0,0,0,0|3,0,0]=4 1425 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [0,1,0,0,0,0|3,0,0]=4 1426 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [0,1,0,0,0,0|3,0,0]=4 1427 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [0,1,0,0,0,0|3,0,0]=4 1428 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [0,1,0,0,0,0|3,0,0]=4 1429 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [0,1,0,0,0,0|3,0,0]=4 1430 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [0,1,0,0,0,0|3,0,0]=4 1431 B10R0.18 CCCNC(=O)C=C(C)CC 11a_100020643023_100020758463 [0,1,0,0,0,0|1,0,2]=4 1432 B10R0.18 CCCNC(=O)C=C(C)CC 1626a_100020643023_100020758463 [0,1,0,0,0,0|1,0,2]=4 1433 B10R0.18 CCCNC(=O)C=C(C)CC 240690a_100020643023_100020758463 [0,1,0,0,0,0|1,0,2]=4 1434 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,1,0,0,0,0|2,0,1]=4 1435 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [0,1,0,0,0,0|1,0,0]=2 1436 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [0,1,0,0,0,0|1,0,0]=2 1437 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [0,1,0,0,0,0|1,0,0]=2 1438 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [0,1,0,0,0,0|1,0,0]=2 1439 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,1,0,0,0,0|2,0,0]=3 1440 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,1,0,0,0,0|2,0,0]=3 1441 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000225621_100000183358 [0,1,0,0,0,0|2,0,0]=3 1442 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000684209_100000210202 [0,1,0,0,0,0|2,0,0]=3 1443 B10R0.18 CCCNC(=O)CN(C)CC 240690a_100020643023_100116209913 [0,1,0,0,0,0|2,0,0]=3 1444 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000225621_100000183358 [0,1,0,0,0,0|2,0,0]=3 1445 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000684209_100000204670 [0,1,0,0,0,0|2,0,0]=3 1446 B10R0.18 CCCNC(=O)CN(C)CC 527a_100020643023_100116209913 [0,1,0,0,0,0|2,0,0]=3 1447 B10R0.18 CCCNC(=O)CN(C)CF 269982a_100000684209_100015361967 [0,1,0,0,0,0|3,0,0]=4 1448 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100000209981_100020643023 [0,1,0,0,0,0|2,0,0]=3 1449 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100020643023_100000209981 [0,1,0,0,0,0|2,0,0]=3 1450 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100000209981_100020643023 [0,1,0,0,0,0|2,0,0]=3 1451 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100020643023_100000209981 [0,1,0,0,0,0|2,0,0]=3 1452 B10R0.18 CCCNC(=O)NC(C)CC 512a_100000209981_100020643023 [0,1,0,0,0,0|2,0,0]=3 1453 B10R0.18 CCCNC(=O)NC(C)CC 512a_100020643023_100000209981 [0,1,0,0,0,0|2,0,0]=3 1454 B10R0.18 CCCNC(=O)N[C@H](C)CF 2708a_100020643023_100102880703 [0,1,0,0,0,0|3,0,0]=4 1455 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100020643023_100102880703 [0,1,0,0,0,0|3,0,0]=4 1456 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100102880703_100020643023 [0,1,0,0,0,0|3,0,0]=4 1457 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100020643023_100102880703 [0,1,0,0,0,0|3,0,0]=4 1458 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100102880703_100020643023 [0,1,0,0,0,0|3,0,0]=4 1459 B10R0.18 CCCNC(=O)N[C@H](C)CO 2708a_100020643023_100000737577 [0,1,0,0,0,0|3,0,0]=4 1460 B10R0.18 CCCNC(=O)N[C@H](C)CO 273464a_100000737577_100020643023 [0,1,0,0,0,0|3,0,0]=4 1461 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100000737577_100020643023 [0,1,0,0,0,0|3,0,0]=4 1462 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100020643023_100000737577 [0,1,0,0,0,0|3,0,0]=4 1463 B10R0.18 CCCNC(C)CC(C)CC 2230a_100000763565_100000210303 [0,1,0,0,0,0|2,0,1]=4 1464 B10R0.18 CCCNC(C)CC(C)CC 270004a_100020643023_100011710205 [0,1,0,0,0,0|2,0,1]=4 1465 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,1,0,0,0,0|1,0,1]=3 1466 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,1,0,0,0,0|2,0,1]=4 1467 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [0,1,0,0,0,0|1,0,0]=2 1468 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [0,1,0,0,0,0|1,0,0]=2 1469 B10R0.18 CCN(C)CC(=O)CCC#N 1458a_100116209913_100011215226 [0,1,0,0,0,0|2,0,1]=4 1470 B10R0.18 CCN(C)CC(=O)CCCF 1458a_100116209913_100011934791 [0,1,0,0,0,0|2,0,0]=3 1471 B10R0.18 CCN(C)CC(=O)CCCO 1458a_100116209913_100011215043 [0,1,0,0,0,0|2,0,0]=3 1472 B10R0.18 CCN(C)CC(=O)CCOC 1458a_100116209913_100000233755 [0,1,0,0,0,0|2,0,0]=3 1473 B10R0.18 CCN(C)CC(=O)CCSC 1458a_100116209913_100000751147 [0,1,0,0,0,0|2,0,0]=3 1474 B10R0.18 CCN(C)CC(=O)NCC#N 2230a_100000225621_100000736037 [0,1,0,0,0,0|2,0,1]=4 1475 B10R0.18 CCN(C)CC(=O)NCC#N 269982a_100000225621_100000736037 [0,1,0,0,0,0|2,0,1]=4 1476 B10R0.18 CCN(C)CC(=O)NCC#N 527a_100000734998_100116209913 [0,1,0,0,0,0|2,0,1]=4 1477 B10R0.18 CCN(C)CC(=O)NCCF 240690a_100000724931_100116209913 [0,1,0,0,0,0|2,0,0]=3 1478 B10R0.18 CCN(C)CC(=O)NCCF 527a_100000724931_100116209913 [0,1,0,0,0,0|2,0,0]=3 1479 B10R0.18 CCN(C)CC(=O)NCCO 240690a_100000210304_100116209913 [0,1,0,0,0,0|2,0,0]=3 1480 B10R0.18 CCN(C)CC(=O)NCCO 527a_100000210304_100116209913 [0,1,0,0,0,0|2,0,0]=3 1481 B10R0.18 CCNCC(=O)NC(C)CC 2230a_100015525214_100000182745 [0,1,0,0,0,0|2,0,0]=3 1482 B10R0.18 CCNN=C(C)CC(C)CC 4a_100000756455_100011710205 [0,1,0,0,0,0|2,0,0]=3 1483 B10R0.18 CCNNC(=O)C=C(C)CC 22a_100000756455_100020758463 [0,1,0,0,0,0|1,0,2]=4 1484 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [0,1,0,0,0,0|1,0,0]=2 1485 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [0,1,0,0,0,0|2,0,0]=3 1486 B10R0.18 CCNNC(=O)CN(C)CC 22a_100000756455_100116209913 [0,1,0,0,0,0|2,0,0]=3 1487 B10R0.18 CCNNC(=O)NC(C)CC 273464a_100000209981_100000756455 [0,1,0,0,0,0|2,0,0]=3 1488 B10R0.18 CCNNC(=O)NC(C)CC 512a_100000209981_100000756455 [0,1,0,0,0,0|2,0,0]=3 1489 B10R0.18 CCNNC(=O)NC(C)CC 512a_100000756455_100000209981 [0,1,0,0,0,0|2,0,0]=3 1490 B10R0.18 CCNNC(=O)N[C@H](C)CF 273464a_100102880703_100000756455 [0,1,0,0,0,0|3,0,0]=4 1491 B10R0.18 CCNNC(=O)N[C@H](C)CF 512a_100000756455_100102880703 [0,1,0,0,0,0|3,0,0]=4 1492 B10R0.18 CCNNC(=O)N[C@H](C)CF 512a_100102880703_100000756455 [0,1,0,0,0,0|3,0,0]=4 1493 B10R0.18 CCNNC(=O)N[C@H](C)CO 273464a_100000737577_100000756455 [0,1,0,0,0,0|3,0,0]=4 1494 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000737577_100000756455 [0,1,0,0,0,0|3,0,0]=4 1495 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000756455_100000737577 [0,1,0,0,0,0|3,0,0]=4 1496 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,1,0,0,0,0|1,0,1]=3 1497 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,1,0,0,0,0|2,0,1]=4 1498 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,1,0,0,0,0|2,0,1]=4 1499 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,1,0,0,0,0|0,0,0]=1 1500 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,1,0,0,0,0|1,0,0]=2 1501 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,1,0,0,0,0|0,0,0]=1 1502 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,1,0,0,0,0|1,0,0]=2 1503 B10R0.18 CCOCC(=O)NC(C)C#N 11a_100000737613_100000211967 [0,1,0,0,0,0|2,0,1]=4 1504 B10R0.18 CCOCC(=O)NC(C)C#N 1626a_100000737613_100000211967 [0,1,0,0,0,0|2,0,1]=4 1505 B10R0.18 CCOCC(=O)NC(C)C#N 527a_100000737613_100000211967 [0,1,0,0,0,0|2,0,1]=4 1506 B10R0.18 CCOCC(=O)NC(C)CC 11a_100000209981_100000211967 [0,1,0,0,0,0|1,0,0]=2 1507 B10R0.18 CCOCC(=O)NC(C)CC 1626a_100000209981_100000211967 [0,1,0,0,0,0|1,0,0]=2 1508 B10R0.18 CCOCC(=O)NC(C)CC 240690a_100000209981_100000211967 [0,1,0,0,0,0|1,0,0]=2 1509 B10R0.18 CCOCC(=O)NC(C)CC 34a_100121572206_100000182745 [0,1,0,0,0,0|1,0,0]=2 1510 B10R0.18 CCOCC(=O)NC(C)CC 527a_100000209981_100000211967 [0,1,0,0,0,0|1,0,0]=2 1511 B10R0.18 CCOCC(=O)N[C@H](C)CF 11a_100102880703_100000211967 [0,1,0,0,0,0|2,0,0]=3 1512 B10R0.18 CCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000211967 [0,1,0,0,0,0|2,0,0]=3 1513 B10R0.18 CCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000211967 [0,1,0,0,0,0|2,0,0]=3 1514 B10R0.18 CCOCC(=O)N[C@H](C)CF 527a_100102880703_100000211967 [0,1,0,0,0,0|2,0,0]=3 1515 B10R0.18 CCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000211967 [0,1,0,0,0,0|2,0,0]=3 1516 B10R0.18 CCOCC(=O)N[C@H](C)CO 527a_100000737577_100000211967 [0,1,0,0,0,0|2,0,0]=3 1517 B10R0.18 CCOCC(C)OC(C)CC 34a_100000718985_100011215416 [0,1,0,0,0,0|2,0,1]=4 1518 B10R0.18 CCOCC(C)OC(C)CC 7a_100000718985_100000758301 [0,1,0,0,0,0|2,0,1]=4 1519 B10R0.18 CCOCN(C)CC(C)CC 269982a_100000753921_100000739092 [0,1,0,0,0,0|2,0,0]=3 1520 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,1,0,0,0,0|1,1,1]=4 1521 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [0,1,0,0,0,0|0,1,0]=2 1522 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,1,0,0,0,0|1,1,0]=3 1523 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [0,1,0,0,0,0|0,1,0]=2 1524 B10R0.18 CCSCC(=O)C[C@@H](C)CO 1458a_100000230394_100000059175 [0,1,0,0,0,0|1,1,0]=3 1525 B10R0.18 CCSCC(=O)NC(C)CC 11a_100000209981_100000230394 [0,1,0,0,0,0|1,1,0]=3 1526 B10R0.18 CCSCC(=O)NC(C)CC 1626a_100000209981_100000230394 [0,1,0,0,0,0|1,1,0]=3 1527 B10R0.18 CCSCC(=O)NC(C)CC 240690a_100000209981_100000230394 [0,1,0,0,0,0|1,1,0]=3 1528 B10R0.18 CCSCC(=O)NC(C)CC 527a_100000209981_100000230394 [0,1,0,0,0,0|1,1,0]=3 1529 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000182745_100000210202 [0,1,0,0,0,0|1,1,0]=3 1530 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000210202_100000182745 [0,1,0,0,0,0|1,1,0]=3 1531 B10R0.18 CCSCC(=O)N[C@H](C)CF 11a_100102880703_100000230394 [0,1,0,0,0,0|2,1,0]=4 1532 B10R0.18 CCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000230394 [0,1,0,0,0,0|2,1,0]=4 1533 B10R0.18 CCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000230394 [0,1,0,0,0,0|2,1,0]=4 1534 B10R0.18 CCSCC(=O)N[C@H](C)CF 527a_100102880703_100000230394 [0,1,0,0,0,0|2,1,0]=4 1535 B10R0.18 CCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000230394 [0,1,0,0,0,0|2,1,0]=4 1536 B10R0.18 CCSCC(=O)N[C@H](C)CO 527a_100000737577_100000230394 [0,1,0,0,0,0|2,1,0]=4 1537 B10R0.18 CC[C@H](C)CC(=O)C#CCO 1458a_100000049017_100009816398 [0,1,0,0,0,0|1,0,1]=3 1538 B10R0.18 CC[C@H](C)CC(=O)C=COC 1458a_100016268678_100009816398 [0,1,0,0,0,0|1,0,1]=3 1539 B10R0.18 CC[C@H](C)CC(=O)CCC#N 1458a_100011934036_100009816398 [0,1,0,0,0,0|1,0,1]=3 1540 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [0,1,0,0,0,0|1,0,0]=2 1541 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [0,1,0,0,0,0|1,0,0]=2 1542 B10R0.18 CC[C@H](C)CN(C)CCCO 2230a_100000213112_100009816398 [0,1,0,0,0,0|3,0,0]=4 1543 B10R0.18 CC[C@H](C)CN(C)CCCO 269982a_100000213112_100009816398 [0,1,0,0,0,0|3,0,0]=4 1544 B10R0.18 CC[C@H](C)CN(C)CCOC 2230a_100000743101_100009816398 [0,1,0,0,0,0|3,0,0]=4 1545 B10R0.18 CC[C@H](C)CN(C)CCOC 269982a_100000743101_100009816398 [0,1,0,0,0,0|3,0,0]=4 1546 B10R0.18 CC[C@H](C)CN(C)CCSC 2230a_100000686725_100009816398 [0,1,0,0,0,0|3,0,0]=4 1547 B10R0.18 CC[C@H](C)CN(C)CCSC 269982a_100000686725_100009816398 [0,1,0,0,0,0|3,0,0]=4 1548 B10R0.18 COC=CC(=O)C[C@@H](C)CO 1458a_100016268678_100000059175 [0,1,0,0,0,0|2,0,1]=4 1549 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [0,1,0,0,0,0|2,0,0]=3 1550 B10R0.18 COCCC(=O)N[C@H](C)CF 11a_100102880703_100000749529 [0,1,0,0,0,0|3,0,0]=4 1551 B10R0.18 COCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749529 [0,1,0,0,0,0|3,0,0]=4 1552 B10R0.18 COCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749529 [0,1,0,0,0,0|3,0,0]=4 1553 B10R0.18 COCCC(=O)N[C@H](C)CF 527a_100102880703_100000749529 [0,1,0,0,0,0|3,0,0]=4 1554 B10R0.18 COCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749529 [0,1,0,0,0,0|3,0,0]=4 1555 B10R0.18 COCCC(=O)N[C@H](C)CO 527a_100000737577_100000749529 [0,1,0,0,0,0|3,0,0]=4 1556 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,1,0,0,0,0|2,0,0]=3 1557 B10R0.18 CSCCC(=O)N[C@H](C)CF 11a_100102880703_100000174002 [0,1,0,0,0,0|3,0,0]=4 1558 B10R0.18 CSCCC(=O)N[C@H](C)CF 1626a_100102880703_100000174002 [0,1,0,0,0,0|3,0,0]=4 1559 B10R0.18 CSCCC(=O)N[C@H](C)CF 240690a_100102880703_100000174002 [0,1,0,0,0,0|3,0,0]=4 1560 B10R0.18 CSCCC(=O)N[C@H](C)CF 527a_100102880703_100000174002 [0,1,0,0,0,0|3,0,0]=4 1561 B10R0.18 CSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000174002 [0,1,0,0,0,0|3,0,0]=4 1562 B10R0.18 CSCCC(=O)N[C@H](C)CO 527a_100000737577_100000174002 [0,1,0,0,0,0|3,0,0]=4 1563 B10R0.18 C[C@@H](CO)CC(=O)C#CCO 1458a_100000049017_100000059175 [0,1,0,0,0,0|2,0,1]=4 1564 B10R0.18 C[C@@H](CO)CC(=O)CCC#N 1458a_100011934036_100000059175 [0,1,0,0,0,0|2,0,1]=4 1565 B10R0.18 C[C@H](CF)NC(=O)NCCF 273464a_100000724931_100102880703 [0,1,0,0,0,0|3,0,0]=4 1566 B10R0.18 C[C@H](CF)NC(=O)NCCF 273464a_100102880703_100000724931 [0,1,0,0,0,0|3,0,0]=4 1567 B10R0.18 C[C@H](CF)NC(=O)NCCF 512a_100102880703_100000724931 [0,1,0,0,0,0|3,0,0]=4 1568 B10R0.18 C[C@H](CF)NC(=O)NCCO 273464a_100000210304_100102880703 [0,1,0,0,0,0|3,0,0]=4 1569 B10R0.18 C[C@H](CF)NC(=O)NCCO 273464a_100102880703_100000210304 [0,1,0,0,0,0|3,0,0]=4 1570 B10R0.18 C[C@H](CF)NC(=O)NCCO 512a_100102880703_100000210304 [0,1,0,0,0,0|3,0,0]=4 1571 B10R0.18 C[C@H](CO)NC(=O)NCCF 273464a_100000737577_100000724931 [0,1,0,0,0,0|3,0,0]=4 1572 B10R0.18 C[C@H](CO)NC(=O)NCCF 512a_100000737577_100000724931 [0,1,0,0,0,0|3,0,0]=4 1573 B10R0.18 C[C@H](CO)NC(=O)NCCO 273464a_100000737577_100000210304 [0,1,0,0,0,0|3,0,0]=4 1574 B10R0.18 C[C@H](CO)NC(=O)NCCO 512a_100000737577_100000210304 [0,1,0,0,0,0|3,0,0]=4 1575 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,1,0,0,0,0|1,0,2]=4 1576 B10R0.26 C=COC(=O)CN(C)C(C)C 269982a_200000211004_100000036128 [0,1,0,0,0,0|1,0,2]=4 1577 B10R0.26 CC(C)C(C)NC(=O)CCO 240690a_100000211541_100011216618 [0,1,0,0,0,0|3,0,0]=4 1578 B10R0.26 CC(C)N(C)CC(=O)CCF 1458a_100000743827_100011217306 [0,1,0,0,0,0|3,0,0]=4 1579 B10R0.26 CC(C)N(C)CC(=O)CCO 1458a_100000743827_100000211926 [0,1,0,0,0,0|3,0,0]=4 1580 B10R0.26 CC(C)N(C)CC(=O)NCO 269982a_200000211004_100000185155 [0,1,0,0,0,0|3,0,0]=4 1581 B10R0.26 CC(CC(=O)CCF)N(C)C 1458a_100011311895_100011217306 [0,1,0,0,0,0|3,0,0]=4 1582 B10R0.26 CC(CC(=O)CCO)N(C)C 1458a_100011311895_100000211926 [0,1,0,0,0,0|3,0,0]=4 1583 B10R0.26 CC=CC(=O)NC(C)C(C)C 11a_100000211541_100000210699 [0,1,0,0,0,0|2,0,1]=4 1584 B10R0.26 CC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000210699 [0,1,0,0,0,0|2,0,1]=4 1585 B10R0.26 CC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000210699 [0,1,0,0,0,0|2,0,1]=4 1586 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,1,0,0,0,0|2,0,1]=4 1587 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,1,0,0,0,0|2,0,1]=4 1588 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,1,0,0,0,0|2,0,1]=4 1589 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,1,0,0,0,0|2,0,1]=4 1590 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,1,0,0,0,0|2,0,1]=4 1591 B10R0.26 CCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210303 [0,1,0,0,0,0|2,0,0]=3 1592 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,1,0,0,0,0|2,0,1]=4 1593 B10R0.26 CCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210303 [0,1,0,0,0,0|2,0,0]=3 1594 B10R0.26 CCCC(=O)CN(C)C(C)C 269982a_200000211004_100000747444 [0,1,0,0,0,0|2,0,0]=3 1595 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,1,0,0,0,0|2,0,1]=4 1596 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,1,0,0,0,0|2,0,1]=4 1597 B10R0.26 CCCC(=O)NC(C)C(C)C 11a_100000211541_100000211992 [0,1,0,0,0,0|2,0,0]=3 1598 B10R0.26 CCCC(=O)NC(C)C(C)C 1626a_100000211541_100000211992 [0,1,0,0,0,0|2,0,0]=3 1599 B10R0.26 CCCC(=O)NC(C)C(C)C 240690a_100000211541_100000211992 [0,1,0,0,0,0|2,0,0]=3 1600 B10R0.26 CCCC(=O)NC(C)C(C)C 527a_100000211541_100000211992 [0,1,0,0,0,0|2,0,0]=3 1601 B10R0.26 CCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183381 [0,1,0,0,0,0|2,0,1]=4 1602 B10R0.26 CCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183381 [0,1,0,0,0,0|2,0,1]=4 1603 B10R0.26 CCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183381 [0,1,0,0,0,0|2,0,1]=4 1604 B10R0.26 CCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183381 [0,1,0,0,0,0|2,0,1]=4 1605 B10R0.26 CCNC(=O)CC(C)N(C)C 240690a_100015525214_100011311895 [0,1,0,0,0,0|2,0,0]=3 1606 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100000741943_100015343762 [0,1,0,0,0,0|2,0,1]=4 1607 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100015525214_100000194957 [0,1,0,0,0,0|2,0,1]=4 1608 B10R0.26 CCNC(=O)CN(C)C(=O)C 1626a_100000741943_100015343762 [0,1,0,0,0,0|2,0,1]=4 1609 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100000741943_100015343762 [0,1,0,0,0,0|2,0,1]=4 1610 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100015525214_100000194957 [0,1,0,0,0,0|2,0,1]=4 1611 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100000741943_100103153847 [0,1,0,0,0,0|2,0,1]=4 1612 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100015525214_100000194957 [0,1,0,0,0,0|2,0,1]=4 1613 B10R0.26 CCNC(=O)CN(C)C(C)C 11a_100015525214_100000743827 [0,1,0,0,0,0|2,0,0]=3 1614 B10R0.26 CCNC(=O)CN(C)C(C)C 2230a_100000741943_100000210206 [0,1,0,0,0,0|2,0,0]=3 1615 B10R0.26 CCNC(=O)CN(C)C(C)C 240690a_100015525214_100000743827 [0,1,0,0,0,0|2,0,0]=3 1616 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_100000741943_100000210206 [0,1,0,0,0,0|2,0,0]=3 1617 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_200000211004_100000183381 [0,1,0,0,0,0|2,0,0]=3 1618 B10R0.26 CCNC(=O)CN(C)C(C)C 527a_100015525214_100000743827 [0,1,0,0,0,0|2,0,0]=3 1619 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100000211541_100015525214 [0,1,0,0,0,0|2,0,0]=3 1620 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100015525214_100000211541 [0,1,0,0,0,0|2,0,0]=3 1621 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100000211541_100015525214 [0,1,0,0,0,0|2,0,0]=3 1622 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100015525214_100000211541 [0,1,0,0,0,0|2,0,0]=3 1623 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100000211541_100015525214 [0,1,0,0,0,0|2,0,0]=3 1624 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100015525214_100000211541 [0,1,0,0,0,0|2,0,0]=3 1625 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,1,0,0,0,0|1,0,1]=3 1626 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,1,0,0,0,0|1,0,1]=3 1627 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,1,0,0,0,0|1,0,1]=3 1628 B10R0.26 CCOC(=O)CC(=O)C(O)O 1458a_100000233687_100000188475 [0,1,0,0,0,0|2,0,1]=4 1629 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [0,1,0,0,0,0|2,0,1]=4 1630 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,1,0,0,0,0|1,0,1]=3 1631 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,1,0,0,0,0|1,0,1]=3 1632 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,0,0|0,0,1]=2 1633 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,1,0,0,0,0|1,0,0]=2 1634 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,1,0,0,0,0|1,0,0]=2 1635 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,1,0,0,0,0|1,0,1]=3 1636 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,1,0,0,0,0|1,0,1]=3 1637 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,1,0,0,0,0|1,0,1]=3 1638 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,1,0,0,0,0|1,0,1]=3 1639 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [0,1,0,0,0,0|1,0,0]=2 1640 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [0,1,0,0,0,0|1,0,0]=2 1641 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [0,1,0,0,0,0|1,0,0]=2 1642 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [0,1,0,0,0,0|1,0,0]=2 1643 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [0,1,0,0,0,0|1,0,0]=2 1644 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [0,1,0,0,0,0|1,0,0]=2 1645 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,1,0,0,0,0|2,0,0]=3 1646 B10R0.26 CNNC(=O)CC(C)N(C)C 22a_100016993582_100011311895 [0,1,0,0,0,0|3,0,0]=4 1647 B10R0.26 CNNC(=O)CN(C)C(C)C 22a_100016993582_100000743827 [0,1,0,0,0,0|3,0,0]=4 1648 B10R0.26 CNNC(=O)NC(C)C(C)C 273464a_100000211541_100016993582 [0,1,0,0,0,0|3,0,0]=4 1649 B10R0.26 CNNC(=O)NC(C)C(C)C 512a_100000211541_100016993582 [0,1,0,0,0,0|3,0,0]=4 1650 B10R0.26 CNNC(=O)NC(C)C(C)C 512a_100016993582_100000211541 [0,1,0,0,0,0|3,0,0]=4 1651 B10R0.26 COCC(=O)NC(C)C(C)C 11a_100000211541_100000210968 [0,1,0,0,0,0|3,0,0]=4 1652 B10R0.26 COCC(=O)NC(C)C(C)C 1626a_100000211541_100000210968 [0,1,0,0,0,0|3,0,0]=4 1653 B10R0.26 COCC(=O)NC(C)C(C)C 240690a_100000211541_100000210968 [0,1,0,0,0,0|3,0,0]=4 1654 B10R0.26 COCC(=O)NC(C)C(C)C 527a_100000211541_100000210968 [0,1,0,0,0,0|3,0,0]=4 1655 B10R0.26 CSCC(=O)NC(C)C(C)C 11a_100000211541_100000184570 [0,1,0,0,0,0|3,0,0]=4 1656 B10R0.26 CSCC(=O)NC(C)C(C)C 1626a_100000211541_100000184570 [0,1,0,0,0,0|3,0,0]=4 1657 B10R0.26 CSCC(=O)NC(C)C(C)C 240690a_100000211541_100000184570 [0,1,0,0,0,0|3,0,0]=4 1658 B10R0.26 CSCC(=O)NC(C)C(C)C 527a_100000211541_100000184570 [0,1,0,0,0,0|3,0,0]=4 1659 B10R0.29 CCC(C)CC(CC)OCF 7a_200011216566_100015361967 [0,1,0,0,0,0|2,0,1]=4 1660 B10R0.29 CCCN(CC)CC(C)CC 2230a_100000226822_100000748023 [0,1,0,0,0,0|3,0,0]=4 1661 B10R0.29 CCCN(CC)CC(C)CC 269982a_100000226822_100000748023 [0,1,0,0,0,0|3,0,0]=4 1662 B10R0.29 CCCN(CC)CC(C)CC 270004a_100000226822_100000243153 [0,1,0,0,0,0|3,0,0]=4 1663 B10R0.29 CCCN(CC)C[C@@H](C)CC 2230a_100000226822_100009816398 [0,1,0,0,0,0|3,0,0]=4 1664 B10R0.29 CCCN(CC)C[C@@H](C)CC 269982a_100000226822_100009816398 [0,1,0,0,0,0|3,0,0]=4 1665 B10R0.29 CCNC(CC)CC(C)CC 270004a_100015525214_100000184709 [0,1,0,0,0,0|2,0,1]=4 1666 B10R0.29 CCOC(CC)CC(C)CC 7a_200011216566_100000210202 [0,1,0,0,0,0|1,0,1]=3 1667 B10R0.34 C#CCC(=O)CC(CC)CC 1458a_100011220946_100011215472 [0,1,0,0,0,0|1,0,2]=4 1668 B10R0.34 C=CCC(=O)CC(CC)CC 1458a_100000210193_100011215472 [0,1,0,0,0,0|1,0,2]=4 1669 B10R0.34 C=COC(=O)CN(CC)CC 2230a_100000724800_100000036128 [0,1,0,0,0,0|1,0,2]=4 1670 B10R0.34 C=COC(=O)CN(CC)CC 269956a_100000042499_100000036128 [0,1,0,0,0,0|1,0,2]=4 1671 B10R0.34 C=COC(=O)CN(CC)CC 269982a_100000724800_100000036128 [0,1,0,0,0,0|1,0,2]=4 1672 B10R0.34 CC#CC(=O)CC(CC)CC 1458a_100000763181_100011215472 [0,1,0,0,0,0|1,0,1]=3 1673 B10R0.34 CC#CC(=O)CC(OC)OC 1458a_100000763181_100000751394 [0,1,0,0,0,0|2,0,1]=4 1674 B10R0.34 CC=CC(=O)CC(CC)CC 1458a_100000210699_100011215472 [0,1,0,0,0,0|1,0,1]=3 1675 B10R0.34 CC=CC(=O)CC(OC)OC 1458a_100000210699_100000751394 [0,1,0,0,0,0|2,0,1]=4 1676 B10R0.34 CC=CC(=O)NC(CC)CC 11a_100000199018_100000210699 [0,1,0,0,0,0|2,0,1]=4 1677 B10R0.34 CC=CC(=O)NC(CC)CC 1626a_100000199018_100000210699 [0,1,0,0,0,0|2,0,1]=4 1678 B10R0.34 CC=CC(=O)NC(CC)CC 240690a_100000199018_100000210699 [0,1,0,0,0,0|2,0,1]=4 1679 B10R0.34 CC=CC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210699 [0,1,0,0,0,0|2,0,1]=4 1680 B10R0.34 CCC(CC)CC(=O)C=CBr 1458a_100016273825_100011215472 [0,1,0,0,0,0|2,0,1]=4 1681 B10R0.34 CCC(CC)CC(=O)C=CCl 1458a_200016279998_100011215472 [0,1,0,0,0,0|2,0,1]=4 1682 B10R0.34 CCC(CC)CC(=O)C=CI 1458a_100016256311_100011215472 [0,1,0,0,0,0|2,0,1]=4 1683 B10R0.34 CCC(CC)CC(=O)CC#N 1458a_100051588842_100011215472 [0,1,0,0,0,0|2,0,1]=4 1684 B10R0.34 CCC(CC)CC(=O)CCO 1458a_100011216618_100011215472 [0,1,0,0,0,0|2,0,0]=3 1685 B10R0.34 CCC(CC)CC(=O)COC 1458a_100000210968_100011215472 [0,1,0,0,0,0|2,0,0]=3 1686 B10R0.34 CCC(CC)CC(=O)CSC 1458a_100000184570_100011215472 [0,1,0,0,0,0|2,0,0]=3 1687 B10R0.34 CCC(CC)NC(=O)CCO 240690a_100000199018_100011216618 [0,1,0,0,0,0|3,0,0]=4 1688 B10R0.34 CCC(CC)NC(=O)COC 11a_100000199018_100000210968 [0,1,0,0,0,0|3,0,0]=4 1689 B10R0.34 CCC(CC)NC(=O)COC 1626a_100000199018_100000210968 [0,1,0,0,0,0|3,0,0]=4 1690 B10R0.34 CCC(CC)NC(=O)COC 240690a_100000199018_100000210968 [0,1,0,0,0,0|3,0,0]=4 1691 B10R0.34 CCC(CC)NC(=O)COC 527a_100000199018_100000210968 [0,1,0,0,0,0|3,0,0]=4 1692 B10R0.34 CCC(CC)NC(=O)CSC 11a_100000199018_100000184570 [0,1,0,0,0,0|3,0,0]=4 1693 B10R0.34 CCC(CC)NC(=O)CSC 1626a_100000199018_100000184570 [0,1,0,0,0,0|3,0,0]=4 1694 B10R0.34 CCC(CC)NC(=O)CSC 240690a_100000199018_100000184570 [0,1,0,0,0,0|3,0,0]=4 1695 B10R0.34 CCC(CC)NC(=O)CSC 527a_100000199018_100000184570 [0,1,0,0,0,0|3,0,0]=4 1696 B10R0.34 CCC(CC)NC(=O)NNC 273464a_100000199018_100016993582 [0,1,0,0,0,0|3,0,0]=4 1697 B10R0.34 CCC(CC)NC(=O)NNC 512a_100000199018_100016993582 [0,1,0,0,0,0|3,0,0]=4 1698 B10R0.34 CCC(CC)NC(=O)NNC 512a_100016993582_100000199018 [0,1,0,0,0,0|3,0,0]=4 1699 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [0,1,0,0,0,0|1,0,0]=2 1700 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [0,1,0,0,0,0|2,0,0]=3 1701 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [0,1,0,0,0,0|2,0,0]=3 1702 B10R0.34 CCCC(=O)CN(CC)CC 1458a_100000758533_100000210303 [0,1,0,0,0,0|2,0,0]=3 1703 B10R0.34 CCCC(=O)CN(CC)CC 2230a_100000724800_100000747444 [0,1,0,0,0,0|2,0,0]=3 1704 B10R0.34 CCCC(=O)CN(CC)CC 269956a_100000042499_100000747444 [0,1,0,0,0,0|2,0,0]=3 1705 B10R0.34 CCCC(=O)CN(CC)CC 269982a_100000724800_100000747444 [0,1,0,0,0,0|2,0,0]=3 1706 B10R0.34 CCCC(=O)NC(CC)CC 11a_100000199018_100000211992 [0,1,0,0,0,0|2,0,0]=3 1707 B10R0.34 CCCC(=O)NC(CC)CC 1626a_100000199018_100000211992 [0,1,0,0,0,0|2,0,0]=3 1708 B10R0.34 CCCC(=O)NC(CC)CC 240690a_100000199018_100000211992 [0,1,0,0,0,0|2,0,0]=3 1709 B10R0.34 CCCC(=O)NC(CC)CC 527a_100000199018_100000211992 [0,1,0,0,0,0|2,0,0]=3 1710 B10R0.34 CCCC(=O)NC(CO)CO 240690a_100000759517_100000211992 [0,1,0,0,0,0|3,0,0]=4 1711 B10R0.34 CCCC(=O)NC(CO)CO 527a_100000759517_100000211992 [0,1,0,0,0,0|3,0,0]=4 1712 B10R0.34 CCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000211992 [0,1,0,0,0,0|2,0,0]=3 1713 B10R0.34 CCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000211992 [0,1,0,0,0,0|2,0,0]=3 1714 B10R0.34 CCCN(C)CC(CC)CC 2230a_100000747261_100011215472 [0,1,0,0,0,0|3,0,0]=4 1715 B10R0.34 CCCN(C)CC(CC)CC 269982a_100000747261_100011215472 [0,1,0,0,0,0|3,0,0]=4 1716 B10R0.34 CCCN(C)CC(CC)CC 270004a_100000747261_100000211137 [0,1,0,0,0,0|3,0,0]=4 1717 B10R0.34 CCN(CC)CC(=O)CCF 1458a_100000758533_100011217306 [0,1,0,0,0,0|3,0,0]=4 1718 B10R0.34 CCN(CC)CC(=O)CCO 1458a_100000758533_100000211926 [0,1,0,0,0,0|3,0,0]=4 1719 B10R0.34 CCN(CC)CC(=O)NCO 2230a_100000724800_100000185155 [0,1,0,0,0,0|3,0,0]=4 1720 B10R0.34 CCN(CC)CC(=O)NCO 269956a_100000042499_100000185155 [0,1,0,0,0,0|3,0,0]=4 1721 B10R0.34 CCN(CC)CC(=O)NCO 269982a_100000724800_100000185155 [0,1,0,0,0,0|3,0,0]=4 1722 B10R0.34 CCN(CC)CC(=O)NNC 22a_100016993582_100000758533 [0,1,0,0,0,0|3,0,0]=4 1723 B10R0.34 CCNC(=O)CC(OC)OC 11a_100015525214_100000082724 [0,1,0,0,0,0|2,0,0]=3 1724 B10R0.34 CCNC(=O)CC(OC)OC 240690a_100015525214_100000082724 [0,1,0,0,0,0|2,0,0]=3 1725 B10R0.34 CCNC(=O)CC(OC)OC 527a_100015525214_100000082724 [0,1,0,0,0,0|2,0,0]=3 1726 B10R0.34 CCNC(=O)CN(CC)CC 11a_100015525214_100000758533 [0,1,0,0,0,0|2,0,0]=3 1727 B10R0.34 CCNC(=O)CN(CC)CC 2230a_100000724800_100000183381 [0,1,0,0,0,0|2,0,0]=3 1728 B10R0.34 CCNC(=O)CN(CC)CC 240690a_100015525214_100000758533 [0,1,0,0,0,0|2,0,0]=3 1729 B10R0.34 CCNC(=O)CN(CC)CC 269956a_100000042499_100000183381 [0,1,0,0,0,0|2,0,0]=3 1730 B10R0.34 CCNC(=O)CN(CC)CC 269982a_100000724800_100000183381 [0,1,0,0,0,0|2,0,0]=3 1731 B10R0.34 CCNC(=O)CN(CC)CC 527a_100015525214_100000758533 [0,1,0,0,0,0|2,0,0]=3 1732 B10R0.34 CCNC(=O)NC(CC)CC 2708a_100000199018_100015525214 [0,1,0,0,0,0|2,0,0]=3 1733 B10R0.34 CCNC(=O)NC(CC)CC 2708a_100015525214_100000199018 [0,1,0,0,0,0|2,0,0]=3 1734 B10R0.34 CCNC(=O)NC(CC)CC 273464a_100000199018_100015525214 [0,1,0,0,0,0|2,0,0]=3 1735 B10R0.34 CCNC(=O)NC(CC)CC 273464a_100015525214_100000199018 [0,1,0,0,0,0|2,0,0]=3 1736 B10R0.34 CCNC(=O)NC(CC)CC 512a_100000199018_100015525214 [0,1,0,0,0,0|2,0,0]=3 1737 B10R0.34 CCNC(=O)NC(CC)CC 512a_100015525214_100000199018 [0,1,0,0,0,0|2,0,0]=3 1738 B10R0.34 CCNC(=O)NC(CO)CO 2708a_100015525214_100000759517 [0,1,0,0,0,0|3,0,0]=4 1739 B10R0.34 CCNC(=O)NC(CO)CO 273464a_100000759517_100015525214 [0,1,0,0,0,0|3,0,0]=4 1740 B10R0.34 CCNC(=O)NC(CO)CO 273464a_100015525214_100000759517 [0,1,0,0,0,0|3,0,0]=4 1741 B10R0.34 CCNC(=O)NC(CO)CO 512a_100015525214_100000759517 [0,1,0,0,0,0|3,0,0]=4 1742 B10R0.34 CCNC(=O)N[C@@H](CC)CO 2708a_100015525214_100000709445 [0,1,0,0,0,0|2,0,0]=3 1743 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100015525214 [0,1,0,0,0,0|2,0,0]=3 1744 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100015525214_100000709445 [0,1,0,0,0,0|2,0,0]=3 1745 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100000709445_100015525214 [0,1,0,0,0,0|2,0,0]=3 1746 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100015525214_100000709445 [0,1,0,0,0,0|2,0,0]=3 1747 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000220607_100000210202 [0,1,0,0,0,0|1,0,0]=2 1748 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000724800_100000188475 [0,1,0,0,0,0|1,0,0]=2 1749 B10R0.34 CCOC(=O)CN(CC)CC 269956a_100000042499_100000188475 [0,1,0,0,0,0|1,0,0]=2 1750 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000220607_100000204670 [0,1,0,0,0,0|1,0,0]=2 1751 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000724800_100000188475 [0,1,0,0,0,0|1,0,0]=2 1752 B10R0.34 CCOC(=O)CN(CC)CF 269982a_100000220607_100015361967 [0,1,0,0,0,0|1,0,0]=2 1753 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [0,1,0,0,0,0|1,0,0]=2 1754 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [0,1,0,0,0,0|1,0,0]=2 1755 B10R0.34 CCOC(C)CC(OC)OC 7a_100011018202_100000210202 [0,1,0,0,0,0|2,0,1]=4 1756 B10R0.34 CC[C@@H](CO)NC(=O)CCO 240690a_100000709445_100011216618 [0,1,0,0,0,0|3,0,0]=4 1757 B10R0.34 CC[C@@H](CO)NC(=O)COC 240690a_100000709445_100000210968 [0,1,0,0,0,0|3,0,0]=4 1758 B10R0.34 CC[C@@H](CO)NC(=O)COC 527a_100000709445_100000210968 [0,1,0,0,0,0|3,0,0]=4 1759 B10R0.34 CC[C@@H](CO)NC(=O)CSC 240690a_100000709445_100000184570 [0,1,0,0,0,0|3,0,0]=4 1760 B10R0.34 CC[C@@H](CO)NC(=O)CSC 527a_100000709445_100000184570 [0,1,0,0,0,0|3,0,0]=4 1761 B10R0.34 CC[C@@H](CO)NC(=O)NNC 273464a_100000709445_100016993582 [0,1,0,0,0,0|3,0,0]=4 1762 B10R0.34 CC[C@@H](CO)NC(=O)NNC 512a_100000709445_100016993582 [0,1,0,0,0,0|3,0,0]=4 1763 B10R0.34 CC[C@@H](CO)NC(=O)NNC 512a_100016993582_100000709445 [0,1,0,0,0,0|3,0,0]=4 1764 B10R0.34 CNNC(=O)CC(OC)OC 22a_100016993582_100000082724 [0,1,0,0,0,0|3,0,0]=4 1765 B10R0.34 COC(CC(=O)CCF)OC 1458a_100000082724_100011217306 [0,1,0,0,0,0|3,0,0]=4 1766 B10R0.34 COC(CC(=O)CCO)OC 1458a_100000082724_100000211926 [0,1,0,0,0,0|3,0,0]=4 1767 B10R0.34 COC(CC(=O)CCO)OC 1458a_100011216618_100000751394 [0,1,0,0,0,0|3,0,0]=4 1768 B10R0.34 COC(CC(=O)CSC)OC 1458a_100000184570_100000751394 [0,1,0,0,0,0|3,0,0]=4 1769 B10R0.34 COCC(=O)CC(OC)OC 1458a_100000210968_100000751394 [0,1,0,0,0,0|3,0,0]=4 1770 B10R0.35 CC/C=C(\C)/C(=O)C(C)CC 1458a_100016988807_100000758301 [0,1,0,0,0,0|2,0,1]=4 1771 B10R0.35 CC=CC(=O)N(C)C(C)CC 11a_100000741768_100000210699 [0,1,0,0,0,0|2,0,1]=4 1772 B10R0.35 CC=CC(=O)N(C)C(C)CC 1626a_100000741768_100000210699 [0,1,0,0,0,0|2,0,1]=4 1773 B10R0.35 CC=CC(=O)N(C)C(C)CC 240690a_100000741768_100000210699 [0,1,0,0,0,0|2,0,1]=4 1774 B10R0.35 CCC(C)C(C)C(C)OCF 7a_200011290770_100015361967 [0,1,0,0,0,0|2,0,1]=4 1775 B10R0.35 CCC(C)N(C)C(=O)CCO 240690a_100000741768_100011216618 [0,1,0,0,0,0|3,0,0]=4 1776 B10R0.35 CCC(C)N(C)C(=O)COC 11a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1777 B10R0.35 CCC(C)N(C)C(=O)COC 1626a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1778 B10R0.35 CCC(C)N(C)C(=O)COC 240690a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1779 B10R0.35 CCC(C)N(C)C(=O)COC 527a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1780 B10R0.35 CCC(C)N(C)C(=O)CSC 11a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1781 B10R0.35 CCC(C)N(C)C(=O)CSC 1626a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1782 B10R0.35 CCC(C)N(C)C(=O)CSC 240690a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1783 B10R0.35 CCC(C)N(C)C(=O)CSC 527a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1784 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,1,0,0,0,0|2,0,1]=4 1785 B10R0.35 CCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210303 [0,1,0,0,0,0|2,0,0]=3 1786 B10R0.35 CCCC(=O)N(C)C(C)CC 11a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1787 B10R0.35 CCCC(=O)N(C)C(C)CC 1626a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1788 B10R0.35 CCCC(=O)N(C)C(C)CC 240690a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1789 B10R0.35 CCCC(=O)N(C)C(C)CC 527a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1790 B10R0.35 CCCC(=O)N(C)C(C)CO 240690a_100000693034_100000211992 [0,1,0,0,0,0|3,0,0]=4 1791 B10R0.35 CCCC(=O)N(C)C(C)CO 527a_100000693034_100000211992 [0,1,0,0,0,0|3,0,0]=4 1792 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,1,0,0,0,0|3,0,0]=4 1793 B10R0.35 CCCN(C)C(C)C(C)CC 270004a_100000747261_100000210599 [0,1,0,0,0,0|3,0,0]=4 1794 B10R0.35 CCN(C)C(C)C(=O)CCF 1458a_100011281945_100011217306 [0,1,0,0,0,0|3,0,0]=4 1795 B10R0.35 CCN(C)C(C)C(=O)CCO 1458a_100011281945_100000211926 [0,1,0,0,0,0|3,0,0]=4 1796 B10R0.35 CCN(C)C(C)C(=O)NNC 22a_100016993582_100011281945 [0,1,0,0,0,0|3,0,0]=4 1797 B10R0.35 CCNC(=O)C(=O)C(C)CC 1458a_200011297158_100000758301 [0,1,0,0,0,0|1,0,1]=3 1798 B10R0.35 CCNC(=O)C(=O)N(C)CC 1626a_100000225621_200011297158 [0,1,0,0,0,0|2,0,1]=4 1799 B10R0.35 CCNC(=O)C(=O)N(C)CC 240690a_100000225621_200011297158 [0,1,0,0,0,0|2,0,1]=4 1800 B10R0.35 CCNC(=O)C(=O)N(C)CC 527a_100000225621_200011297158 [0,1,0,0,0,0|2,0,1]=4 1801 B10R0.35 CCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230173 [0,1,0,0,0,0|2,0,1]=4 1802 B10R0.35 CCNC(=O)C(C)N(C)CC 2230a_100000225621_100000230173 [0,1,0,0,0,0|2,0,0]=3 1803 B10R0.35 CCNC(=O)C(C)N(C)CC 240690a_100015525214_100011281945 [0,1,0,0,0,0|2,0,0]=3 1804 B10R0.35 CCNC(=O)C(C)N(C)CC 269982a_100000225621_100000230173 [0,1,0,0,0,0|2,0,0]=3 1805 B10R0.35 CCNC(=O)C(C)N(C)CC 527a_100015525214_100011281945 [0,1,0,0,0,0|2,0,0]=3 1806 B10R0.35 CCNC(=O)N(C)C(C)CC 2708a_100015525214_100000741768 [0,1,0,0,0,0|2,0,0]=3 1807 B10R0.35 CCNC(=O)N(C)C(C)CC 273464a_100015525214_100000741768 [0,1,0,0,0,0|2,0,0]=3 1808 B10R0.35 CCNC(=O)N(C)C(C)CO 2708a_100015525214_100000693034 [0,1,0,0,0,0|3,0,0]=4 1809 B10R0.35 CCNC(=O)[C@H](O)[C@H](O)CO 240690a_100015525214_100015448053 [0,1,0,0,0,0|3,0,0]=4 1810 B10R0.35 CCOC(=O)C(=O)C(C)NC 2230a_106832991635_100010256902 [0,1,0,0,0,0|1,0,1]=3 1811 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_100010256902_200000210301 [0,1,0,0,0,0|1,0,1]=3 1812 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_200000210301_100010256902 [0,1,0,0,0,0|1,0,1]=3 1813 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_100010256902_200025704644 [0,1,0,0,0,0|1,0,1]=3 1814 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100010256902 [0,1,0,0,0,0|1,0,1]=3 1815 B10R0.35 CCOC(=O)C(=O)N(C)CC 11a_100000225621_100014798877 [0,1,0,0,0,0|1,0,1]=3 1816 B10R0.35 CCOC(=O)C(=O)N(C)CC 1626a_100000225621_100014798877 [0,1,0,0,0,0|1,0,1]=3 1817 B10R0.35 CCOC(=O)C(=O)N(C)CC 240690a_100000225621_100014798877 [0,1,0,0,0,0|1,0,1]=3 1818 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,1,0,0,0,0|1,0,1]=3 1819 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,1,0,0,0,0|1,0,1]=3 1820 B10R0.35 CCOC(=O)C(C)C(=O)CF 1458a_100132301724_100015361967 [0,1,0,0,0,0|2,0,1]=4 1821 B10R0.35 CCOC(=O)C(C)C(=O)CO 1458a_100000210174_100011216346 [0,1,0,0,0,0|2,0,1]=4 1822 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [0,1,0,0,0,0|2,0,1]=4 1823 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [0,1,0,0,0,0|2,0,1]=4 1824 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [0,1,0,0,0,0|2,0,1]=4 1825 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [0,1,0,0,0,0|2,0,1]=4 1826 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [0,1,0,0,0,0|1,0,0]=2 1827 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [0,1,0,0,0,0|1,0,0]=2 1828 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,1,0,0,0,0|1,0,1]=3 1829 B10R0.35 CCOC(=O)C(F)C(=O)CO 1458a_100000210174_100000760018 [0,1,0,0,0,0|2,0,1]=4 1830 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [0,1,0,0,0,0|1,0,0]=2 1831 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [0,1,0,0,0,0|1,0,0]=2 1832 B10R0.35 CCOC(C)C(=O)C(C)CC 1458a_100000739345_100000758301 [0,1,0,0,0,0|1,0,2]=4 1833 B10R0.35 CCOC(C)C(C)C(C)CC 7a_200011290770_100000210202 [0,1,0,0,0,0|1,0,1]=3 1834 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,1,0,0,0,0|1,0,1]=3 1835 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,1,0,0,0,0|2,0,1]=4 1836 B10R0.44 C=C(C)CC(=O)CN(C)CC 1458a_100116209913_100000748629 [0,1,0,0,0,0|2,0,1]=4 1837 B10R0.44 C=C(F)CC(=O)CC(C)CC 1458a_100000708755_100009893438 [0,1,0,0,0,0|1,0,2]=4 1838 B10R0.44 C=CC(C)CC(=O)CC(C)C 1458a_100011934298_100000210624 [0,1,0,0,0,0|1,0,2]=4 1839 B10R0.44 C=CC(C)CC(=O)CC(C)O 1458a_100011934298_100011218427 [0,1,0,0,0,0|1,0,2]=4 1840 B10R0.44 C=CC(C)CC(=O)NC(C)C 11a_100138425928_100011934298 [0,1,0,0,0,0|1,0,2]=4 1841 B10R0.44 C=CC(C)CC(=O)NC(C)C 1626a_100138425928_100011934298 [0,1,0,0,0,0|1,0,2]=4 1842 B10R0.44 C=CC(C)CC(=O)NC(C)C 240690a_100138425928_100011934298 [0,1,0,0,0,0|1,0,2]=4 1843 B10R0.44 C=CC(C)CC(=O)NC(C)C 527a_100138425928_100011934298 [0,1,0,0,0,0|1,0,2]=4 1844 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,1,0,0,0,0|2,0,1]=4 1845 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)Cl 1458a_200042562850_100000059175 [0,1,0,0,0,0|2,0,1]=4 1846 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)I 1458a_100025716642_100000059175 [0,1,0,0,0,0|2,0,1]=4 1847 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [0,1,0,0,0,0|2,0,0]=3 1848 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000210554 [0,1,0,0,0,0|3,0,0]=4 1849 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000210554 [0,1,0,0,0,0|3,0,0]=4 1850 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000210554 [0,1,0,0,0,0|3,0,0]=4 1851 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000210554 [0,1,0,0,0,0|3,0,0]=4 1852 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [0,1,0,0,0,0|3,0,0]=4 1853 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [0,1,0,0,0,0|3,0,0]=4 1854 B10R0.44 CC(C)NC(=O)CN(C)CF 269982a_100000168146_100015361967 [0,1,0,0,0,0|3,0,0]=4 1855 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 2708a_100138425928_100102880703 [0,1,0,0,0,0|3,0,0]=4 1856 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 273464a_100138425928_100102880703 [0,1,0,0,0,0|3,0,0]=4 1857 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100102880703_100138425928 [0,1,0,0,0,0|3,0,0]=4 1858 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100138425928_100102880703 [0,1,0,0,0,0|3,0,0]=4 1859 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 2708a_100138425928_100000737577 [0,1,0,0,0,0|3,0,0]=4 1860 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100000737577_100138425928 [0,1,0,0,0,0|3,0,0]=4 1861 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100138425928_100000737577 [0,1,0,0,0,0|3,0,0]=4 1862 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [0,1,0,0,0,0|2,0,1]=4 1863 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_100000067433_200025704644 [0,1,0,0,0,0|2,0,0]=3 1864 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_200025704644_100000067433 [0,1,0,0,0,0|2,0,0]=3 1865 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,1,0,0,0,0|1,0,2]=4 1866 B10R0.44 CCC(=CC(=O)CC(C)O)C 1458a_100020758463_100011218427 [0,1,0,0,0,0|1,0,2]=4 1867 B10R0.44 CCC(=CC(=O)NC(C)C)C 11a_100138425928_100020758463 [0,1,0,0,0,0|1,0,2]=4 1868 B10R0.44 CCC(=CC(=O)NC(C)C)C 1626a_100138425928_100020758463 [0,1,0,0,0,0|1,0,2]=4 1869 B10R0.44 CCC(=CC(=O)NC(C)C)C 240690a_100138425928_100020758463 [0,1,0,0,0,0|1,0,2]=4 1870 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,1,0,0,0,0|2,0,1]=4 1871 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,1,0,0,0,0|2,0,1]=4 1872 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [0,1,0,0,0,0|2,0,1]=4 1873 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,1,0,0,0,0|1,0,1]=3 1874 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,1,0,0,0,0|1,0,1]=3 1875 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,1,0,0,0,0|1,0,1]=3 1876 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,1,0,0,0,0|1,0,1]=3 1877 B10R0.44 CCC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000748023 [0,1,0,0,0,0|2,0,1]=4 1878 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,1,0,0,0,0|2,0,1]=4 1879 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,1,0,0,0,0|2,0,1]=4 1880 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,1,0,0,0,0|2,0,1]=4 1881 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,1,0,0,0,0|1,0,0]=2 1882 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,1,0,0,0,0|1,0,0]=2 1883 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,1,0,0,0,0|1,0,0]=2 1884 B10R0.44 CCC(C)CC(=O)CC(F)F 1458a_100000708755_100011934356 [0,1,0,0,0,0|2,0,0]=3 1885 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [0,1,0,0,0,0|2,0,0]=3 1886 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,1,0,0,0,0|1,0,0]=2 1887 B10R0.44 CCC(C)CC(=O)C[N+](=O)[O-] 1458a_100000708755_100000761209 [0,1,0,0,0,0|3,0,0]=4 1888 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [0,1,0,0,0,0|2,0,0]=3 1889 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,1,0,0,0,0|1,0,0]=2 1890 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,1,0,0,0,0|1,0,0]=2 1891 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,1,0,0,0,0|1,0,0]=2 1892 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,1,0,0,0,0|1,0,0]=2 1893 B10R0.44 CCC(C)CC(C)NC(C)C 2230a_100000763565_100000210206 [0,1,0,0,0,0|2,0,1]=4 1894 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000747067_100000748023 [0,1,0,0,0,0|3,0,0]=4 1895 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000753921_100000210760 [0,1,0,0,0,0|3,0,0]=4 1896 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000747067_100000748023 [0,1,0,0,0,0|3,0,0]=4 1897 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000753921_100000210624 [0,1,0,0,0,0|3,0,0]=4 1898 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000747067_100000243153 [0,1,0,0,0,0|3,0,0]=4 1899 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000753921_100000210432 [0,1,0,0,0,0|3,0,0]=4 1900 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000227577_100000748023 [0,1,0,0,0,0|3,0,0]=4 1901 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000753921_100011218427 [0,1,0,0,0,0|3,0,0]=4 1902 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000227577_100000748023 [0,1,0,0,0,0|3,0,0]=4 1903 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000753921_100011218427 [0,1,0,0,0,0|3,0,0]=4 1904 B10R0.44 CCC(C)CN(C)CC(C)O 270004a_100000227577_100000243153 [0,1,0,0,0,0|3,0,0]=4 1905 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 2230a_100000753921_100009817552 [0,1,0,0,0,0|3,0,0]=4 1906 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 269982a_100000753921_100009817552 [0,1,0,0,0,0|3,0,0]=4 1907 B10R0.44 CCC(C)NC(=O)C=C(C)C 11a_100000209981_100000211388 [0,1,0,0,0,0|2,0,1]=4 1908 B10R0.44 CCC(C)NC(=O)C=C(C)C 1626a_100000209981_100000211388 [0,1,0,0,0,0|2,0,1]=4 1909 B10R0.44 CCC(C)NC(=O)C=C(C)C 240690a_100000209981_100000211388 [0,1,0,0,0,0|2,0,1]=4 1910 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 11a_100000209981_200042562850 [0,1,0,0,0,0|2,0,1]=4 1911 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 1626a_100000209981_200042562850 [0,1,0,0,0,0|2,0,1]=4 1912 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 240690a_100000209981_200042562850 [0,1,0,0,0,0|2,0,1]=4 1913 B10R0.44 CCC(C)NC(=O)C=C(C)I 11a_100000209981_100025716642 [0,1,0,0,0,0|2,0,1]=4 1914 B10R0.44 CCC(C)NC(=O)C=C(C)I 1626a_100000209981_100025716642 [0,1,0,0,0,0|2,0,1]=4 1915 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,1,0,0,0,0|2,0,1]=4 1916 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [0,1,0,0,0,0|2,0,0]=3 1917 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [0,1,0,0,0,0|2,0,0]=3 1918 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [0,1,0,0,0,0|2,0,0]=3 1919 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [0,1,0,0,0,0|2,0,0]=3 1920 B10R0.44 CCC(C)NC(=O)CN(C)C 11a_100000209981_100000750896 [0,1,0,0,0,0|3,0,0]=4 1921 B10R0.44 CCC(C)NC(=O)CN(C)C 2230a_100102631434_100000182745 [0,1,0,0,0,0|3,0,0]=4 1922 B10R0.44 CCC(C)NC(=O)CN(C)C 240690a_100000209981_100000750896 [0,1,0,0,0,0|3,0,0]=4 1923 B10R0.44 CCC(C)NC(=O)CN(C)C 269982a_100102631434_100000182745 [0,1,0,0,0,0|3,0,0]=4 1924 B10R0.44 CCC(C)NC(=O)CN(C)C 527a_100000209981_100000750896 [0,1,0,0,0,0|3,0,0]=4 1925 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [0,1,0,0,0,0|2,0,0]=3 1926 B10R0.44 CCC(C)NC(=O)C[S+](C)C 11a_100000209981_200159257847 [0,1,0,0,0,0|3,0,0]=4 1927 B10R0.44 CCC(C)NC(=O)C[S+](C)C 1626a_100000209981_200159257847 [0,1,0,0,0,0|3,0,0]=4 1928 B10R0.44 CCC(C)NC(=O)C[S+](C)C 240690a_100000209981_200159257847 [0,1,0,0,0,0|3,0,0]=4 1929 B10R0.44 CCC(C)NC(=O)C[S+](C)C 527a_100000209981_200159257847 [0,1,0,0,0,0|3,0,0]=4 1930 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100000209981_100138425928 [0,1,0,0,0,0|2,0,0]=3 1931 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100138425928_100000209981 [0,1,0,0,0,0|2,0,0]=3 1932 B10R0.44 CCC(C)NC(=O)NC(C)C 273464a_100138425928_100000209981 [0,1,0,0,0,0|2,0,0]=3 1933 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100000209981_100138425928 [0,1,0,0,0,0|2,0,0]=3 1934 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100138425928_100000209981 [0,1,0,0,0,0|2,0,0]=3 1935 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [0,1,0,0,0,0|2,0,1]=4 1936 B10R0.44 CCC(O)CC(=O)C=C(C)Cl 1458a_200042562850_100011218378 [0,1,0,0,0,0|2,0,1]=4 1937 B10R0.44 CCC(O)CC(=O)C=C(C)I 1458a_100025716642_100011218378 [0,1,0,0,0,0|2,0,1]=4 1938 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,1,0,0,0,0|2,0,0]=3 1939 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,1,0,0,0,0|2,0,0]=3 1940 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,1,0,0,0,0|2,0,0]=3 1941 B10R0.44 CCC(O)CC(=O)CC(F)F 1458a_100011667805_100011934356 [0,1,0,0,0,0|3,0,0]=4 1942 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [0,1,0,0,0,0|3,0,0]=4 1943 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,1,0,0,0,0|2,0,0]=3 1944 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [0,1,0,0,0,0|3,0,0]=4 1945 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,1,0,0,0,0|2,0,0]=3 1946 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,1,0,0,0,0|2,0,0]=3 1947 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [0,1,0,0,0,0|2,0,0]=3 1948 B10R0.44 CCN(C)CC(=O)CC(C)O 1458a_100116209913_100011218427 [0,1,0,0,0,0|2,0,0]=3 1949 B10R0.44 CCN(C)CC(=O)CC(F)F 1458a_100116209913_100011934356 [0,1,0,0,0,0|3,0,0]=4 1950 B10R0.44 CCN(C)CC(=O)NC(=O)C 269982a_100000225621_100000183797 [0,1,0,0,0,0|2,0,1]=4 1951 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210202 [0,1,0,0,0,0|2,0,0]=3 1952 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000225621_100000183996 [0,1,0,0,0,0|2,0,0]=3 1953 B10R0.44 CCN(C)CC(=O)NC(C)C 240690a_100138425928_100116209913 [0,1,0,0,0,0|2,0,0]=3 1954 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000168146_100000204670 [0,1,0,0,0,0|2,0,0]=3 1955 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000225621_100000183996 [0,1,0,0,0,0|2,0,0]=3 1956 B10R0.44 CCN(C)CC(=O)NC(C)C 527a_100138425928_100116209913 [0,1,0,0,0,0|2,0,0]=3 1957 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [0,1,0,0,0,0|1,0,0]=2 1958 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [0,1,0,0,0,0|1,0,0]=2 1959 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,1,0,0,0,0|1,0,1]=3 1960 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,1,0,0,0,0|1,0,1]=3 1961 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,1,0,0,0,0|1,0,1]=3 1962 B10R0.44 CC[C@H](C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100009816398 [0,1,0,0,0,0|2,0,1]=4 1963 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,1,0,0,0,0|2,0,1]=4 1964 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,1,0,0,0,0|1,0,0]=2 1965 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [0,1,0,0,0,0|2,0,0]=3 1966 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,1,0,0,0,0|1,0,0]=2 1967 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [0,1,0,0,0,0|2,0,0]=3 1968 B10R0.44 CC[C@H](C)CN(C)CC(C)C 2230a_100000747067_100009816398 [0,1,0,0,0,0|3,0,0]=4 1969 B10R0.44 CC[C@H](C)CN(C)CC(C)C 269982a_100000747067_100009816398 [0,1,0,0,0,0|3,0,0]=4 1970 B10R0.44 CC[C@H](C)CN(C)CC(C)O 2230a_100000227577_100009816398 [0,1,0,0,0,0|3,0,0]=4 1971 B10R0.44 CC[C@H](C)CN(C)CC(C)O 269982a_100000227577_100009816398 [0,1,0,0,0,0|3,0,0]=4 1972 B10R0.44 CNC(C)OC(=O)OC(C)C 7a_106832991635_100000067433 [0,1,0,0,0,0|2,0,0]=3 1973 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_100000067433_200000210301 [0,1,0,0,0,0|2,0,0]=3 1974 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_200000210301_100000067433 [0,1,0,0,0,0|2,0,0]=3 1975 B10R0.44 C[C@@H](CO)CC(=O)CN(C)C 1458a_100000750896_100000059175 [0,1,0,0,0,0|3,0,0]=4 1976 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [0,1,0,0,0,0|2,0,0]=3 1977 B10R0.44 C[C@@H](CO)CC(=O)C[S+](C)C 1458a_200159257847_100000059175 [0,1,0,0,0,0|3,0,0]=4 1978 B10R0.44 C[C@H](CF)NC(=O)C[C@@H](C)O 240690a_100102880703_100011933948 [0,1,0,0,0,0|3,0,0]=4 1979 B10R0.44 C[C@H](CO)NC(=O)C[C@@H](C)O 240690a_100000737577_100011933948 [0,1,0,0,0,0|3,0,0]=4 1980 B10R0.46 C#CC(C)C(=O)CC(C)CC 1458a_100000708755_200000035995 [0,1,0,0,0,0|1,0,2]=4 1981 B10R0.46 C/C=C(\C)/C(=O)CC(C)CC 1458a_100020587367_100000748023 [0,1,0,0,0,0|1,0,1]=3 1982 B10R0.46 C/C=C(\C)/C(=O)CC(O)CC 1458a_100020587367_100011218378 [0,1,0,0,0,0|2,0,1]=4 1983 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_100020587367_100009816398 [0,1,0,0,0,0|1,0,1]=3 1984 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CO 1458a_100020587367_100000059175 [0,1,0,0,0,0|2,0,1]=4 1985 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 11a_100000209981_100020587367 [0,1,0,0,0,0|2,0,1]=4 1986 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 1626a_100000209981_100020587367 [0,1,0,0,0,0|2,0,1]=4 1987 B10R0.46 C=CC(C)C(=O)CC(C)CC 1458a_100011216780_100000748023 [0,1,0,0,0,0|1,0,2]=4 1988 B10R0.46 C=CC(C)C(=O)C[C@@H](C)CC 1458a_100011216780_100009816398 [0,1,0,0,0,0|1,0,2]=4 1989 B10R0.46 C=CC(C)CC(=O)C(C)CC 1458a_100011934298_100000758301 [0,1,0,0,0,0|1,0,2]=4 1990 B10R0.46 C=CC(C)CC(=O)N(C)CC 11a_100000225621_100011934298 [0,1,0,0,0,0|1,0,2]=4 1991 B10R0.46 C=CC(C)CC(=O)N(C)CC 1626a_100000225621_100011934298 [0,1,0,0,0,0|1,0,2]=4 1992 B10R0.46 C=CC(C)CC(=O)N(C)CC 240690a_100000225621_100011934298 [0,1,0,0,0,0|1,0,2]=4 1993 B10R0.46 C=CC(C)CC(=O)N(C)CC 527a_100000225621_100011934298 [0,1,0,0,0,0|1,0,2]=4 1994 B10R0.46 CCC(=CC(=O)C(C)CC)C 1458a_100020758463_100000758301 [0,1,0,0,0,0|1,0,2]=4 1995 B10R0.46 CCC(=CC(=O)N(C)CC)C 11a_100000225621_100020758463 [0,1,0,0,0,0|1,0,2]=4 1996 B10R0.46 CCC(=CC(=O)N(C)CC)C 1626a_100000225621_100020758463 [0,1,0,0,0,0|1,0,2]=4 1997 B10R0.46 CCC(=CC(=O)N(C)CC)C 240690a_100000225621_100020758463 [0,1,0,0,0,0|1,0,2]=4 1998 B10R0.46 CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210202 [0,1,0,0,0,0|2,0,0]=3 1999 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [0,1,0,0,0,0|2,0,1]=4 2000 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [0,1,0,0,0,0|2,0,1]=4 2001 B10R0.46 CCC(=O)CC(=O)N(C)CC 1458a_100000210414_100011894763 [0,1,0,0,0,0|2,0,1]=4 2002 B10R0.46 CCC(=O)N(C)CC(C)CC 11a_100000753921_100000210414 [0,1,0,0,0,0|3,0,0]=4 2003 B10R0.46 CCC(=O)N(C)CC(C)CC 1626a_100000753921_100000210414 [0,1,0,0,0,0|3,0,0]=4 2004 B10R0.46 CCC(=O)N(C)CC(C)CC 240690a_100000753921_100000210414 [0,1,0,0,0,0|3,0,0]=4 2005 B10R0.46 CCC(=O)N(C)CC(C)CC 527a_100000753921_100000210414 [0,1,0,0,0,0|3,0,0]=4 2006 B10R0.46 CCC(C)C(=O)CN(C)CC 1458a_100116209913_100000758301 [0,1,0,0,0,0|2,0,0]=3 2007 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [0,1,0,0,0,0|1,0,0]=2 2008 B10R0.46 CCC(C)C(=O)C[C@@H](C)CO 1458a_100011192722_100000059175 [0,1,0,0,0,0|2,0,0]=3 2009 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 11a_100102880703_100011192722 [0,1,0,0,0,0|3,0,0]=4 2010 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100011192722 [0,1,0,0,0,0|3,0,0]=4 2011 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100011192722 [0,1,0,0,0,0|3,0,0]=4 2012 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 527a_100102880703_100011192722 [0,1,0,0,0,0|3,0,0]=4 2013 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100011192722 [0,1,0,0,0,0|3,0,0]=4 2014 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100011192722 [0,1,0,0,0,0|3,0,0]=4 2015 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,1,0,0,0,0|2,0,0]=3 2016 B10R0.46 CCC(C)CC(=O)C(C)C#N 1458a_100000708755_100000703298 [0,1,0,0,0,0|2,0,1]=4 2017 B10R0.46 CCC(C)CC(=O)C(C)C#N 1458a_100000753662_100000748023 [0,1,0,0,0,0|2,0,1]=4 2018 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [0,1,0,0,0,0|1,0,0]=2 2019 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [0,1,0,0,0,0|1,0,0]=2 2020 B10R0.46 CCC(C)CC(=O)C(C)OC 1458a_100000743197_100000748023 [0,1,0,0,0,0|2,0,0]=3 2021 B10R0.46 CCC(C)CC(=O)C(C)SC 1458a_100000149566_100000748023 [0,1,0,0,0,0|2,0,0]=3 2022 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,1,0,0,0,0|1,0,0]=2 2023 B10R0.46 CCC(C)CC(=O)C(O)CO 1458a_100011215603_100000748023 [0,1,0,0,0,0|2,0,0]=3 2024 B10R0.46 CCC(C)CC(=O)N(C)CC 11a_100000225621_100000708755 [0,1,0,0,0,0|1,0,0]=2 2025 B10R0.46 CCC(C)CC(=O)N(C)CC 1626a_100000225621_100000708755 [0,1,0,0,0,0|1,0,0]=2 2026 B10R0.46 CCC(C)CC(=O)N(C)CC 240690a_100000225621_100000708755 [0,1,0,0,0,0|1,0,0]=2 2027 B10R0.46 CCC(C)CC(=O)N(C)CC 527a_100000225621_100000708755 [0,1,0,0,0,0|1,0,0]=2 2028 B10R0.46 CCC(C)CN(C)C(C)CC 2230a_100000741768_100000748023 [0,1,0,0,0,0|3,0,0]=4 2029 B10R0.46 CCC(C)CN(C)C(C)CC 2230a_100000753921_100000758301 [0,1,0,0,0,0|3,0,0]=4 2030 B10R0.46 CCC(C)CN(C)C(C)CC 269982a_100000741768_100000748023 [0,1,0,0,0,0|3,0,0]=4 2031 B10R0.46 CCC(C)CN(C)C(C)CC 269982a_100000753921_100000758301 [0,1,0,0,0,0|3,0,0]=4 2032 B10R0.46 CCC(C)CN(C)C(C)CC 270004a_100000741768_100000243153 [0,1,0,0,0,0|3,0,0]=4 2033 B10R0.46 CCC(C)N(C)C[C@@H](C)CC 2230a_100000741768_100009816398 [0,1,0,0,0,0|3,0,0]=4 2034 B10R0.46 CCC(C)N(C)C[C@@H](C)CC 269982a_100000741768_100009816398 [0,1,0,0,0,0|3,0,0]=4 2035 B10R0.46 CCC(C)NC(=O)C(=O)CF 1458a_200011297154_100015361967 [0,1,0,0,0,0|3,0,0]=4 2036 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100000209981_100011218921 [0,1,0,0,0,0|3,0,0]=4 2037 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100102657272_200011297154 [0,1,0,0,0,0|3,0,0]=4 2038 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100000209981_100011218921 [0,1,0,0,0,0|3,0,0]=4 2039 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100102657272_200011297154 [0,1,0,0,0,0|3,0,0]=4 2040 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100000209981_100011218921 [0,1,0,0,0,0|3,0,0]=4 2041 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100102657272_200011297154 [0,1,0,0,0,0|3,0,0]=4 2042 B10R0.46 CCC(C)NC(=O)C(=O)OC 11a_100000209981_100000024059 [0,1,0,0,0,0|3,0,0]=4 2043 B10R0.46 CCC(C)NC(=O)C(=O)OC 1626a_100000209981_100000024059 [0,1,0,0,0,0|3,0,0]=4 2044 B10R0.46 CCC(C)NC(=O)C(=O)OC 240690a_100000209981_100000024059 [0,1,0,0,0,0|3,0,0]=4 2045 B10R0.46 CCC(C)NC(=O)C(=O)OC 527a_100000209981_100000024059 [0,1,0,0,0,0|3,0,0]=4 2046 B10R0.46 CCC(C)NC(=O)C(C)CC 11a_100000209981_100011192722 [0,1,0,0,0,0|2,0,0]=3 2047 B10R0.46 CCC(C)NC(=O)C(C)CC 1626a_100000209981_100011192722 [0,1,0,0,0,0|2,0,0]=3 2048 B10R0.46 CCC(C)NC(=O)C(C)CC 240690a_100000209981_100011192722 [0,1,0,0,0,0|2,0,0]=3 2049 B10R0.46 CCC(C)NC(=O)C(C)CC 527a_100000209981_100011192722 [0,1,0,0,0,0|2,0,0]=3 2050 B10R0.46 CCC(C)NC(=O)C(C)NC 2230a_106832991635_100000735909 [0,1,0,0,0,0|3,0,0]=4 2051 B10R0.46 CCC(C)NC(=O)C(C)NC 7a_106832991635_100000735909 [0,1,0,0,0,0|3,0,0]=4 2052 B10R0.46 CCC(C)NC(=O)C(C)OC 11a_100000209981_100000743197 [0,1,0,0,0,0|3,0,0]=4 2053 B10R0.46 CCC(C)NC(=O)C(C)OC 1626a_100000209981_100000743197 [0,1,0,0,0,0|3,0,0]=4 2054 B10R0.46 CCC(C)NC(=O)C(C)OC 240690a_100000209981_100000743197 [0,1,0,0,0,0|3,0,0]=4 2055 B10R0.46 CCC(C)NC(=O)C(C)OC 527a_100000209981_100000743197 [0,1,0,0,0,0|3,0,0]=4 2056 B10R0.46 CCC(C)NC(=O)C(C)SC 11a_100000209981_100000149566 [0,1,0,0,0,0|3,0,0]=4 2057 B10R0.46 CCC(C)NC(=O)C(C)SC 1626a_100000209981_100000149566 [0,1,0,0,0,0|3,0,0]=4 2058 B10R0.46 CCC(C)NC(=O)C(C)SC 240690a_100000209981_100000149566 [0,1,0,0,0,0|3,0,0]=4 2059 B10R0.46 CCC(C)NC(=O)C(C)SC 527a_100000209981_100000149566 [0,1,0,0,0,0|3,0,0]=4 2060 B10R0.46 CCC(C)NC(=O)C(C)SC 62a_100000735909_200000210301 [0,1,0,0,0,0|3,0,0]=4 2061 B10R0.46 CCC(C)NC(=O)C(C)SC 62a_200000210301_100000735909 [0,1,0,0,0,0|3,0,0]=4 2062 B10R0.46 CCC(C)NC(=O)C(C)S[13CH3] 62a_100000735909_200025704644 [0,1,0,0,0,0|3,0,0]=4 2063 B10R0.46 CCC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000735909 [0,1,0,0,0,0|3,0,0]=4 2064 B10R0.46 CCC(C)NC(=O)C(O)CC 240690a_100000209981_100011196387 [0,1,0,0,0,0|2,0,0]=3 2065 B10R0.46 CCC(C)NC(=O)C(O)CO 240690a_100000209981_100011215603 [0,1,0,0,0,0|3,0,0]=4 2066 B10R0.46 CCC(C)NC(=O)N(C)CC 2708a_100000209981_100000225621 [0,1,0,0,0,0|2,0,0]=3 2067 B10R0.46 CCC(C)NC(=O)N(C)CC 273464a_100000209981_100000225621 [0,1,0,0,0,0|2,0,0]=3 2068 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,1,0,0,0,0|1,0,0]=2 2069 B10R0.46 CCC(O)C(=O)C[C@@H](C)CO 1458a_100011196387_100000059175 [0,1,0,0,0,0|2,0,0]=3 2070 B10R0.46 CCC(O)C(=O)N[C@H](C)CF 240690a_100102880703_100011196387 [0,1,0,0,0,0|3,0,0]=4 2071 B10R0.46 CCC(O)C(=O)N[C@H](C)CO 240690a_100000737577_100011196387 [0,1,0,0,0,0|3,0,0]=4 2072 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,1,0,0,0,0|3,0,0]=4 2073 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,1,0,0,0,0|2,0,0]=3 2074 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,1,0,0,0,0|2,0,0]=3 2075 B10R0.46 CCC(O)CC(=O)C(C)OC 1458a_100000743197_100011218378 [0,1,0,0,0,0|3,0,0]=4 2076 B10R0.46 CCC(O)CC(=O)C(C)SC 1458a_100000149566_100011218378 [0,1,0,0,0,0|3,0,0]=4 2077 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,1,0,0,0,0|2,0,0]=3 2078 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [0,1,0,0,0,0|3,0,0]=4 2079 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [0,1,0,0,0,0|2,0,0]=3 2080 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [0,1,0,0,0,0|2,0,0]=3 2081 B10R0.46 CCN(C)C(=O)N[C@H](C)CF 273464a_100102880703_100000225621 [0,1,0,0,0,0|3,0,0]=4 2082 B10R0.46 CCN(C)C(=O)N[C@H](C)CO 273464a_100000737577_100000225621 [0,1,0,0,0,0|3,0,0]=4 2083 B10R0.46 CCN(C)CC(=O)N(C)CC 2230a_100000225621_100000738999 [0,1,0,0,0,0|2,0,0]=3 2084 B10R0.46 CCN(C)CC(=O)N(C)CC 240690a_100000225621_100116209913 [0,1,0,0,0,0|2,0,0]=3 2085 B10R0.46 CCN(C)CC(=O)N(C)CC 269982a_100000225621_100000738999 [0,1,0,0,0,0|2,0,0]=3 2086 B10R0.46 CCN(C)CC(=O)N(C)CC 527a_100000225621_100116209913 [0,1,0,0,0,0|2,0,0]=3 2087 B10R0.46 CCN(C)CC(=O)N(C)OC 2230a_100000225621_100000764215 [0,1,0,0,0,0|3,0,0]=4 2088 B10R0.46 CCN(C)CC(=O)N(C)OC 269982a_100000225621_100000764215 [0,1,0,0,0,0|3,0,0]=4 2089 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,1,0,0,0,0|2,0,0]=3 2090 B10R0.46 CC[C@H](C)CC(=O)C(C)C#N 1458a_100000753662_100009816398 [0,1,0,0,0,0|2,0,1]=4 2091 B10R0.46 CC[C@H](C)CC(=O)C(C)OC 1458a_100000743197_100009816398 [0,1,0,0,0,0|2,0,0]=3 2092 B10R0.46 CC[C@H](C)CC(=O)C(C)SC 1458a_100000149566_100009816398 [0,1,0,0,0,0|2,0,0]=3 2093 B10R0.46 CC[C@H](C)CC(=O)C(O)CO 1458a_100011215603_100009816398 [0,1,0,0,0,0|2,0,0]=3 2094 B10R0.46 CNC(=O)C(=O)C[C@@H](C)CO 1458a_100011218921_100000059175 [0,1,0,0,0,0|3,0,0]=4 2095 B10R0.46 COC(C)C(=O)C[C@@H](C)CO 1458a_100000743197_100000059175 [0,1,0,0,0,0|3,0,0]=4 2096 B10R0.46 CSC(C)C(=O)C[C@@H](C)CO 1458a_100000149566_100000059175 [0,1,0,0,0,0|3,0,0]=4 2097 B10R0.46 C[C@@H](CO)CC(=O)C(O)CO 1458a_100011215603_100000059175 [0,1,0,0,0,0|3,0,0]=4 2098 B10R0.148 CCCS(=O)(=O)NC(C)CC 270084a_100000209981_100000211391 [0,1,0,0,0,0|3,0,0]=4 2099 B10R0.148 CCCS(=O)(=O)NC(C)CC 274078a_100000209981_100000211391 [0,1,0,0,0,0|3,0,0]=4 2100 B10R0.148 CCCS(=O)(=O)NC(C)CC 40a_100000209981_100000054278 [0,1,0,0,0,0|3,0,0]=4 2101 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 34a_200000691454_200025704644 [0,0,0,1,0,0|2,0,1]=4 2102 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 7a_200000691454_200025704644 [0,0,0,1,0,0|2,0,1]=4 2103 B10R1.8 CCN1CC(OC(C1)C)C 2230a_100000210032_100000210202 [0,0,0,1,0,0|2,0,1]=4 2104 B10R1.8 CCN1CC(OC(C1)C)C 269982a_100000210032_100000204670 [0,0,0,1,0,0|2,0,1]=4 2105 B10R1.8 CCN1CC(OC(C1)C)C 34a_100000210032_100000210202 [0,0,0,1,0,0|2,0,1]=4 2106 B10R1.8 CNC1CC(OC(C1)C)C 270004a_106832991635_200102525066 [0,0,0,1,0,0|2,0,1]=4 2107 B10R1.8 COC1CC(OC(C1)C)C 34a_200000691454_200000210301 [0,0,0,1,0,0|2,0,1]=4 2108 B10R1.8 COC1CC(OC(C1)C)C 7a_200000691454_200000210301 [0,0,0,1,0,0|2,0,1]=4 2109 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,0,0,1,0,0|2,0,1]=4 2110 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [0,0,0,1,0,0|3,0,0]=4 2111 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [0,0,0,1,0,0|3,0,0]=4 2112 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [0,0,0,1,0,0|3,0,0]=4 2113 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,0,0,1,0,0|2,0,1]=4 2114 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,0,0,1,0,0|2,0,1]=4 2115 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,0,0,1,0,0|2,0,1]=4 2116 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,0,0,1,0,0|1,0,1]=3 2117 B10R1.10 CCOC1CCCN(C1)C 2230a_100000745229_200000210301 [0,0,0,1,0,0|2,0,1]=4 2118 B10R1.10 CCOC1CCCN(C1)C 269982a_100000745229_200000210301 [0,0,0,1,0,0|2,0,1]=4 2119 B10R1.10 CCOC1CCCN(C1)C 34a_100000745229_200000210301 [0,0,0,1,0,0|2,0,1]=4 2120 B10R1.10 CCOC1CCCN(C1)[13CH3] 2230a_100000745229_200025704644 [0,0,0,1,0,0|2,0,1]=4 2121 B10R1.10 CCOC1CCCN(C1)[13CH3] 269982a_100000745229_200025704644 [0,0,0,1,0,0|2,0,1]=4 2122 B10R1.10 CCOC1CCCN(C1)[13CH3] 34a_100000745229_200025704644 [0,0,0,1,0,0|2,0,1]=4 2123 B10R1.10 CCOC1CCOC(C1)C 34a_100011986385_100000210202 [0,0,0,1,0,0|2,0,1]=4 2124 B10R1.10 CCOC1CCOC(C1)C 7a_100011986385_100000210202 [0,0,0,1,0,0|2,0,1]=4 2125 B10R1.25 CCN1CCN(CC1=O)C 2230a_100000701330_200000210301 [0,0,0,1,0,0|2,0,0]=3 2126 B10R1.25 CCN1CCN(CC1=O)C 269982a_100000701330_200000210301 [0,0,0,1,0,0|2,0,0]=3 2127 B10R1.25 CCN1CCN(CC1=O)[13CH3] 2230a_100000701330_200025704644 [0,0,0,1,0,0|2,0,0]=3 2128 B10R1.25 CCN1CCN(CC1=O)[13CH3] 269982a_100000701330_200025704644 [0,0,0,1,0,0|2,0,0]=3 2129 B10R1.27 CCC(C)CN1CCCC1 2230a_100000188435_100000748023 [0,0,0,1,0,0|3,0,0]=4 2130 B10R1.27 CCC(C)CN1CCCC1 269982a_100000188435_100000748023 [0,0,0,1,0,0|3,0,0]=4 2131 B10R1.27 CCC(C)CN1CCCC1 270004a_100000188435_100000243153 [0,0,0,1,0,0|3,0,0]=4 2132 B10R1.27 CCC(C)OC1CCCO1 34a_100000085407_100011215416 [0,0,0,1,0,0|2,0,1]=4 2133 B10R1.27 CCN(C)CC1=NCCN1 269982a_100000225621_100000737910 [0,0,0,1,0,0|3,0,0]=4 2134 B10R1.27 CCN(C)CC1CCCO1 2230a_100000186375_200000210301 [0,0,0,1,0,0|2,0,1]=4 2135 B10R1.27 CCN(C)CC1CCCO1 2230a_100000225621_100000203698 [0,0,0,1,0,0|2,0,1]=4 2136 B10R1.27 CCN(C)CC1CCCO1 2230a_100102946541_100000210202 [0,0,0,1,0,0|2,0,1]=4 2137 B10R1.27 CCN(C)CC1CCCO1 269982a_100000186375_200000210301 [0,0,0,1,0,0|2,0,1]=4 2138 B10R1.27 CCN(C)CC1CCCO1 269982a_100000225621_100000183445 [0,0,0,1,0,0|2,0,1]=4 2139 B10R1.27 CCN(C)CC1CCCO1 269982a_100102946541_100000204670 [0,0,0,1,0,0|2,0,1]=4 2140 B10R1.27 CCN(C)CC1CCCO1 34a_100000186375_200000210301 [0,0,0,1,0,0|2,0,1]=4 2141 B10R1.27 CCN(C)CC1CCCO1 34a_100102946541_100000210202 [0,0,0,1,0,0|2,0,1]=4 2142 B10R1.27 CCN(C)CC1OCCO1 2230a_100000225621_100000755774 [0,0,0,1,0,0|1,0,2]=4 2143 B10R1.27 CCN(C)CC1OCCO1 2230a_200000032744_100000210202 [0,0,0,1,0,0|1,0,2]=4 2144 B10R1.27 CCN(C)CC1OCCO1 269982a_100000225621_100000755774 [0,0,0,1,0,0|1,0,2]=4 2145 B10R1.27 CCN(C)CC1OCCO1 269982a_200000032744_100000204670 [0,0,0,1,0,0|1,0,2]=4 2146 B10R1.27 CCN(C)CC1OCCO1 34a_200000032744_100000210202 [0,0,0,1,0,0|1,0,2]=4 2147 B10R1.27 CCN([13CH3])CC1CCCO1 2230a_100000186375_200025704644 [0,0,0,1,0,0|2,0,1]=4 2148 B10R1.27 CCN([13CH3])CC1CCCO1 269982a_100000186375_200025704644 [0,0,0,1,0,0|2,0,1]=4 2149 B10R1.27 CCN([13CH3])CC1CCCO1 34a_100000186375_200025704644 [0,0,0,1,0,0|2,0,1]=4 2150 B10R1.27 CC[C@H](C)CN1CCCC1 2230a_100000188435_100009816398 [0,0,0,1,0,0|3,0,0]=4 2151 B10R1.27 CC[C@H](C)CN1CCCC1 269982a_100000188435_100009816398 [0,0,0,1,0,0|3,0,0]=4 2152 B10R1.35 CCN1CC(CC1=O)NC 2230a_100015184948_200000210301 [0,0,0,1,0,0|2,0,0]=3 2153 B10R1.35 CCN1CC(CC1=O)NC 34a_100015184948_200000210301 [0,0,0,1,0,0|2,0,0]=3 2154 B10R1.35 CCN1CC(CC1=O)N[13CH3] 2230a_100015184948_200025704644 [0,0,0,1,0,0|2,0,0]=3 2155 B10R1.35 CCN1CC(CC1=O)N[13CH3] 34a_100015184948_200025704644 [0,0,0,1,0,0|2,0,0]=3 2156 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [0,0,0,1,0,0|2,0,1]=4 2157 B10R1.96 CCO[C@H]1CCN(C1)CC 2230a_100011787710_100000210202 [0,0,0,1,0,0|2,0,1]=4 2158 B10R1.96 CCO[C@H]1CCN(C1)CC 269982a_100011787710_100000204670 [0,0,0,1,0,0|2,0,1]=4 2159 B10R1.96 CCO[C@H]1CCN(C1)CC 34a_100011787710_100000210202 [0,0,0,1,0,0|2,0,1]=4 2160 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747405 [0,0,0,1,0,0|2,0,1]=4 2161 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210414_100000746382 [0,0,0,1,0,0|2,0,1]=4 2162 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [0,0,0,1,0,0|1,0,0]=2 2163 B10R1.134 CCC(C)CC(=O)C1CO1 1458a_100000701028_100000748023 [0,0,0,1,0,0|2,0,0]=3 2164 B10R1.134 CCC(C)CN(C)C1CC1 2230a_100000226674_100000748023 [0,0,0,1,0,0|3,0,0]=4 2165 B10R1.134 CCC(C)CN(C)C1CC1 269982a_100000226674_100000748023 [0,0,0,1,0,0|3,0,0]=4 2166 B10R1.134 CCC(C)CN(C)C1CC1 269982a_100000753921_100000211595 [0,0,0,1,0,0|3,0,0]=4 2167 B10R1.134 CCC(C)CN(C)C1CC1 270004a_100000226674_100000243153 [0,0,0,1,0,0|3,0,0]=4 2168 B10R1.134 CCC(C)NC(=O)C1CC1 11a_100000209981_100000210395 [0,0,0,1,0,0|2,0,0]=3 2169 B10R1.134 CCC(C)NC(=O)C1CC1 1626a_100000209981_100000210395 [0,0,0,1,0,0|2,0,0]=3 2170 B10R1.134 CCC(C)NC(=O)C1CC1 240690a_100000209981_100000210395 [0,0,0,1,0,0|2,0,0]=3 2171 B10R1.134 CCC(C)NC(=O)C1CC1 527a_100000209981_100000210395 [0,0,0,1,0,0|2,0,0]=3 2172 B10R1.134 CCC(C)NC(=O)C1CO1 11a_100000209981_100000701028 [0,0,0,1,0,0|3,0,0]=4 2173 B10R1.134 CCC(C)NC(=O)C1CO1 1626a_100000209981_100000701028 [0,0,0,1,0,0|3,0,0]=4 2174 B10R1.134 CCC(C)NC(=O)C1CO1 240690a_100000209981_100000701028 [0,0,0,1,0,0|3,0,0]=4 2175 B10R1.134 CCC(C)NC(=O)C1CO1 527a_100000209981_100000701028 [0,0,0,1,0,0|3,0,0]=4 2176 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [0,0,0,1,0,0|2,0,0]=3 2177 B10R1.134 CCC(O)CC(=O)C1CO1 1458a_100000701028_100011218378 [0,0,0,1,0,0|3,0,0]=4 2178 B10R1.134 CCN(C)CC(=O)C1CC1 2230a_100000225621_100000746382 [0,0,0,1,0,0|2,0,0]=3 2179 B10R1.134 CCN(C)CC(=O)C1CC1 269982a_100000225621_100000746382 [0,0,0,1,0,0|2,0,0]=3 2180 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [0,0,0,1,0,0|1,0,0]=2 2181 B10R1.134 CC[C@H](C)CC(=O)C1CO1 1458a_100000701028_100009816398 [0,0,0,1,0,0|2,0,0]=3 2182 B10R1.134 CC[C@H](C)CN(C)C1CC1 2230a_100000226674_100009816398 [0,0,0,1,0,0|3,0,0]=4 2183 B10R1.134 CC[C@H](C)CN(C)C1CC1 269982a_100000226674_100009816398 [0,0,0,1,0,0|3,0,0]=4 2184 B10R1.134 C[C@@H](CO)CC(=O)C1CC1 1458a_100000210395_100000059175 [0,0,0,1,0,0|2,0,0]=3 2185 B10R1.134 C[C@@H](CO)CC(=O)C1CO1 1458a_100000701028_100000059175 [0,0,0,1,0,0|3,0,0]=4 2186 B10R1.134 C[C@H](CF)NC(=O)C1CC1 11a_100102880703_100000210395 [0,0,0,1,0,0|3,0,0]=4 2187 B10R1.134 C[C@H](CF)NC(=O)C1CC1 1626a_100102880703_100000210395 [0,0,0,1,0,0|3,0,0]=4 2188 B10R1.134 C[C@H](CF)NC(=O)C1CC1 240690a_100102880703_100000210395 [0,0,0,1,0,0|3,0,0]=4 2189 B10R1.134 C[C@H](CF)NC(=O)C1CC1 527a_100102880703_100000210395 [0,0,0,1,0,0|3,0,0]=4 2190 B10R1.134 C[C@H](CO)NC(=O)C1CC1 240690a_100000737577_100000210395 [0,0,0,1,0,0|3,0,0]=4 2191 B10R1.134 C[C@H](CO)NC(=O)C1CC1 527a_100000737577_100000210395 [0,0,0,1,0,0|3,0,0]=4 2192 B10R1.135 C#CCC(=O)C1CC1CC 1458a_200011661523_100000184674 [0,0,0,1,0,0|1,0,2]=4 2193 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [0,0,0,1,0,0|1,0,2]=4 2194 B10R1.135 CCC1CC1C(=O)CC#N 1458a_200011661523_100011214920 [0,0,0,1,0,0|2,0,1]=4 2195 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,0,0,1,0,0|2,0,0]=3 2196 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,0,0,1,0,0|2,0,0]=3 2197 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [0,0,0,1,0,0|2,0,0]=3 2198 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,0,0,1,0,0|1,0,0]=2 2199 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [0,0,0,1,0,0|2,0,1]=4 2200 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,0,0,1,0,0|1,0,0]=2 2201 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,0,0,1,0,0|1,0,0]=2 2202 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,0,0,1,0,0|1,0,0]=2 2203 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 11a_100015525214_100015294237 [0,0,0,1,0,0|2,0,1]=4 2204 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100015525214_100015294237 [0,0,0,1,0,0|2,0,1]=4 2205 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [0,0,0,1,0,0|3,0,0]=4 2206 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [0,0,0,1,0,0|3,0,0]=4 2207 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 2208 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 2209 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 2210 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 2211 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100015525214_100015190264 [0,0,0,1,0,0|3,0,0]=4 2212 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100015525214 [0,0,0,1,0,0|3,0,0]=4 2213 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015525214_100015190264 [0,0,0,1,0,0|3,0,0]=4 2214 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100015525214_100015190264 [0,0,0,1,0,0|3,0,0]=4 2215 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 2708a_100015525214_100025746932 [0,0,0,1,0,0|3,0,0]=4 2216 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100015525214_100025746932 [0,0,0,1,0,0|3,0,0]=4 2217 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100015525214_100025746932 [0,0,0,1,0,0|3,0,0]=4 2218 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100015525214 [0,0,0,1,0,0|3,0,0]=4 2219 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100000763092_100000184674 [0,0,0,1,0,0|1,0,2]=4 2220 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100011220946_100000763275 [0,0,0,1,0,0|1,0,2]=4 2221 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [0,0,0,1,0,0|1,0,2]=4 2222 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [0,0,0,1,0,0|1,0,2]=4 2223 B10R1.137 C=COC(=O)CN1CCC1 269982a_100000754969_100000036128 [0,0,0,1,0,0|1,0,2]=4 2224 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [0,0,0,1,0,0|1,0,1]=3 2225 B10R1.137 CC#CC(=O)CC1CCO1 1458a_100000763181_100000103362 [0,0,0,1,0,0|2,0,1]=4 2226 B10R1.137 CC#CC(=O)CC1COC1 1458a_100000763181_100010264016 [0,0,0,1,0,0|2,0,1]=4 2227 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,0,0,1,0,0|1,0,1]=3 2228 B10R1.137 CC=CC(=O)CC1CCO1 1458a_100000210699_100000103362 [0,0,0,1,0,0|2,0,1]=4 2229 B10R1.137 CC=CC(=O)CC1COC1 1458a_100000210699_100010264016 [0,0,0,1,0,0|2,0,1]=4 2230 B10R1.137 CC=CC(=O)NC1CCC1 11a_100000749019_100000210699 [0,0,0,1,0,0|2,0,1]=4 2231 B10R1.137 CC=CC(=O)NC1CCC1 1626a_100000749019_100000210699 [0,0,0,1,0,0|2,0,1]=4 2232 B10R1.137 CC=CC(=O)NC1CCC1 240690a_100000749019_100000210699 [0,0,0,1,0,0|2,0,1]=4 2233 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [0,0,0,1,0,0|1,0,2]=4 2234 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,0,0,1,0,0|1,0,0]=2 2235 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,0,0,1,0,0|1,0,0]=2 2236 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,0,0,1,0,0|2,0,0]=3 2237 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,0,0,1,0,0|2,0,0]=3 2238 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,0,0,1,0,0|2,0,0]=3 2239 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,0,0,1,0,0|2,0,0]=3 2240 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [0,0,0,1,0,0|2,0,0]=3 2241 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [0,0,0,1,0,0|2,0,0]=3 2242 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [0,0,0,1,0,0|2,0,0]=3 2243 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [0,0,0,1,0,0|2,0,0]=3 2244 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [0,0,0,1,0,0|3,0,0]=4 2245 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [0,0,0,1,0,0|3,0,0]=4 2246 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [0,0,0,1,0,0|3,0,0]=4 2247 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [0,0,0,1,0,0|3,0,0]=4 2248 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [0,0,0,1,0,0|3,0,0]=4 2249 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [0,0,0,1,0,0|3,0,0]=4 2250 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [0,0,0,1,0,0|3,0,0]=4 2251 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [0,0,0,1,0,0|3,0,0]=4 2252 B10R1.137 CCCN(C)CC1CCC1 2230a_100000747261_100000763275 [0,0,0,1,0,0|3,0,0]=4 2253 B10R1.137 CCCN(C)CC1CCC1 2230a_200000750244_100000210303 [0,0,0,1,0,0|3,0,0]=4 2254 B10R1.137 CCCN(C)CC1CCC1 269982a_100000747261_100000763275 [0,0,0,1,0,0|3,0,0]=4 2255 B10R1.137 CCCN(C)CC1CCC1 269982a_200000750244_100000210303 [0,0,0,1,0,0|3,0,0]=4 2256 B10R1.137 CCCN(C)CC1CCC1 34a_200000750244_100000210303 [0,0,0,1,0,0|3,0,0]=4 2257 B10R1.137 CCNC(=O)C=C1CCC1 11a_100015525214_100000686340 [0,0,0,1,0,0|1,0,2]=4 2258 B10R1.137 CCNC(=O)C=C1CCC1 240690a_100015525214_100000686340 [0,0,0,1,0,0|1,0,2]=4 2259 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,0,0,1,0,0|1,0,0]=2 2260 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,0,0,1,0,0|1,0,0]=2 2261 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,0,0,1,0,0|1,0,0]=2 2262 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,0,0,1,0,0|2,0,0]=3 2263 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [0,0,0,1,0,0|2,0,0]=3 2264 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [0,0,0,1,0,0|2,0,0]=3 2265 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [0,0,0,1,0,0|2,0,0]=3 2266 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [0,0,0,1,0,0|2,0,0]=3 2267 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [0,0,0,1,0,0|2,0,0]=3 2268 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [0,0,0,1,0,0|2,0,0]=3 2269 B10R1.137 CCNC(=O)NC1COC1 2708a_100015525214_100016991112 [0,0,0,1,0,0|3,0,0]=4 2270 B10R1.137 CCNC(=O)NC1COC1 2708a_100016991112_100015525214 [0,0,0,1,0,0|3,0,0]=4 2271 B10R1.137 CCNC(=O)NC1COC1 273464a_100015525214_100016991112 [0,0,0,1,0,0|3,0,0]=4 2272 B10R1.137 CCNC(=O)NC1COC1 273464a_100016991112_100015525214 [0,0,0,1,0,0|3,0,0]=4 2273 B10R1.137 CCNC(=O)NC1COC1 512a_100015525214_100016991112 [0,0,0,1,0,0|3,0,0]=4 2274 B10R1.137 CCNC(=O)NC1COC1 512a_100016991112_100015525214 [0,0,0,1,0,0|3,0,0]=4 2275 B10R1.137 CCNC(=O)NC1CSC1 2708a_100015525214_100016994217 [0,0,0,1,0,0|3,0,0]=4 2276 B10R1.137 CCNC(=O)NC1CSC1 2708a_100016994217_100015525214 [0,0,0,1,0,0|3,0,0]=4 2277 B10R1.137 CCNC(=O)NC1CSC1 273464a_100015525214_100016994217 [0,0,0,1,0,0|3,0,0]=4 2278 B10R1.137 CCNC(=O)NC1CSC1 273464a_100016994217_100015525214 [0,0,0,1,0,0|3,0,0]=4 2279 B10R1.137 CCNC(=O)NC1CSC1 512a_100015525214_100016994217 [0,0,0,1,0,0|3,0,0]=4 2280 B10R1.137 CCNC(=O)NC1CSC1 512a_100016994217_100015525214 [0,0,0,1,0,0|3,0,0]=4 2281 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,0,0,1,0,0|1,0,0]=2 2282 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [0,0,0,1,0,0|2,0,0]=3 2283 B10R1.137 CNNC(=O)CC1COC1 22a_100016993582_100000687760 [0,0,0,1,0,0|3,0,0]=4 2284 B10R1.137 CNNC(=O)NC1CCC1 273464a_100000749019_100016993582 [0,0,0,1,0,0|3,0,0]=4 2285 B10R1.137 CNNC(=O)NC1CCC1 512a_100000749019_100016993582 [0,0,0,1,0,0|3,0,0]=4 2286 B10R1.137 CNNC(=O)NC1CCC1 512a_100016993582_100000749019 [0,0,0,1,0,0|3,0,0]=4 2287 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,0,0,1,0,0|2,0,0]=3 2288 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,0,0,1,0,0|3,0,0]=4 2289 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [0,0,0,1,0,0|3,0,0]=4 2290 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [0,0,0,1,0,0|3,0,0]=4 2291 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [0,0,0,1,0,0|3,0,0]=4 2292 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [0,0,0,1,0,0|3,0,0]=4 2293 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [0,0,0,1,0,0|3,0,0]=4 2294 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,0,0,1,0,0|2,0,0]=3 2295 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [0,0,0,1,0,0|3,0,0]=4 2296 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [0,0,0,1,0,0|3,0,0]=4 2297 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [0,0,0,1,0,0|3,0,0]=4 2298 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [0,0,0,1,0,0|3,0,0]=4 2299 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [0,0,0,1,0,0|3,0,0]=4 2300 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [0,0,0,1,0,0|3,0,0]=4 2301 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100000763092_100011214920 [0,0,0,1,0,0|2,0,1]=4 2302 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100051588842_100000763275 [0,0,0,1,0,0|2,0,1]=4 2303 B10R1.137 O=C(C=CBr)CC1CCC1 1458a_100016273825_100000763275 [0,0,0,1,0,0|2,0,1]=4 2304 B10R1.137 O=C(C=CCl)CC1CCC1 1458a_200016279998_100000763275 [0,0,0,1,0,0|2,0,1]=4 2305 B10R1.137 O=C(C=CI)CC1CCC1 1458a_100016256311_100000763275 [0,0,0,1,0,0|2,0,1]=4 2306 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,0,0,1,0,0|2,0,0]=3 2307 B10R1.137 O=C(CCF)CC1COC1 1458a_100000687760_100011217306 [0,0,0,1,0,0|3,0,0]=4 2308 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,0,0,1,0,0|2,0,0]=3 2309 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,0,0,1,0,0|2,0,0]=3 2310 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [0,0,0,1,0,0|3,0,0]=4 2311 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [0,0,0,1,0,0|3,0,0]=4 2312 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [0,0,0,1,0,0|3,0,0]=4 2313 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [0,0,0,1,0,0|3,0,0]=4 2314 B10R1.137 O=C(CN1CCC1)NCO 269982a_100000754969_100000185155 [0,0,0,1,0,0|3,0,0]=4 2315 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [0,0,0,1,0,0|3,0,0]=4 2316 B10R1.139 CC=CC(=O)N1CCC1C 11a_100000755817_100000210699 [0,0,0,1,0,0|2,0,1]=4 2317 B10R1.139 CC=CC(=O)N1CCC1C 240690a_100000755817_100000210699 [0,0,0,1,0,0|2,0,1]=4 2318 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,0,0,1,0,0|2,0,1]=4 2319 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,0,0,1,0,0|2,0,0]=3 2320 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,0,0,1,0,0|2,0,0]=3 2321 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,0,0,1,0,0|2,0,0]=3 2322 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,0,0,1,0,0|2,0,0]=3 2323 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,0,0,1,0,0|2,0,0]=3 2324 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,0,0,1,0,0|3,0,0]=4 2325 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,0,0,1,0,0|3,0,0]=4 2326 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,0,0,1,0,0|3,0,0]=4 2327 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [0,0,0,1,0,0|3,0,0]=4 2328 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [0,0,0,1,0,0|3,0,0]=4 2329 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [0,0,0,1,0,0|3,0,0]=4 2330 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,0,0,1,0,0|2,0,1]=4 2331 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,0,0,1,0,0|1,0,1]=3 2332 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [0,0,0,1,0,0|2,0,0]=3 2333 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [0,0,0,1,0,0|2,0,0]=3 2334 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,0,0,1,0,0|1,0,0]=2 2335 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,0,0,1,0,0|1,0,0]=2 2336 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [0,0,0,1,0,0|2,0,1]=4 2337 B10R1.150 CCC(C)CN1CC(C1)C 2230a_100000702820_100000748023 [0,0,0,1,0,0|3,0,0]=4 2338 B10R1.150 CCC(C)CN1CC(C1)C 269982a_100000702820_100000748023 [0,0,0,1,0,0|3,0,0]=4 2339 B10R1.150 CCC(C)CN1CC(C1)C 270004a_100000702820_100000243153 [0,0,0,1,0,0|3,0,0]=4 2340 B10R1.150 CCC(C)CN1CC(C1)C 34a_100000702820_100000748023 [0,0,0,1,0,0|3,0,0]=4 2341 B10R1.150 CC[C@H](C)CN1CC(C1)C 2230a_100000702820_100009816398 [0,0,0,1,0,0|3,0,0]=4 2342 B10R1.150 CC[C@H](C)CN1CC(C1)C 269982a_100000702820_100009816398 [0,0,0,1,0,0|3,0,0]=4 2343 B10R1.150 CC[C@H](C)CN1CC(C1)C 34a_100000702820_100009816398 [0,0,0,1,0,0|3,0,0]=4 2344 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,0,0,1,0,0|2,0,0]=3 2345 B10R1.181 C#CCC(=O)CC1(CC1)C 1458a_100000112800_100000184674 [0,0,0,1,0,0|1,0,2]=4 2346 B10R1.181 C=CCC(=O)CC1(CC1)C 1458a_100000112800_100000210623 [0,0,0,1,0,0|1,0,2]=4 2347 B10R1.181 CC#CC(=O)CC1(CO1)C 1458a_100000763181_100000760498 [0,0,0,1,0,0|2,0,1]=4 2348 B10R1.181 CC1(CC1)CC(=O)CC#N 1458a_100000112800_100011214920 [0,0,0,1,0,0|2,0,1]=4 2349 B10R1.181 CC1(CC1)CC(=O)CCF 1458a_100000112800_100011217306 [0,0,0,1,0,0|2,0,0]=3 2350 B10R1.181 CC1(CC1)CC(=O)CCO 1458a_100000112800_100000211926 [0,0,0,1,0,0|2,0,0]=3 2351 B10R1.181 CC1(CC1)NC(=O)CCO 240690a_100000757604_100011216618 [0,0,0,1,0,0|3,0,0]=4 2352 B10R1.181 CC1(CO1)CC(=O)CCO 1458a_100011216618_100000760498 [0,0,0,1,0,0|3,0,0]=4 2353 B10R1.181 CC=CC(=O)CC1(CO1)C 1458a_100000210699_100000760498 [0,0,0,1,0,0|2,0,1]=4 2354 B10R1.181 CC=CC(=O)NC1(CC1)C 11a_100000757604_100000210699 [0,0,0,1,0,0|2,0,1]=4 2355 B10R1.181 CC=CC(=O)NC1(CC1)C 1626a_100000757604_100000210699 [0,0,0,1,0,0|2,0,1]=4 2356 B10R1.181 CC=CC(=O)NC1(CC1)C 240690a_100000757604_100000210699 [0,0,0,1,0,0|2,0,1]=4 2357 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [0,0,0,1,0,0|1,0,0]=2 2358 B10R1.181 CCCC(=O)CC1(CO1)C 1458a_100000211992_100000760498 [0,0,0,1,0,0|2,0,0]=3 2359 B10R1.181 CCCC(=O)NC1(CC1)C 11a_100000757604_100000211992 [0,0,0,1,0,0|2,0,0]=3 2360 B10R1.181 CCCC(=O)NC1(CC1)C 1626a_100000757604_100000211992 [0,0,0,1,0,0|2,0,0]=3 2361 B10R1.181 CCCC(=O)NC1(CC1)C 240690a_100000757604_100000211992 [0,0,0,1,0,0|2,0,0]=3 2362 B10R1.181 CCCC(=O)NC1(CC1)C 527a_100000757604_100000211992 [0,0,0,1,0,0|2,0,0]=3 2363 B10R1.181 CCNC(=O)CC1(CC1)C 11a_100015525214_100000112800 [0,0,0,1,0,0|1,0,0]=2 2364 B10R1.181 CCNC(=O)CC1(CC1)C 240690a_100015525214_100000112800 [0,0,0,1,0,0|1,0,0]=2 2365 B10R1.181 CCNC(=O)CC1(CC1)C 527a_100015525214_100000112800 [0,0,0,1,0,0|1,0,0]=2 2366 B10R1.181 CCNC(=O)NC1(CC1)C 2708a_100015525214_100000757604 [0,0,0,1,0,0|2,0,0]=3 2367 B10R1.181 CCNC(=O)NC1(CC1)C 273464a_100000757604_100015525214 [0,0,0,1,0,0|2,0,0]=3 2368 B10R1.181 CCNC(=O)NC1(CC1)C 273464a_100015525214_100000757604 [0,0,0,1,0,0|2,0,0]=3 2369 B10R1.181 CCNC(=O)NC1(CC1)C 512a_100000757604_100015525214 [0,0,0,1,0,0|2,0,0]=3 2370 B10R1.181 CNNC(=O)CC1(CC1)C 22a_100016993582_100000112800 [0,0,0,1,0,0|2,0,0]=3 2371 B10R1.181 CNNC(=O)NC1(CC1)C 273464a_100000757604_100016993582 [0,0,0,1,0,0|3,0,0]=4 2372 B10R1.181 CNNC(=O)NC1(CC1)C 512a_100000757604_100016993582 [0,0,0,1,0,0|3,0,0]=4 2373 B10R1.181 COCC(=O)CC1(CO1)C 1458a_100000210968_100000760498 [0,0,0,1,0,0|3,0,0]=4 2374 B10R1.181 COCC(=O)NC1(CC1)C 11a_100000757604_100000210968 [0,0,0,1,0,0|3,0,0]=4 2375 B10R1.181 COCC(=O)NC1(CC1)C 1626a_100000757604_100000210968 [0,0,0,1,0,0|3,0,0]=4 2376 B10R1.181 COCC(=O)NC1(CC1)C 240690a_100000757604_100000210968 [0,0,0,1,0,0|3,0,0]=4 2377 B10R1.181 COCC(=O)NC1(CC1)C 527a_100000757604_100000210968 [0,0,0,1,0,0|3,0,0]=4 2378 B10R1.181 CSCC(=O)CC1(CO1)C 1458a_100000184570_100000760498 [0,0,0,1,0,0|3,0,0]=4 2379 B10R1.181 CSCC(=O)NC1(CC1)C 11a_100000757604_100000184570 [0,0,0,1,0,0|3,0,0]=4 2380 B10R1.181 CSCC(=O)NC1(CC1)C 1626a_100000757604_100000184570 [0,0,0,1,0,0|3,0,0]=4 2381 B10R1.181 CSCC(=O)NC1(CC1)C 240690a_100000757604_100000184570 [0,0,0,1,0,0|3,0,0]=4 2382 B10R1.181 CSCC(=O)NC1(CC1)C 527a_100000757604_100000184570 [0,0,0,1,0,0|3,0,0]=4 2383 B10R1.485 CCC1(CCCN(C1)C)C 2230a_100000756310_200000210301 [0,0,0,1,0,0|3,0,0]=4 2384 B10R1.485 CCC1(CCCN(C1)C)C 269982a_100000756310_200000210301 [0,0,0,1,0,0|3,0,0]=4 2385 B10R1.485 CCC1(CCCN(C1)[13CH3])C 2230a_100000756310_200025704644 [0,0,0,1,0,0|3,0,0]=4 2386 B10R1.485 CCC1(CCCN(C1)[13CH3])C 269982a_100000756310_200025704644 [0,0,0,1,0,0|3,0,0]=4 2387 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,0,0,0,1,0|1,0,2]=4 2388 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,0,0,0,1,0|1,0,2]=4 2389 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,0,0,0,1,0|1,0,2]=4 2390 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,0,0,0,1,0|1,0,2]=4 2391 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,0,0,0,1,0|1,0,2]=4 2392 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,0,0,0,1,0|1,0,2]=4 2393 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,0,0,0,1,0|1,0,2]=4 2394 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,0,0,0,1,0|1,0,2]=4 2395 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,0,0,0,1,0|1,0,2]=4 2396 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,0,0,0,1,0|1,0,2]=4 2397 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,0,0,0,1,0|1,0,2]=4 2398 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,0,0,0,1,0|1,0,1]=3 2399 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,0,0,0,1,0|1,0,1]=3 2400 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,0,0,0,1,0|2,0,1]=4 2401 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,0,0,0,1,0|2,0,1]=4 2402 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,0,0,0,1,0|2,0,1]=4 2403 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,0,0,0,1,0|2,0,1]=4 2404 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,0,0,0,1,0|2,0,1]=4 2405 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,0,0,0,1,0|2,0,1]=4 2406 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,0,0,0,1,0|2,0,1]=4 2407 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,0,0,0,1,0|2,0,1]=4 2408 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,0,0,0,1,0|2,0,0]=3 2409 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,0,0,0,1,0|2,0,0]=3 2410 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,0,0,0,1,0|2,0,0]=3 2411 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,0,0,0,1,0|2,0,0]=3 2412 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,0,0,0,1,0|2,0,0]=3 2413 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,0,0,0,1,0|2,0,0]=3 2414 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,0,0,0,1,0|2,0,1]=4 2415 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,0,0,0,1,0|3,0,0]=4 2416 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,0,0,0,1,0|3,0,0]=4 2417 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,0,0,0,1,0|3,0,0]=4 2418 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,0,0,0,1,0|2,0,1]=4 2419 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,0,0,0,1,0|2,0,1]=4 2420 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,0,0,0,1,0|1,0,0]=2 2421 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,0,0,0,1,0|1,0,0]=2 2422 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,0,0,0,1,0|2,0,0]=3 2423 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,0,0,0,1,0|2,0,0]=3 2424 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,0,0,0,1,0|2,0,0]=3 2425 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,0,0,0,1,0|3,0,0]=4 2426 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,0,0,0,1,0|2,0,0]=3 2427 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,0,0,0,1,0|2,0,0]=3 2428 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,0,0,0,1,0|2,0,0]=3 2429 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,0,0,0,1,0|2,0,0]=3 2430 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,0,0,0,1,0|3,0,0]=4 2431 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,0,0,0,1,0|3,0,0]=4 2432 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,0,0,0,1,0|3,0,0]=4 2433 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,0,0,0,1,0|3,0,0]=4 2434 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,0,0,0,1,0|3,0,0]=4 2435 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,0,0,0,1,0|3,0,0]=4 2436 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,0,0,0,1,0|3,0,0]=4 2437 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,0,0,0,1,0|3,0,0]=4 2438 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,0,0,0,1,0|3,0,0]=4 2439 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,0,0,0,1,0|3,0,0]=4 2440 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,0,0,0,1,0|3,0,0]=4 2441 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,0,0,0,1,0|3,0,0]=4 2442 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,0,0,0,1,0|3,0,0]=4 2443 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,0,0,0,1,0|3,0,0]=4 2444 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,0,0,0,1,0|3,0,0]=4 2445 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,0,0,0,1,0|3,0,0]=4 2446 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,0,0,0,1,0|3,0,0]=4 2447 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,0,0,0,1,0|3,0,0]=4 2448 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,0,0,0,1,0|3,0,0]=4 2449 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,0,0,0,1,0|3,0,0]=4 2450 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,0,0,0,1,0|3,0,0]=4 2451 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,0,0,0,1,0|3,0,0]=4 2452 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,0,0,0,1,0|3,0,0]=4 2453 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,0,0,0,1,0|3,0,0]=4 2454 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,0,0,0,1,0|3,0,0]=4 2455 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,0,0,0,1,0|2,0,1]=4 2456 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,0,0,0,1,0|2,0,1]=4 2457 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,0,0,0,1,0|2,0,1]=4 2458 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,0,0,0,1,0|2,0,1]=4 2459 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,0,0,0,1,0|1,0,0]=2 2460 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,0,0,0,1,0|1,0,0]=2 2461 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,0,0,0,1,0|1,0,0]=2 2462 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,0,0,0,1,0|2,0,0]=3 2463 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,0,0,0,1,0|2,0,0]=3 2464 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,0,0,0,1,0|2,0,0]=3 2465 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,0,0,0,1,0|2,0,0]=3 2466 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,0,0,0,1,0|2,0,0]=3 2467 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,0,0,0,1,0|2,0,0]=3 2468 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,0,0,0,1,0|2,0,0]=3 2469 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,0,0,0,1,0|2,0,0]=3 2470 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,0,0,0,1,0|2,0,0]=3 2471 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,0,0,0,1,0|2,0,0]=3 2472 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,0,0,0,1,0|2,0,0]=3 2473 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,0,0,0,1,0|2,0,0]=3 2474 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,0,0,0,1,0|2,0,0]=3 2475 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,0,0,0,1,0|2,0,0]=3 2476 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,0,0,0,1,0|2,0,0]=3 2477 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,0,0,0,1,0|2,0,0]=3 2478 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,0,0,0,1,0|2,0,0]=3 2479 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,0,0,0,1,0|2,0,0]=3 2480 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,0,0,0,1,0|2,0,0]=3 2481 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,0,0,0,1,0|3,0,0]=4 2482 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,0,0,0,1,0|2,0,0]=3 2483 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,0,0,0,1,0|2,0,0]=3 2484 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,0,0,0,1,0|2,0,1]=4 2485 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,0,0,0,1,0|2,0,1]=4 2486 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,0,0,0,1,0|2,0,1]=4 2487 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,0,0,0,1,0|2,0,1]=4 2488 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,0,0,0,1,0|2,0,1]=4 2489 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,0,0,0,1,0|1,0,0]=2 2490 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,0,0,0,1,0|1,0,0]=2 2491 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,0,0,0,1,0|1,0,0]=2 2492 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,0,0,0,1,0|1,0,0]=2 2493 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,0,0,0,1,0|1,0,0]=2 2494 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,0,0,0,1,0|1,0,0]=2 2495 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,0,0,0,1,0|1,0,0]=2 2496 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,0,0,0,1,0|1,0,0]=2 2497 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,0,0,0,1,0|2,0,0]=3 2498 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,0,0,0,1,0|2,0,0]=3 2499 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,0,0,0,1,0|2,0,0]=3 2500 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,0,0,0,1,0|2,0,0]=3 2501 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,0,0,0,1,0|2,0,0]=3 2502 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,0,0,0,1,0|2,0,0]=3 2503 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,0,0,0,1,0|2,0,0]=3 2504 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,0,0,0,1,0|2,0,0]=3 2505 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,0,0,0,1,0|1,0,0]=2 2506 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,0,0,0,1,0|1,0,0]=2 2507 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,0,0,0,1,0|1,0,1]=3 2508 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,0,0,0,1,0|1,1,0]=3 2509 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,0,0,0,1,0|1,1,0]=3 2510 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,0,0,0,1,0|3,0,0]=4 2511 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,0,0,0,1,0|3,0,0]=4 2512 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,0,0,0,1,0|3,0,0]=4 2513 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,0,0,0,1,0|3,0,0]=4 2514 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,0,0,0,1,0|3,0,0]=4 2515 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,0,0,0,1,0|3,0,0]=4 2516 B10R0.108 C#CC(C)NCC(=O)CCC 2230a_100000707721_100000747444 [0,0,0,0,0,1|1,0,2]=4 2517 B10R0.108 C#CC(C)NCC(=O)NCC 2230a_100000707721_100000183381 [0,0,0,0,0,1|1,0,2]=4 2518 B10R0.108 C#CC(C)NCC(=O)NCC 34a_100000707721_100000183381 [0,0,0,0,0,1|1,0,2]=4 2519 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,0,0,0,0,1|0,0,2]=3 2520 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,0,0,0,0,1|0,0,2]=3 2521 B10R0.108 C#CC(C)SCC(=O)CCC 62a_200000035995_100000747444 [0,0,0,0,0,1|1,0,2]=4 2522 B10R0.108 C#CC(C)SCC(=O)NCC 62a_200000035995_100000183381 [0,0,0,0,0,1|1,0,2]=4 2523 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,0,0,0,0,1|0,0,2]=3 2524 B10R0.108 C#CCC(=O)CCC(C)CC 1458a_100000701222_100000184674 [0,0,0,0,0,1|1,0,2]=4 2525 B10R0.108 C#CCC(=O)NCC(C)CC 1626a_100020588543_100011220946 [0,0,0,0,0,1|1,0,2]=4 2526 B10R0.108 C#CCC(=O)NCC(C)CC 527a_100020588543_100011220946 [0,0,0,0,0,1|1,0,2]=4 2527 B10R0.108 C#C[C@@H](C)OCC(=O)CCC 7a_100009815206_100000747444 [0,0,0,0,0,1|1,0,2]=4 2528 B10R0.108 C#C[C@@H](C)OCC(=O)NCC 34a_100009815206_100000183381 [0,0,0,0,0,1|1,0,2]=4 2529 B10R0.108 C#C[C@@H](C)OCC(=O)NCC 7a_100009815206_100000183381 [0,0,0,0,0,1|1,0,2]=4 2530 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,0,0,0,0,1|0,0,2]=3 2531 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,0,0,0,0,1|0,0,2]=3 2532 B10R0.108 C=CC(C)OCC(=O)NCC 34a_100000695699_100000183381 [0,0,0,0,0,1|1,0,2]=4 2533 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,0,0,0,0,1|0,0,2]=3 2534 B10R0.108 C=CC(C)SCC(=O)CCC 62a_100011215867_100000747444 [0,0,0,0,0,1|1,0,2]=4 2535 B10R0.108 C=CC(C)SCC(=O)NCC 62a_100011215867_100000183381 [0,0,0,0,0,1|1,0,2]=4 2536 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,0,0,0,0,1|0,0,2]=3 2537 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,0,0,0,0,1|1,0,2]=4 2538 B10R0.108 C=CCC(=O)NCC(C)CC 11a_100020588543_100000210193 [0,0,0,0,0,1|1,0,2]=4 2539 B10R0.108 C=CCC(=O)NCC(C)CC 1626a_100020588543_100000210193 [0,0,0,0,0,1|1,0,2]=4 2540 B10R0.108 C=CCC(=O)NCC(C)CC 240690a_100020588543_100000210193 [0,0,0,0,0,1|1,0,2]=4 2541 B10R0.108 C=CCC(=O)NCC(C)CC 527a_100020588543_100000210193 [0,0,0,0,0,1|1,0,2]=4 2542 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,0,0,0,0,1|0,0,2]=3 2543 B10R0.108 C=COC(=O)CN[C@H](C)CO 2230a_100000737577_100000036128 [0,0,0,0,0,1|1,0,2]=4 2544 B10R0.108 C=COC(=O)COC(C)CF 34a_100016041109_100000036128 [0,0,0,0,0,1|1,0,2]=4 2545 B10R0.108 C=COC(=O)COC(C)CN 34a_100000210904_100000036128 [0,0,0,0,0,1|1,0,2]=4 2546 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,0,0,0,0,1|0,0,2]=3 2547 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,0,0,0,0,1|0,0,2]=3 2548 B10R0.108 C=COC(=O)CSC(C)CO 62a_100012180447_100000036128 [0,0,0,0,0,1|1,0,2]=4 2549 B10R0.108 C=COC(=O)CSC(C)OC 62a_100000036128_100009879195 [0,0,0,0,0,1|1,0,2]=4 2550 B10R0.108 C=COC(=O)CSC(C)OC 62a_100009879195_100000036128 [0,0,0,0,0,1|1,0,2]=4 2551 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100000036128_100016084084 [0,0,0,0,0,1|1,0,2]=4 2552 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100016084084_100000036128 [0,0,0,0,0,1|1,0,2]=4 2553 B10R0.108 CC#CC(=O)NNC(C)CC 22a_100000718999_100000763181 [0,0,0,0,0,1|2,0,1]=4 2554 B10R0.108 CC(CF)OCC(=O)NCO 34a_100016041109_100000185155 [0,0,0,0,0,1|3,0,0]=4 2555 B10R0.108 CC(CF)OCC(=O)NCO 7a_100016041109_100000185155 [0,0,0,0,0,1|3,0,0]=4 2556 B10R0.108 CC(CN)OCC(=O)NCO 34a_100000210904_100000185155 [0,0,0,0,0,1|3,0,0]=4 2557 B10R0.108 CC(CO)CNC(=O)CCO 240690a_100000744482_100011216618 [0,0,0,0,0,1|3,0,0]=4 2558 B10R0.108 CC(CO)SCC(=O)NCO 62a_100012180447_100000185155 [0,0,0,0,0,1|3,0,0]=4 2559 B10R0.108 CC=CC(=O)NCC(C)CC 11a_100020588543_100000210699 [0,0,0,0,0,1|1,0,1]=3 2560 B10R0.108 CC=CC(=O)NCC(C)CC 1626a_100020588543_100000210699 [0,0,0,0,0,1|1,0,1]=3 2561 B10R0.108 CC=CC(=O)NCC(C)CC 240690a_100020588543_100000210699 [0,0,0,0,0,1|1,0,1]=3 2562 B10R0.108 CC=CC(=O)NCC(C)CO 240690a_100000744482_100000210699 [0,0,0,0,0,1|2,0,1]=4 2563 B10R0.108 CC=CC(=O)NCC(O)CC 11a_100011218483_100000210699 [0,0,0,0,0,1|2,0,1]=4 2564 B10R0.108 CC=CC(=O)NCC(O)CC 240690a_100011218483_100000210699 [0,0,0,0,0,1|2,0,1]=4 2565 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 11a_100020591295_100000210699 [0,0,0,0,0,1|2,0,1]=4 2566 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210699 [0,0,0,0,0,1|2,0,1]=4 2567 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210699 [0,0,0,0,0,1|2,0,1]=4 2568 B10R0.108 CC=CC(=O)NNC(C)CC 22a_100000718999_100000210699 [0,0,0,0,0,1|2,0,1]=4 2569 B10R0.108 CCC(C)CCC(=O)CC#N 1458a_100000701222_100011214920 [0,0,0,0,0,1|2,0,1]=4 2570 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,0,0,0,0,1|2,0,0]=3 2571 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,0,0,0,0,1|2,0,0]=3 2572 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,0,0,0,0,1|2,0,0]=3 2573 B10R0.108 CCC(C)CCC(C)OCF 7a_200011216552_100015361967 [0,0,0,0,0,1|2,0,1]=4 2574 B10R0.108 CCC(C)CNC(=O)C=CBr 1626a_100020588543_100016273825 [0,0,0,0,0,1|2,0,1]=4 2575 B10R0.108 CCC(C)CNC(=O)C=CBr 240690a_100020588543_100016273825 [0,0,0,0,0,1|2,0,1]=4 2576 B10R0.108 CCC(C)CNC(=O)C=CCl 11a_100020588543_200016279998 [0,0,0,0,0,1|2,0,1]=4 2577 B10R0.108 CCC(C)CNC(=O)C=CCl 1626a_100020588543_200016279998 [0,0,0,0,0,1|2,0,1]=4 2578 B10R0.108 CCC(C)CNC(=O)C=CCl 240690a_100020588543_200016279998 [0,0,0,0,0,1|2,0,1]=4 2579 B10R0.108 CCC(C)CNC(=O)C=CI 1626a_100020588543_100016256311 [0,0,0,0,0,1|2,0,1]=4 2580 B10R0.108 CCC(C)CNC(=O)CC#N 1626a_100020588543_100051588842 [0,0,0,0,0,1|2,0,1]=4 2581 B10R0.108 CCC(C)CNC(=O)CC#N 240690a_100020588543_100051588842 [0,0,0,0,0,1|2,0,1]=4 2582 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,0,0,0,0,1|2,0,0]=3 2583 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,0,0,0,0,1|2,0,0]=3 2584 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,0,0,0,0,1|2,0,0]=3 2585 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,0,0,0,0,1|2,0,0]=3 2586 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,0,0,0,0,1|2,0,0]=3 2587 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [0,0,0,0,0,1|2,0,0]=3 2588 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [0,0,0,0,0,1|2,0,0]=3 2589 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [0,0,0,0,0,1|2,0,0]=3 2590 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [0,0,0,0,0,1|2,0,0]=3 2591 B10R0.108 CCC(C)CNC(=O)NNC 273464a_100020588543_100016993582 [0,0,0,0,0,1|2,0,0]=3 2592 B10R0.108 CCC(C)CNC(=O)NNC 512a_100016993582_100020588543 [0,0,0,0,0,1|2,0,0]=3 2593 B10R0.108 CCC(C)CNC(=O)NNC 512a_100020588543_100016993582 [0,0,0,0,0,1|2,0,0]=3 2594 B10R0.108 CCC(C)NCC(=O)NCO 2230a_100000209981_100000185155 [0,0,0,0,0,1|2,0,0]=3 2595 B10R0.108 CCC(C)NNC(=O)CCO 22a_100000718999_100011216618 [0,0,0,0,0,1|3,0,0]=4 2596 B10R0.108 CCC(C)NNC(=O)COC 22a_100000718999_100000210968 [0,0,0,0,0,1|3,0,0]=4 2597 B10R0.108 CCC(C)NNC(=O)CSC 22a_100000718999_100000184570 [0,0,0,0,0,1|3,0,0]=4 2598 B10R0.108 CCC(C)NNC(=O)NNC 512a_100000718999_100016993582 [0,0,0,0,0,1|3,0,0]=4 2599 B10R0.108 CCC(C)NNC(=O)NNC 512a_100016993582_100000718999 [0,0,0,0,0,1|3,0,0]=4 2600 B10R0.108 CCC(C)OCC(=O)NCO 7a_100000210228_100000185155 [0,0,0,0,0,1|2,0,0]=3 2601 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000185155_100000758301 [0,0,0,0,0,1|2,0,0]=3 2602 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000758301_100000185155 [0,0,0,0,0,1|2,0,0]=3 2603 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,0,0,0,0,1|3,0,0]=4 2604 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,0,0,0,0,1|3,0,0]=4 2605 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,0,0,0,0,1|3,0,0]=4 2606 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,0,0,0,0,1|3,0,0]=4 2607 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,0,0,0,0,1|3,0,0]=4 2608 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [0,0,0,0,0,1|3,0,0]=4 2609 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [0,0,0,0,0,1|3,0,0]=4 2610 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [0,0,0,0,0,1|3,0,0]=4 2611 B10R0.108 CCC(O)CNC(=O)NNC 273464a_100011218483_100016993582 [0,0,0,0,0,1|3,0,0]=4 2612 B10R0.108 CCC(O)CNC(=O)NNC 512a_100011218483_100016993582 [0,0,0,0,0,1|3,0,0]=4 2613 B10R0.108 CCCC(=NNC(C)CC)C 4a_100000718999_100000211909 [0,0,0,0,0,1|3,0,0]=4 2614 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,0,0,0,0,1|1,0,0]=2 2615 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,0,0,0,0,1|2,0,0]=3 2616 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,0,0,0,0,1|3,0,0]=4 2617 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,0,0,0,0,1|2,0,1]=4 2618 B10R0.108 CCCC(=O)CNC(C)C#N 2230a_100000737613_100000747444 [0,0,0,0,0,1|2,0,1]=4 2619 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,0,0,0,0,1|1,0,0]=2 2620 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,0,0,0,0,1|2,0,0]=3 2621 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,0,0,0,0,1|1,0,0]=2 2622 B10R0.108 CCCC(=O)COC(C)CF 7a_100016041109_100000747444 [0,0,0,0,0,1|2,0,0]=3 2623 B10R0.108 CCCC(=O)CSC(C)C#N 62a_100000703298_100000747444 [0,0,0,0,0,1|2,0,1]=4 2624 B10R0.108 CCCC(=O)CSC(C)C#N 62a_100000747444_100000703298 [0,0,0,0,0,1|2,0,1]=4 2625 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,0,0,0,0,1|1,0,0]=2 2626 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,0,0,0,0,1|1,0,0]=2 2627 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,0,0,0,0,1|2,0,0]=3 2628 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [0,0,0,0,0,1|2,0,0]=3 2629 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [0,0,0,0,0,1|2,0,0]=3 2630 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,0,0,0,0,1|2,0,0]=3 2631 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,0,0,0,0,1|2,0,0]=3 2632 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,0,0,0,0,1|1,0,0]=2 2633 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,0,0,0,0,1|1,0,0]=2 2634 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,0,0,0,0,1|1,0,0]=2 2635 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,0,0,0,0,1|1,0,0]=2 2636 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,0,0,0,0,1|2,0,0]=3 2637 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,0,0,0,0,1|2,0,0]=3 2638 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,0,0,0,0,1|2,0,0]=3 2639 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,0,0,0,0,1|2,0,0]=3 2640 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,0,0,0,0,1|2,0,0]=3 2641 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,0,0,0,0,1|2,0,0]=3 2642 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,0,0,0,0,1|2,0,0]=3 2643 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,0,0,0,0,1|2,0,0]=3 2644 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,0,0,0,0,1|2,0,0]=3 2645 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [0,0,0,0,0,1|3,0,0]=4 2646 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [0,0,0,0,0,1|3,0,0]=4 2647 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,0,0,0,0,1|3,0,0]=4 2648 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,0,0,0,0,1|3,0,0]=4 2649 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [0,0,0,0,0,1|2,0,0]=3 2650 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,0,0,0,0,1|2,0,1]=4 2651 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [0,0,0,0,0,1|2,0,0]=3 2652 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [0,0,0,0,0,1|2,0,0]=3 2653 B10R0.108 CCCC(C)CNC(C)CC 2230a_100000209981_100011216630 [0,0,0,0,0,1|2,0,1]=4 2654 B10R0.108 CCCC(C)CNC(C)CC 270004a_100000209981_100000243154 [0,0,0,0,0,1|2,0,1]=4 2655 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [0,0,0,0,0,1|2,0,1]=4 2656 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [0,0,0,0,0,1|2,0,1]=4 2657 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [0,0,0,0,0,1|2,0,1]=4 2658 B10R0.108 CCCC(C)CSC(C)CC 62a_100000758301_100011216630 [0,0,0,0,0,1|2,0,1]=4 2659 B10R0.108 CCCC(C)CSC(C)CC 62a_100011216630_100000758301 [0,0,0,0,0,1|2,0,1]=4 2660 B10R0.108 CCCC(C)NCC(C)CC 2230a_100000741246_100000748023 [0,0,0,0,0,1|2,0,1]=4 2661 B10R0.108 CCCC(C)NCC(C)CC 2230a_100020588543_100000766640 [0,0,0,0,0,1|2,0,1]=4 2662 B10R0.108 CCCC(C)NCC(C)CC 270004a_100000741246_100000243153 [0,0,0,0,0,1|2,0,1]=4 2663 B10R0.108 CCCC(C)NCC(C)CC 270004a_100020588543_100000211909 [0,0,0,0,0,1|2,0,1]=4 2664 B10R0.108 CCCC(C)NC[C@@H](C)CC 2230a_100000741246_100009816398 [0,0,0,0,0,1|2,0,1]=4 2665 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [0,0,0,0,0,1|2,0,1]=4 2666 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [0,0,0,0,0,1|2,0,1]=4 2667 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [0,0,0,0,0,1|2,0,1]=4 2668 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [0,0,0,0,0,1|2,0,1]=4 2669 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [0,0,0,0,0,1|2,0,1]=4 2670 B10R0.108 CCCC(C)SCC(C)CC 62a_100000748023_100000766640 [0,0,0,0,0,1|2,0,1]=4 2671 B10R0.108 CCCC(C)SCC(C)CC 62a_100000766640_100000748023 [0,0,0,0,0,1|2,0,1]=4 2672 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100000766640_100009816398 [0,0,0,0,0,1|2,0,1]=4 2673 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100009816398_100000766640 [0,0,0,0,0,1|2,0,1]=4 2674 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [0,0,0,0,0,1|2,0,1]=4 2675 B10R0.108 CCN(C)CCC(=O)CCF 1458a_100000755305_100011217306 [0,0,0,0,0,1|3,0,0]=4 2676 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [0,0,0,0,0,1|3,0,0]=4 2677 B10R0.108 CCN(C)CCC(=O)NNC 22a_100016993582_100000755305 [0,0,0,0,0,1|3,0,0]=4 2678 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,0,0,0,0,1|2,0,1]=4 2679 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,0,0,0,0,1|1,0,0]=2 2680 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,0,0,0,0,1|1,0,0]=2 2681 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,0,0,0,0,1|1,0,0]=2 2682 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,0,0,0,0,1|2,0,0]=3 2683 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,0,0,0,0,1|2,0,0]=3 2684 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,0,0,0,0,1|2,0,0]=3 2685 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,0,0,0,0,1|2,0,0]=3 2686 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,0,0,0,0,1|3,0,0]=4 2687 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,0,0,0,0,1|3,0,0]=4 2688 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,0,0,0,0,1|3,0,0]=4 2689 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [0,0,0,0,0,1|2,0,1]=4 2690 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [0,0,0,0,0,1|2,0,1]=4 2691 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [0,0,0,0,0,1|2,0,1]=4 2692 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [0,0,0,0,0,1|2,0,1]=4 2693 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [0,0,0,0,0,1|2,0,1]=4 2694 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [0,0,0,0,0,1|2,0,1]=4 2695 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [0,0,0,0,0,1|2,0,1]=4 2696 B10R0.108 CCNC(=O)CNC(C)C#N 2230a_100000737613_100000183381 [0,0,0,0,0,1|2,0,1]=4 2697 B10R0.108 CCNC(=O)CNC(C)C#N 2230a_100016988866_100000184139 [0,0,0,0,0,1|2,0,1]=4 2698 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,0,0,0,0,1|1,0,0]=2 2699 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,0,0,0,0,1|1,0,0]=2 2700 B10R0.108 CCNC(=O)CNC(C)CO 2230a_100016988866_100012180447 [0,0,0,0,0,1|2,0,0]=3 2701 B10R0.108 CCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183381 [0,0,0,0,0,1|2,0,0]=3 2702 B10R0.108 CCNC(=O)COC(C)C#N 34a_100011218135_100000183381 [0,0,0,0,0,1|2,0,1]=4 2703 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,0,0,0,0,1|1,0,0]=2 2704 B10R0.108 CCNC(=O)COC(C)CF 34a_100016041109_100000183381 [0,0,0,0,0,1|2,0,0]=3 2705 B10R0.108 CCNC(=O)COC(C)CF 7a_100016041109_100000183381 [0,0,0,0,0,1|2,0,0]=3 2706 B10R0.108 CCNC(=O)COC(C)CN 34a_100000210904_100000183381 [0,0,0,0,0,1|2,0,0]=3 2707 B10R0.108 CCNC(=O)CSC(C)C#N 62a_100000183381_100000703298 [0,0,0,0,0,1|2,0,1]=4 2708 B10R0.108 CCNC(=O)CSC(C)C#N 62a_100000703298_100000183381 [0,0,0,0,0,1|2,0,1]=4 2709 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,0,0,0,0,1|1,0,0]=2 2710 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,0,0,0,0,1|1,0,0]=2 2711 B10R0.108 CCNC(=O)CSC(C)CO 62a_100012180447_100000183381 [0,0,0,0,0,1|2,0,0]=3 2712 B10R0.108 CCNC(=O)CSC(C)OC 62a_100000183381_100009879195 [0,0,0,0,0,1|2,0,0]=3 2713 B10R0.108 CCNC(=O)CSC(C)OC 62a_100009879195_100000183381 [0,0,0,0,0,1|2,0,0]=3 2714 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100000183381_100016084084 [0,0,0,0,0,1|2,0,0]=3 2715 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183381 [0,0,0,0,0,1|2,0,0]=3 2716 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,0,0,0,0,1|1,0,0]=2 2717 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,0,0,0,0,1|1,0,0]=2 2718 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,0,0,0,0,1|1,0,0]=2 2719 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,0,0,0,0,1|1,0,0]=2 2720 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,0,0,0,0,1|1,0,0]=2 2721 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,0,0,0,0,1|1,0,0]=2 2722 B10R0.108 CCNC(=O)NCC(C)CO 2708a_100015525214_100000744482 [0,0,0,0,0,1|2,0,0]=3 2723 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100000744482_100015525214 [0,0,0,0,0,1|2,0,0]=3 2724 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100015525214_100000744482 [0,0,0,0,0,1|2,0,0]=3 2725 B10R0.108 CCNC(=O)NCC(C)CO 512a_100000744482_100015525214 [0,0,0,0,0,1|2,0,0]=3 2726 B10R0.108 CCNC(=O)NCC(C)CO 512a_100015525214_100000744482 [0,0,0,0,0,1|2,0,0]=3 2727 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,0,0,0,0,1|2,0,0]=3 2728 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,0,0,0,0,1|2,0,0]=3 2729 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,0,0,0,0,1|2,0,0]=3 2730 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,0,0,0,0,1|2,0,0]=3 2731 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100015525214_100020591295 [0,0,0,0,0,1|2,0,0]=3 2732 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100015525214 [0,0,0,0,0,1|2,0,0]=3 2733 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100015525214_100020591295 [0,0,0,0,0,1|2,0,0]=3 2734 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100015525214 [0,0,0,0,0,1|2,0,0]=3 2735 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100015525214_100020591295 [0,0,0,0,0,1|2,0,0]=3 2736 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100015525214 [0,0,0,0,0,1|2,0,0]=3 2737 B10R0.108 CCNC(=O)NC[C@@H](F)CO 2708a_100015525214_100015665980 [0,0,0,0,0,1|3,0,0]=4 2738 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015525214_100015665980 [0,0,0,0,0,1|3,0,0]=4 2739 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100015525214 [0,0,0,0,0,1|3,0,0]=4 2740 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015525214_100015665980 [0,0,0,0,0,1|3,0,0]=4 2741 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015665980_100015525214 [0,0,0,0,0,1|3,0,0]=4 2742 B10R0.108 CCNC(=O)NC[C@H](O)CO 2708a_100015525214_100020644852 [0,0,0,0,0,1|3,0,0]=4 2743 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100015525214_100020644852 [0,0,0,0,0,1|3,0,0]=4 2744 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100015525214 [0,0,0,0,0,1|3,0,0]=4 2745 B10R0.108 CCNC(=O)NNC(C)CC 273464a_100015525214_100000718999 [0,0,0,0,0,1|2,0,0]=3 2746 B10R0.108 CCNC(=O)NNC(C)CC 512a_100000718999_100015525214 [0,0,0,0,0,1|2,0,0]=3 2747 B10R0.108 CCNC(=O)NNC(C)CC 512a_100015525214_100000718999 [0,0,0,0,0,1|2,0,0]=3 2748 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,0,0,0,0,1|1,0,2]=4 2749 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,0,0,0,0,1|1,0,1]=3 2750 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,0,0,0,0,1|2,0,1]=4 2751 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,0,0,0,0,1|2,0,1]=4 2752 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,0,0,0,0,1|2,0,1]=4 2753 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,0,0,0,0,1|2,0,1]=4 2754 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,0,0,0,0,1|1,0,0]=2 2755 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,0,0,0,0,1|1,0,0]=2 2756 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,0,0,0,0,1|1,0,0]=2 2757 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,0,0,0,0,1|1,0,0]=2 2758 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,0,0,0,0,1|1,0,0]=2 2759 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,0,0,0,0,1|1,0,0]=2 2760 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,0,0,0,0,1|1,0,0]=2 2761 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,0,0,0,0,1|1,0,0]=2 2762 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,0,0,0,0,1|1,0,0]=2 2763 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,0,0,0,0,1|1,0,0]=2 2764 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,0,0,0,0,1|1,0,0]=2 2765 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,0,0,0,0,1|1,0,0]=2 2766 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,0,0,0,0,1|1,0,0]=2 2767 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,0,0,0,0,1|1,0,0]=2 2768 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,0,0,0,0,1|2,0,0]=3 2769 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,0,0,0,0,1|1,0,0]=2 2770 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,0,0,0,0,1|1,0,0]=2 2771 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,0,0,0,0,1|1,0,1]=3 2772 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,0,0,0,0,1|2,0,1]=4 2773 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,0,0,0,0,1|1,0,1]=3 2774 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,0,0,0,0,1|0,0,0]=1 2775 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,0,0,0,0,1|1,0,0]=2 2776 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,0,0,0,0,1|1,0,1]=3 2777 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,0,0,0,0,1|0,0,0]=1 2778 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,0,0,0,0,1|1,0,0]=2 2779 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,0,0,0,0,1|1,0,0]=2 2780 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,0,0,0,0,1|1,0,0]=2 2781 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,0,0,0,0,1|1,0,1]=3 2782 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,0,0,0,0,1|1,0,1]=3 2783 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,0,0,0,0,1|0,0,0]=1 2784 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,0,0,0,0,1|0,0,0]=1 2785 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,0,0,0,0,1|1,0,0]=2 2786 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,0,0,0,0,1|1,0,0]=2 2787 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,0,0,0,0,1|1,0,0]=2 2788 B10R0.108 CCOC(=O)CSC(F)C#N 62a_100000188475_200000117898 [0,0,0,0,0,1|2,0,1]=4 2789 B10R0.108 CCOC(=O)CSC(F)C#N 62a_200000117898_100000188475 [0,0,0,0,0,1|2,0,1]=4 2790 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,0,0,0,0,1|1,0,0]=2 2791 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,0,0,0,0,1|1,0,0]=2 2792 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,0,0,0,0,1|1,0,1]=3 2793 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,0,0,0,0,1|2,0,1]=4 2794 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,0,0,0,0,1|2,0,1]=4 2795 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,0,0,0,0,1|2,0,1]=4 2796 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,0,0,0,0,1|2,0,1]=4 2797 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,0,0,0,0,1|2,0,1]=4 2798 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,0,0,0,0,1|1,0,1]=3 2799 B10R0.108 CNNC(=O)NCC(C)CO 273464a_100000744482_100016993582 [0,0,0,0,0,1|3,0,0]=4 2800 B10R0.108 CNNC(=O)NCC(C)CO 512a_100000744482_100016993582 [0,0,0,0,0,1|3,0,0]=4 2801 B10R0.108 CNNC(=O)NCC(C)CO 512a_100016993582_100000744482 [0,0,0,0,0,1|3,0,0]=4 2802 B10R0.108 CNNC(=O)NC[C@@H](C)OC 273464a_100020591295_100016993582 [0,0,0,0,0,1|3,0,0]=4 2803 B10R0.108 CNNC(=O)NC[C@@H](C)OC 512a_100016993582_100020591295 [0,0,0,0,0,1|3,0,0]=4 2804 B10R0.108 CNNC(=O)NC[C@@H](C)OC 512a_100020591295_100016993582 [0,0,0,0,0,1|3,0,0]=4 2805 B10R0.108 COC(C)SCC(=O)NCO 62a_100000185155_100009879195 [0,0,0,0,0,1|3,0,0]=4 2806 B10R0.108 COC(C)SCC(=O)NCO 62a_100009879195_100000185155 [0,0,0,0,0,1|3,0,0]=4 2807 B10R0.108 COCC(=O)NCC(C)CO 240690a_100000744482_100000210968 [0,0,0,0,0,1|3,0,0]=4 2808 B10R0.108 COCC(=O)NCC(C)CO 527a_100000744482_100000210968 [0,0,0,0,0,1|3,0,0]=4 2809 B10R0.108 COCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210968 [0,0,0,0,0,1|3,0,0]=4 2810 B10R0.108 COCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210968 [0,0,0,0,0,1|3,0,0]=4 2811 B10R0.108 COCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210968 [0,0,0,0,0,1|3,0,0]=4 2812 B10R0.108 COCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210968 [0,0,0,0,0,1|3,0,0]=4 2813 B10R0.108 CO[C@H](C)CNC(=O)CCO 240690a_100020591295_100011216618 [0,0,0,0,0,1|3,0,0]=4 2814 B10R0.108 CO[C@H](C)CNC(=O)CSC 11a_100020591295_100000184570 [0,0,0,0,0,1|3,0,0]=4 2815 B10R0.108 CO[C@H](C)CNC(=O)CSC 1626a_100020591295_100000184570 [0,0,0,0,0,1|3,0,0]=4 2816 B10R0.108 CO[C@H](C)CNC(=O)CSC 240690a_100020591295_100000184570 [0,0,0,0,0,1|3,0,0]=4 2817 B10R0.108 CO[C@H](C)CNC(=O)CSC 527a_100020591295_100000184570 [0,0,0,0,0,1|3,0,0]=4 2818 B10R0.108 CSCC(=O)NCC(C)CO 240690a_100000744482_100000184570 [0,0,0,0,0,1|3,0,0]=4 2819 B10R0.108 CSCC(=O)NCC(C)CO 527a_100000744482_100000184570 [0,0,0,0,0,1|3,0,0]=4 2820 B10R0.108 C[C@H](CO)NCC(=O)NCO 2230a_100000737577_100000185155 [0,0,0,0,0,1|3,0,0]=4 2821 B10R0.108 C[C@H](CO)SCC(=O)NCO 62a_100000185155_100016084084 [0,0,0,0,0,1|3,0,0]=4 2822 B10R0.108 C[C@H](CO)SCC(=O)NCO 62a_100016084084_100000185155 [0,0,0,0,0,1|3,0,0]=4 2823 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 2824 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|2,0,0]=4 2825 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 2826 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|2,0,0]=4 2827 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|2,0,0]=4 2828 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|2,0,0]=4 2829 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|2,0,0]=4 2830 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|2,0,0]=4 2831 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|2,0,0]=4 2832 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|2,0,0]=4 2833 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|2,0,0]=4 2834 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|2,0,0]=4 2835 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|2,0,0]=4 2836 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|2,0,0]=4 2837 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|2,0,0]=4 2838 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|2,0,0]=4 2839 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|2,0,0]=4 2840 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,1]=4 2841 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,1]=4 2842 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|0,0,1]=3 2843 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|0,0,1]=3 2844 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|0,0,1]=3 2845 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|1,0,1]=4 2846 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|1,0,1]=4 2847 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|0,1,1]=4 2848 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|0,1,1]=4 2849 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|2,0,0]=4 2850 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|2,0,0]=4 2851 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|2,0,0]=4 2852 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|2,0,0]=4 2853 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|2,0,0]=4 2854 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|2,0,0]=4 2855 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|2,0,0]=4 2856 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|1,0,1]=4 2857 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|1,0,1]=4 2858 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|1,0,1]=4 2859 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|1,0,1]=4 2860 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|1,0,1]=4 2861 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|1,0,1]=4 2862 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|1,0,1]=4 2863 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|1,0,1]=4 2864 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|1,0,1]=4 2865 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|1,0,1]=4 2866 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|1,0,1]=4 2867 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|1,0,1]=4 2868 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 2869 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,1]=4 2870 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 2871 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 2872 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 2873 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|1,0,1]=4 2874 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|1,0,1]=4 2875 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 2876 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 2877 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 2878 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|1,0,1]=4 2879 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|1,0,1]=4 2880 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|1,0,1]=4 2881 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|1,0,1]=4 2882 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|1,0,1]=4 2883 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|1,0,1]=4 2884 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|1,0,1]=4 2885 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|1,0,1]=4 2886 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|1,0,1]=4 2887 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|1,0,1]=4 2888 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|1,0,1]=4 2889 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|1,0,1]=4 2890 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|1,0,1]=4 2891 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|1,0,1]=4 2892 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|1,0,1]=4 2893 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|1,0,1]=4 2894 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|1,0,1]=4 2895 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|1,0,1]=4 2896 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|1,0,1]=4 2897 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|1,0,1]=4 2898 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|1,0,1]=4 2899 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [2,0,0,0,0,0|0,0,2]=4 2900 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [2,0,0,0,0,0|0,0,2]=4 2901 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [2,0,0,0,0,0|0,0,2]=4 2902 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|0,0,2]=4 2903 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [2,0,0,0,0,0|1,0,1]=4 2904 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [2,0,0,0,0,0|0,0,2]=4 2905 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [2,0,0,0,0,0|0,0,2]=4 2906 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [2,0,0,0,0,0|0,0,2]=4 2907 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|0,0,2]=4 2908 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|0,0,2]=4 2909 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [2,0,0,0,0,0|0,0,2]=4 2910 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [2,0,0,0,0,0|2,0,0]=4 2911 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|0,0,2]=4 2912 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|0,0,2]=4 2913 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [2,0,0,0,0,0|1,0,1]=4 2914 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [2,0,0,0,0,0|0,0,2]=4 2915 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [2,0,0,0,0,0|1,0,1]=4 2916 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [2,0,0,0,0,0|1,0,1]=4 2917 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,0]=3 2918 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,0]=3 2919 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,0]=3 2920 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,0]=3 2921 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,0]=3 2922 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,0]=3 2923 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [2,0,0,0,0,0|2,0,0]=4 2924 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [2,0,0,0,0,0|2,0,0]=4 2925 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [2,0,0,0,0,0|2,0,0]=4 2926 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2927 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2928 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2929 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2930 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 2931 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 2932 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [2,0,0,0,0,0|1,0,1]=4 2933 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [2,0,0,0,0,0|1,0,1]=4 2934 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [2,0,0,0,0,0|0,0,1]=3 2935 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [2,0,0,0,0,0|0,0,1]=3 2936 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [2,0,0,0,0,0|1,1,0]=4 2937 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [2,0,0,0,0,0|1,1,0]=4 2938 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [2,0,0,0,0,0|1,0,1]=4 2939 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [2,0,0,0,0,0|1,0,1]=4 2940 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [2,0,0,0,0,0|1,0,1]=4 2941 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [2,0,0,0,0,0|0,0,2]=4 2942 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,0]=2 2943 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,0]=2 2944 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,0]=3 2945 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|1,0,0]=3 2946 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,0]=3 2947 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2948 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2949 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2950 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [2,0,0,0,0,0|1,0,1]=4 2951 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [2,0,0,0,0,0|1,0,1]=4 2952 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [2,0,0,0,0,0|1,0,1]=4 2953 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [2,0,0,0,0,0|1,0,1]=4 2954 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [2,0,0,0,0,0|1,0,1]=4 2955 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [2,0,0,0,0,0|1,0,1]=4 2956 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [2,0,0,0,0,0|1,0,1]=4 2957 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [2,0,0,0,0,0|1,0,1]=4 2958 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [2,0,0,0,0,0|1,0,1]=4 2959 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [2,0,0,0,0,0|1,0,1]=4 2960 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [2,0,0,0,0,0|1,0,1]=4 2961 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [2,0,0,0,0,0|1,0,1]=4 2962 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [2,0,0,0,0,0|1,0,1]=4 2963 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [2,0,0,0,0,0|1,0,1]=4 2964 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [2,0,0,0,0,0|1,0,1]=4 2965 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [2,0,0,0,0,0|1,0,1]=4 2966 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [2,0,0,0,0,0|1,0,1]=4 2967 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [2,0,0,0,0,0|1,0,1]=4 2968 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [2,0,0,0,0,0|1,0,1]=4 2969 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [2,0,0,0,0,0|1,0,1]=4 2970 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [2,0,0,0,0,0|1,0,1]=4 2971 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [2,0,0,0,0,0|1,0,1]=4 2972 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [2,0,0,0,0,0|1,0,1]=4 2973 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2974 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2975 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2976 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2977 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 2978 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 2979 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [2,0,0,0,0,0|2,0,0]=4 2980 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 2981 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 2982 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 2983 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 2984 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [2,0,0,0,0,0|2,0,0]=4 2985 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [2,0,0,0,0,0|1,0,1]=4 2986 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [2,0,0,0,0,0|1,0,1]=4 2987 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [2,0,0,0,0,0|1,0,1]=4 2988 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [2,0,0,0,0,0|1,0,1]=4 2989 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [2,0,0,0,0,0|1,0,1]=4 2990 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [2,0,0,0,0,0|1,0,1]=4 2991 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [2,0,0,0,0,0|1,0,1]=4 2992 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [2,0,0,0,0,0|1,0,1]=4 2993 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [2,0,0,0,0,0|1,0,1]=4 2994 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [2,0,0,0,0,0|1,0,1]=4 2995 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [2,0,0,0,0,0|1,0,1]=4 2996 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [2,0,0,0,0,0|1,0,1]=4 2997 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [2,0,0,0,0,0|1,0,1]=4 2998 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [2,0,0,0,0,0|2,0,0]=4 2999 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [2,0,0,0,0,0|2,0,0]=4 3000 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|1,0,0]=3 3001 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [2,0,0,0,0,0|1,0,0]=3 3002 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [2,0,0,0,0,0|1,0,0]=3 3003 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [2,0,0,0,0,0|1,0,0]=3 3004 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [2,0,0,0,0,0|2,0,0]=4 3005 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [2,0,0,0,0,0|2,0,0]=4 3006 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [2,0,0,0,0,0|2,0,0]=4 3007 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [2,0,0,0,0,0|1,0,0]=3 3008 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [2,0,0,0,0,0|2,0,0]=4 3009 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [2,0,0,0,0,0|2,0,0]=4 3010 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [2,0,0,0,0,0|2,0,0]=4 3011 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,0]=3 3012 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,0]=3 3013 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [2,0,0,0,0,0|2,0,0]=4 3014 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [2,0,0,0,0,0|2,0,0]=4 3015 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 3016 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 3017 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [2,0,0,0,0,0|2,0,0]=4 3018 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [2,0,0,0,0,0|2,0,0]=4 3019 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 3020 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|1,0,0]=3 3021 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [2,0,0,0,0,0|0,0,0]=2 3022 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [2,0,0,0,0,0|1,0,0]=3 3023 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [2,0,0,0,0,0|1,0,0]=3 3024 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [2,0,0,0,0,0|1,0,0]=3 3025 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [2,0,0,0,0,0|1,0,0]=3 3026 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [2,0,0,0,0,0|1,0,0]=3 3027 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [2,0,0,0,0,0|1,0,0]=3 3028 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [2,0,0,0,0,0|2,0,0]=4 3029 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [2,0,0,0,0,0|1,0,0]=3 3030 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [2,0,0,0,0,0|2,0,0]=4 3031 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [2,0,0,0,0,0|1,0,0]=3 3032 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [2,0,0,0,0,0|0,0,0]=2 3033 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [2,0,0,0,0,0|0,0,0]=2 3034 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [2,0,0,0,0,0|1,0,0]=3 3035 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [2,0,0,0,0,0|2,0,0]=4 3036 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [2,0,0,0,0,0|2,0,0]=4 3037 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [2,0,0,0,0,0|2,0,0]=4 3038 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,0]=3 3039 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,0]=3 3040 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,0]=3 3041 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [2,0,0,0,0,0|2,0,0]=4 3042 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [2,0,0,0,0,0|2,0,0]=4 3043 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 3044 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 3045 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 3046 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [2,0,0,0,0,0|2,0,0]=4 3047 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [2,0,0,0,0,0|2,0,0]=4 3048 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|1,0,0]=3 3049 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|1,0,0]=3 3050 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [2,0,0,0,0,0|0,1,0]=3 3051 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [2,0,0,0,0,0|0,1,0]=3 3052 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [2,0,0,0,0,0|1,1,0]=4 3053 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [2,0,0,0,0,0|1,1,0]=4 3054 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [2,0,0,0,0,0|1,1,0]=4 3055 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [2,0,0,0,0,0|0,1,0]=3 3056 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [2,0,0,0,0,0|0,1,0]=3 3057 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [2,0,0,0,0,0|1,1,0]=4 3058 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [2,0,0,0,0,0|1,1,0]=4 3059 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [2,0,0,0,0,0|1,0,0]=3 3060 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [2,0,0,0,0,0|1,1,0]=4 3061 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [2,0,0,0,0,0|1,1,0]=4 3062 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 3063 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 3064 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [2,0,0,0,0,0|2,0,0]=4 3065 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 3066 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 3067 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [2,0,0,0,0,0|2,0,0]=4 3068 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [2,0,0,0,0,0|2,0,0]=4 3069 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 3070 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [2,0,0,0,0,0|2,0,0]=4 3071 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [2,0,0,0,0,0|2,0,0]=4 3072 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 3073 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 3074 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 3075 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [2,0,0,0,0,0|2,0,0]=4 3076 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [2,0,0,0,0,0|2,0,0]=4 3077 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [2,0,0,0,0,0|2,0,0]=4 3078 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [2,0,0,0,0,0|2,0,0]=4 3079 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [2,0,0,0,0,0|1,0,1]=4 3080 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 3081 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 3082 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 3083 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [2,0,0,0,0,0|2,0,0]=4 3084 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 3085 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|1,0,0]=3 3086 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|1,0,0]=3 3087 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|1,0,0]=3 3088 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|1,0,0]=3 3089 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|1,0,0]=3 3090 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|1,0,0]=3 3091 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|1,0,0]=3 3092 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [2,0,0,0,0,0|2,0,0]=4 3093 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [2,0,0,0,0,0|2,0,0]=4 3094 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [2,0,0,0,0,0|2,0,0]=4 3095 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [2,0,0,0,0,0|2,0,0]=4 3096 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [2,0,0,0,0,0|1,0,1]=4 3097 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [2,0,0,0,0,0|2,0,0]=4 3098 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [2,0,0,0,0,0|2,0,0]=4 3099 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [2,0,0,0,0,0|2,0,0]=4 3100 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|1,0,0]=3 3101 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [2,0,0,0,0,0|1,0,1]=4 3102 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [2,0,0,0,0,0|2,0,0]=4 3103 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [2,0,0,0,0,0|2,0,0]=4 3104 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [2,0,0,0,0,0|2,0,0]=4 3105 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|2,0,0]=4 3106 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|1,0,1]=4 3107 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|1,0,1]=4 3108 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|1,0,0]=3 3109 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|2,0,0]=4 3110 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|2,0,0]=4 3111 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|2,0,0]=4 3112 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 3113 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 3114 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|2,0,0]=4 3115 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|2,0,0]=4 3116 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|2,0,0]=4 3117 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|2,0,0]=4 3118 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|2,0,0]=4 3119 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|2,0,0]=4 3120 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 3121 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 3122 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 3123 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 3124 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 3125 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|1,0,1]=4 3126 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 3127 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 3128 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 3129 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 3130 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 3131 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 3132 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 3133 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 3134 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 3135 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 3136 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 3137 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 3138 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 3139 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 3140 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 3141 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 3142 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 3143 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 3144 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 3145 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 3146 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 3147 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 3148 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|1,0,0]=3 3149 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 3150 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|1,0,0]=3 3151 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|1,0,0]=3 3152 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|1,0,0]=3 3153 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|1,0,0]=3 3154 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|1,0,0]=3 3155 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [2,0,0,0,0,0|0,0,2]=4 3156 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [2,0,0,0,0,0|0,0,2]=4 3157 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [2,0,0,0,0,0|2,0,0]=4 3158 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [2,0,0,0,0,0|2,0,0]=4 3159 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [2,0,0,0,0,0|2,0,0]=4 3160 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [2,0,0,0,0,0|2,0,0]=4 3161 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [2,0,0,0,0,0|2,0,0]=4 3162 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [2,0,0,0,0,0|2,0,0]=4 3163 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [2,0,0,0,0,0|2,0,0]=4 3164 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [2,0,0,0,0,0|2,0,0]=4 3165 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [2,0,0,0,0,0|0,0,2]=4 3166 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [2,0,0,0,0,0|0,0,2]=4 3167 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [2,0,0,0,0,0|0,0,2]=4 3168 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [2,0,0,0,0,0|1,0,0]=3 3169 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [2,0,0,0,0,0|2,0,0]=4 3170 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [2,0,0,0,0,0|2,0,0]=4 3171 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [2,0,0,0,0,0|2,0,0]=4 3172 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [2,0,0,0,0,0|2,0,0]=4 3173 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [2,0,0,0,0,0|2,0,0]=4 3174 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [2,0,0,0,0,0|2,0,0]=4 3175 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [2,0,0,0,0,0|2,0,0]=4 3176 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [2,0,0,0,0,0|2,0,0]=4 3177 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [2,0,0,0,0,0|1,0,0]=3 3178 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [2,0,0,0,0,0|1,0,0]=3 3179 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [2,0,0,0,0,0|1,0,1]=4 3180 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [2,0,0,0,0,0|1,0,1]=4 3181 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [2,0,0,0,0,0|2,0,0]=4 3182 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [2,0,0,0,0,0|2,0,0]=4 3183 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [2,0,0,0,0,0|2,0,0]=4 3184 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [2,0,0,0,0,0|0,0,2]=4 3185 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [2,0,0,0,0,0|0,0,2]=4 3186 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [2,0,0,0,0,0|0,0,2]=4 3187 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [2,0,0,0,0,0|1,0,1]=4 3188 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [2,0,0,0,0,0|0,0,0]=2 3189 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [2,0,0,0,0,0|0,0,0]=2 3190 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [2,0,0,0,0,0|1,0,0]=3 3191 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [2,0,0,0,0,0|2,0,0]=4 3192 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [2,0,0,0,0,0|1,0,0]=3 3193 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [2,0,0,0,0,0|1,0,0]=3 3194 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [2,0,0,0,0,0|1,0,0]=3 3195 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [2,0,0,0,0,0|1,0,0]=3 3196 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [2,0,0,0,0,0|1,0,0]=3 3197 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [2,0,0,0,0,0|1,0,0]=3 3198 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [2,0,0,0,0,0|1,0,0]=3 3199 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [2,0,0,0,0,0|1,0,0]=3 3200 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [2,0,0,0,0,0|0,0,0]=2 3201 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [2,0,0,0,0,0|0,0,0]=2 3202 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [2,0,0,0,0,0|0,0,0]=2 3203 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [2,0,0,0,0,0|2,0,0]=4 3204 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [2,0,0,0,0,0|2,0,0]=4 3205 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [2,0,0,0,0,0|2,0,0]=4 3206 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [2,0,0,0,0,0|2,0,0]=4 3207 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [2,0,0,0,0,0|2,0,0]=4 3208 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [2,0,0,0,0,0|2,0,0]=4 3209 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [2,0,0,0,0,0|2,0,0]=4 3210 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [2,0,0,0,0,0|1,0,0]=3 3211 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [2,0,0,0,0,0|1,0,0]=3 3212 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [2,0,0,0,0,0|1,0,0]=3 3213 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [2,0,0,0,0,0|1,0,0]=3 3214 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [2,0,0,0,0,0|1,0,0]=3 3215 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [2,0,0,0,0,0|1,0,0]=3 3216 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [2,0,0,0,0,0|1,0,0]=3 3217 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [2,0,0,0,0,0|1,0,0]=3 3218 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [2,0,0,0,0,0|2,0,0]=4 3219 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [2,0,0,0,0,0|2,0,0]=4 3220 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [2,0,0,0,0,0|2,0,0]=4 3221 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [2,0,0,0,0,0|1,0,0]=3 3222 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [2,0,0,0,0,0|1,0,0]=3 3223 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [2,0,0,0,0,0|1,0,0]=3 3224 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [2,0,0,0,0,0|1,0,1]=4 3225 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [2,0,0,0,0,0|2,0,0]=4 3226 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [2,0,0,0,0,0|2,0,0]=4 3227 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [2,0,0,0,0,0|2,0,0]=4 3228 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [2,0,0,0,0,0|2,0,0]=4 3229 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [2,0,0,0,0,0|2,0,0]=4 3230 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [2,0,0,0,0,0|2,0,0]=4 3231 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [2,0,0,0,0,0|1,0,0]=3 3232 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [2,0,0,0,0,0|2,0,0]=4 3233 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [2,0,0,0,0,0|2,0,0]=4 3234 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [2,0,0,0,0,0|0,0,0]=2 3235 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [2,0,0,0,0,0|2,0,0]=4 3236 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [2,0,0,0,0,0|2,0,0]=4 3237 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [2,0,0,0,0,0|2,0,0]=4 3238 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [2,0,0,0,0,0|2,0,0]=4 3239 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [2,0,0,0,0,0|1,0,0]=3 3240 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [2,0,0,0,0,0|1,0,0]=3 3241 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [2,0,0,0,0,0|1,0,0]=3 3242 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [2,0,0,0,0,0|1,0,0]=3 3243 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [2,0,0,0,0,0|2,0,0]=4 3244 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [2,0,0,0,0,0|2,0,0]=4 3245 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [2,0,0,0,0,0|2,0,0]=4 3246 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [2,0,0,0,0,0|2,0,0]=4 3247 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [2,0,0,0,0,0|2,0,0]=4 3248 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [2,0,0,0,0,0|2,0,0]=4 3249 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [2,0,0,0,0,0|2,0,0]=4 3250 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [2,0,0,0,0,0|2,0,0]=4 3251 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [2,0,0,0,0,0|2,0,0]=4 3252 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [2,0,0,0,0,0|2,0,0]=4 3253 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [2,0,0,0,0,0|2,0,0]=4 3254 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [2,0,0,0,0,0|2,0,0]=4 3255 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [2,0,0,0,0,0|2,0,0]=4 3256 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [2,0,0,0,0,0|2,0,0]=4 3257 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [2,0,0,0,0,0|2,0,0]=4 3258 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [2,0,0,0,0,0|2,0,0]=4 3259 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [2,0,0,0,0,0|2,0,0]=4 3260 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [2,0,0,0,0,0|1,0,1]=4 3261 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [2,0,0,0,0,0|1,0,1]=4 3262 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [2,0,0,0,0,0|1,0,1]=4 3263 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [2,0,0,0,0,0|1,0,0]=3 3264 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [2,0,0,0,0,0|1,0,0]=3 3265 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [2,0,0,0,0,0|1,0,0]=3 3266 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [2,0,0,0,0,0|1,0,0]=3 3267 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [2,0,0,0,0,0|1,0,1]=4 3268 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [2,0,0,0,0,0|1,0,1]=4 3269 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [2,0,0,0,0,0|1,0,1]=4 3270 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [2,0,0,0,0,0|2,0,0]=4 3271 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [2,0,0,0,0,0|2,0,0]=4 3272 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [2,0,0,0,0,0|2,0,0]=4 3273 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [2,0,0,0,0,0|2,0,0]=4 3274 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [2,0,0,0,0,0|1,0,1]=4 3275 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [2,0,0,0,0,0|1,0,1]=4 3276 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [2,0,0,0,0,0|2,0,0]=4 3277 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [2,0,0,0,0,0|2,0,0]=4 3278 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [2,0,0,0,0,0|2,0,0]=4 3279 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [2,0,0,0,0,0|2,0,0]=4 3280 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [2,0,0,0,0,0|2,0,0]=4 3281 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [2,0,0,0,0,0|2,0,0]=4 3282 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [2,0,0,0,0,0|2,0,0]=4 3283 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [2,0,0,0,0,0|2,0,0]=4 3284 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [2,0,0,0,0,0|2,0,0]=4 3285 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [2,0,0,0,0,0|1,0,1]=4 3286 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [2,0,0,0,0,0|1,0,1]=4 3287 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [2,0,0,0,0,0|1,0,1]=4 3288 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|0,0,1]=3 3289 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|0,0,1]=3 3290 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|0,0,1]=3 3291 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [2,0,0,0,0,0|1,0,1]=4 3292 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [2,0,0,0,0,0|1,0,1]=4 3293 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [2,0,0,0,0,0|1,0,1]=4 3294 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [2,0,0,0,0,0|1,0,1]=4 3295 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [2,0,0,0,0,0|1,0,1]=4 3296 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [2,0,0,0,0,0|1,0,1]=4 3297 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [2,0,0,0,0,0|1,0,1]=4 3298 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [2,0,0,0,0,0|0,1,1]=4 3299 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [2,0,0,0,0,0|0,1,1]=4 3300 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,1,0,0,0,0|1,0,1]=4 3301 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [1,1,0,0,0,0|2,0,0]=4 3302 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [1,1,0,0,0,0|2,0,0]=4 3303 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [1,1,0,0,0,0|2,0,0]=4 3304 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [1,1,0,0,0,0|2,0,0]=4 3305 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [1,1,0,0,0,0|1,0,0]=3 3306 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [1,1,0,0,0,0|1,0,0]=3 3307 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [1,1,0,0,0,0|2,0,0]=4 3308 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [1,1,0,0,0,0|2,0,0]=4 3309 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3310 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [1,1,0,0,0,0|2,0,0]=4 3311 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,1,0,0,0,0|1,0,1]=4 3312 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [1,1,0,0,0,0|1,0,1]=4 3313 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [1,1,0,0,0,0|1,0,1]=4 3314 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|1,0,0]=3 3315 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|1,0,0]=3 3316 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|1,0,0]=3 3317 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [1,1,0,0,0,0|2,0,0]=4 3318 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [1,1,0,0,0,0|2,0,0]=4 3319 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|1,0,0]=3 3320 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [1,1,0,0,0,0|2,0,0]=4 3321 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 3322 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 3323 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 3324 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 3325 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [1,1,0,0,0,0|1,0,1]=4 3326 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [1,1,0,0,0,0|1,0,1]=4 3327 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [1,1,0,0,0,0|1,0,1]=4 3328 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 3329 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 3330 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 3331 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 3332 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,1,0,0,0,0|2,0,0]=4 3333 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [1,1,0,0,0,0|2,0,0]=4 3334 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 3335 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 3336 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [1,1,0,0,0,0|2,0,0]=4 3337 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 3338 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [1,1,0,0,0,0|2,0,0]=4 3339 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [1,1,0,0,0,0|2,0,0]=4 3340 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [1,1,0,0,0,0|1,0,0]=3 3341 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [1,1,0,0,0,0|2,0,0]=4 3342 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,1,0,0,0,0|2,0,0]=4 3343 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 3344 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 3345 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 3346 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [1,1,0,0,0,0|2,0,0]=4 3347 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 3348 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,1,0,0,0,0|1,0,0]=3 3349 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [1,1,0,0,0,0|2,0,0]=4 3350 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,1,0,0,0,0|2,0,0]=4 3351 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 3352 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 3353 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 3354 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 3355 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [1,1,0,0,0,0|2,0,0]=4 3356 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [1,1,0,0,0,0|2,0,0]=4 3357 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [1,1,0,0,0,0|1,0,0]=3 3358 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [1,1,0,0,0,0|1,0,0]=3 3359 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [1,1,0,0,0,0|2,0,0]=4 3360 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [1,1,0,0,0,0|2,0,0]=4 3361 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [1,1,0,0,0,0|1,0,0]=3 3362 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [1,1,0,0,0,0|1,0,0]=3 3363 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [1,1,0,0,0,0|2,0,0]=4 3364 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [1,1,0,0,0,0|2,0,0]=4 3365 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,1,0,0,0,0|2,0,0]=4 3366 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,1,0,0,0,0|2,0,0]=4 3367 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 3368 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 3369 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 3370 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 3371 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [1,1,0,0,0,0|2,0,0]=4 3372 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [1,1,0,0,0,0|2,0,0]=4 3373 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,1,0,0,0,0|2,0,0]=4 3374 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,1,0,0,0,0|2,0,0]=4 3375 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 3376 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 3377 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 3378 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 3379 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [1,1,0,0,0,0|2,0,0]=4 3380 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [1,1,0,0,0,0|2,0,0]=4 3381 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [1,1,0,0,0,0|1,0,0]=3 3382 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [1,1,0,0,0,0|1,0,0]=3 3383 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3384 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [1,1,0,0,0,0|2,0,0]=4 3385 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,1,0,0,0,0|2,0,0]=4 3386 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,1,0,0,0,0|2,0,0]=4 3387 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,1,0,0,0,0|1,0,1]=4 3388 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,1,0,0,0,0|1,0,1]=4 3389 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [1,1,0,0,0,0|1,0,1]=4 3390 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [1,1,0,0,0,0|1,0,1]=4 3391 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [1,1,0,0,0,0|1,0,1]=4 3392 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [1,1,0,0,0,0|0,0,2]=4 3393 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [1,1,0,0,0,0|0,0,2]=4 3394 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [1,1,0,0,0,0|0,0,2]=4 3395 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|1,0,1]=4 3396 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|1,0,1]=4 3397 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 3398 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 3399 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 3400 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [1,1,0,0,0,0|0,0,2]=4 3401 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [1,1,0,0,0,0|0,0,2]=4 3402 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [1,1,0,0,0,0|0,0,2]=4 3403 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [1,1,0,0,0,0|0,0,2]=4 3404 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [1,1,0,0,0,0|0,0,2]=4 3405 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [1,1,0,0,0,0|0,0,2]=4 3406 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [1,1,0,0,0,0|0,0,2]=4 3407 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,1,0,0,0,0|1,0,1]=4 3408 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [1,1,0,0,0,0|1,0,1]=4 3409 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [1,1,0,0,0,0|1,0,1]=4 3410 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [1,1,0,0,0,0|1,0,1]=4 3411 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [1,1,0,0,0,0|1,0,1]=4 3412 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [1,1,0,0,0,0|1,0,1]=4 3413 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,1,0,0,0,0|1,0,1]=4 3414 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 3415 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 3416 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 3417 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,1,0,0,0,0|1,0,1]=4 3418 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,1,0,0,0,0|1,0,1]=4 3419 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,1,0,0,0,0|1,0,1]=4 3420 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,1,0,0,0,0|1,0,1]=4 3421 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,1,0,0,0,0|1,0,1]=4 3422 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,1,0,0,0,0|1,0,1]=4 3423 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,1,0,0,0,0|1,0,1]=4 3424 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3425 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3426 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3427 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,1,0,0,0,0|1,0,1]=4 3428 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,1,0,0,0,0|1,0,1]=4 3429 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,1,0,0,0,0|1,0,1]=4 3430 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,1,0,0,0,0|1,0,1]=4 3431 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,1,0,0,0,0|1,0,1]=4 3432 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,0]=3 3433 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|1,0,0]=3 3434 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|1,0,0]=3 3435 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|1,0,0]=3 3436 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|1,0,0]=3 3437 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|1,0,0]=3 3438 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|1,0,0]=3 3439 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|1,0,0]=3 3440 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|1,0,0]=3 3441 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|1,0,0]=3 3442 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,1,0,0,0,0|2,0,0]=4 3443 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|2,0,0]=4 3444 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,1,0,0,0,0|2,0,0]=4 3445 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,1,0,0,0,0|2,0,0]=4 3446 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,1,0,0,0,0|2,0,0]=4 3447 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,1,0,0,0,0|2,0,0]=4 3448 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,1,0,0,0,0|2,0,0]=4 3449 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,1,0,0,0,0|2,0,0]=4 3450 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,1,0,0,0,0|2,0,0]=4 3451 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,1,0,0,0,0|2,0,0]=4 3452 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3453 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3454 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3455 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3456 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,1,0,0,0,0|2,0,0]=4 3457 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,1,0,0,0,0|2,0,0]=4 3458 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3459 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3460 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3461 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3462 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3463 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3464 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3465 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,1,0,0,0,0|2,0,0]=4 3466 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,1,0,0,0,0|2,0,0]=4 3467 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,1,0,0,0,0|2,0,0]=4 3468 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,1,0,0,0,0|1,0,1]=4 3469 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,1,0,0,0,0|1,0,1]=4 3470 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,1,0,0,0,0|1,0,1]=4 3471 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|1,0,0]=3 3472 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|1,0,0]=3 3473 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|2,0,0]=4 3474 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|2,0,0]=4 3475 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|2,0,0]=4 3476 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|2,0,0]=4 3477 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|2,0,0]=4 3478 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|2,0,0]=4 3479 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|2,0,0]=4 3480 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|2,0,0]=4 3481 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|2,0,0]=4 3482 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|2,0,0]=4 3483 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|2,0,0]=4 3484 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|2,0,0]=4 3485 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|2,0,0]=4 3486 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3487 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3488 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3489 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,1,0,0,0,0|2,0,0]=4 3490 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 3491 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|1,0,1]=4 3492 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 3493 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3494 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3495 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3496 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3497 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,1,0,0,0,0|2,0,0]=4 3498 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,1,0,0,0,0|2,0,0]=4 3499 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,1,0,0,0,0|2,0,0]=4 3500 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,1,0,0,0,0|2,0,0]=4 3501 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,1,0,0,0,0|2,0,0]=4 3502 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,1,0,0,0,0|2,0,0]=4 3503 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,1,0,0,0,0|2,0,0]=4 3504 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,1,0,0,0,0|2,0,0]=4 3505 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,1,0,0,0,0|2,0,0]=4 3506 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,1,0,0,0,0|2,0,0]=4 3507 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,1,0,0,0,0|2,0,0]=4 3508 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,1,0,0,0,0|2,0,0]=4 3509 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,1,0,0,0,0|2,0,0]=4 3510 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,1,0,0,0,0|2,0,0]=4 3511 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,1,0,0,0,0|2,0,0]=4 3512 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,1,0,0,0,0|2,0,0]=4 3513 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,1,0,0,0,0|2,0,0]=4 3514 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3515 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3516 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3517 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3518 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3519 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3520 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,1,0,0,0,0|2,0,0]=4 3521 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,1,0,0,0,0|2,0,0]=4 3522 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,1,0,0,0,0|2,0,0]=4 3523 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,1,0,0,0,0|2,0,0]=4 3524 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,1,0,0,0,0|2,0,0]=4 3525 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,1,0,0,0,0|2,0,0]=4 3526 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,1,0,0,0,0|2,0,0]=4 3527 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,1,0,0,0,0|2,0,0]=4 3528 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,1,0,0,0,0|2,0,0]=4 3529 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,1,0,0,0,0|2,0,0]=4 3530 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,1,0,0,0,0|2,0,0]=4 3531 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,1,0,0,0,0|1,0,0]=3 3532 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,1,0,0,0,0|2,0,0]=4 3533 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 3534 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,1,0,0,0,0|2,0,0]=4 3535 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 3536 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|1,0,0]=3 3537 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,1,0,0,0,0|2,0,0]=4 3538 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|2,0,0]=4 3539 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,1,0,0,0,0|1,0,0]=3 3540 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,1,0,0,0,0|1,0,0]=3 3541 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,1,0,0,0,0|1,0,0]=3 3542 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,1,0,0,0,0|1,0,0]=3 3543 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,1,0,0,0,0|2,0,0]=4 3544 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [1,1,0,0,0,0|2,0,0]=4 3545 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|0,0,0]=2 3546 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|1,0,0]=3 3547 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|1,0,0]=3 3548 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|1,0,0]=3 3549 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,1,0,0,0,0|2,0,0]=4 3550 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,1,0,0,0,0|2,0,0]=4 3551 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,1,0,0,0,0|1,0,0]=3 3552 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,1,0,0,0,0|1,0,0]=3 3553 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,1,0,0,0,0|1,0,0]=3 3554 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,1,0,0,0,0|1,0,0]=3 3555 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,1,0,0,0,0|1,0,0]=3 3556 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,1,0,0,0,0|2,0,0]=4 3557 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,1,0,0,0,0|2,0,0]=4 3558 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [1,1,0,0,0,0|2,0,0]=4 3559 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,1,0,0,0,0|0,0,0]=2 3560 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,1,0,0,0,0|0,0,0]=2 3561 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [1,1,0,0,0,0|1,0,1]=4 3562 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [1,1,0,0,0,0|1,0,1]=4 3563 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [1,1,0,0,0,0|1,0,1]=4 3564 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,1,0,0,0,0|1,0,0]=3 3565 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,1,0,0,0,0|1,0,0]=3 3566 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,1,0,0,0,0|1,0,0]=3 3567 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,1,0,0,0,0|1,0,0]=3 3568 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,1,0,0,0,0|1,0,0]=3 3569 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,1,0,0,0,0|1,0,0]=3 3570 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [1,1,0,0,0,0|2,0,0]=4 3571 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,1,0,0,0,0|1,0,0]=3 3572 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,1,0,0,0,0|1,0,0]=3 3573 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,1,0,0,0,0|1,0,0]=3 3574 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,1,0,0,0,0|1,0,0]=3 3575 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,1,0,0,0,0|1,0,0]=3 3576 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,1,0,0,0,0|1,0,0]=3 3577 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,1,0,0,0,0|1,0,0]=3 3578 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,1,0,0,0,0|1,0,0]=3 3579 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [1,1,0,0,0,0|2,0,0]=4 3580 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [1,1,0,0,0,0|2,0,0]=4 3581 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [1,1,0,0,0,0|2,0,0]=4 3582 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [1,1,0,0,0,0|2,0,0]=4 3583 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [1,1,0,0,0,0|2,0,0]=4 3584 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [1,1,0,0,0,0|2,0,0]=4 3585 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [1,1,0,0,0,0|2,0,0]=4 3586 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [1,1,0,0,0,0|2,0,0]=4 3587 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [1,1,0,0,0,0|2,0,0]=4 3588 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [1,1,0,0,0,0|2,0,0]=4 3589 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [1,1,0,0,0,0|2,0,0]=4 3590 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,1,0,0,0,0|2,0,0]=4 3591 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [1,1,0,0,0,0|2,0,0]=4 3592 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [1,1,0,0,0,0|2,0,0]=4 3593 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [1,1,0,0,0,0|2,0,0]=4 3594 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [1,1,0,0,0,0|2,0,0]=4 3595 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [1,1,0,0,0,0|2,0,0]=4 3596 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [1,1,0,0,0,0|2,0,0]=4 3597 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [1,1,0,0,0,0|2,0,0]=4 3598 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [1,1,0,0,0,0|2,0,0]=4 3599 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3600 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3601 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3602 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3603 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3604 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3605 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3606 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,1,0,0,0,0|2,0,0]=4 3607 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3608 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3609 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 3610 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,1,0,0,0,0|2,0,0]=4 3611 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 3612 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3613 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3614 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3615 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3616 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3617 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3618 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,1,0,0,0,0|1,0,0]=3 3619 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,1,0,0,0,0|1,0,0]=3 3620 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,1,0,0,0,0|0,0,0]=2 3621 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [1,1,0,0,0,0|1,0,1]=4 3622 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,1,0,0,0,0|0,0,2]=4 3623 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,1,0,0,0,0|0,0,2]=4 3624 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,1,0,0,0,0|0,0,2]=4 3625 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,1,0,0,0,0|0,0,2]=4 3626 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,1,0,0,0,0|0,0,2]=4 3627 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,1,0,0,0,0|0,0,2]=4 3628 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,1,0,0,0,0|0,0,2]=4 3629 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,1,0,0,0,0|0,0,2]=4 3630 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,1,0,0,0,0|0,0,0]=2 3631 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,1,0,0,0,0|0,0,0]=2 3632 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,1,0,0,0,0|0,0,0]=2 3633 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,1,0,0,0,0|0,0,0]=2 3634 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,1,0,0,0,0|0,0,0]=2 3635 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,1,0,0,0,0|0,0,0]=2 3636 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,1,0,0,0,0|0,0,0]=2 3637 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,1,0,0,0,0|0,0,0]=2 3638 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,1,0,0,0,0|0,0,0]=2 3639 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,1,0,0,0,0|0,0,0]=2 3640 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,1,0,0,0,0|0,0,0]=2 3641 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,1,0,0,0,0|0,0,0]=2 3642 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,1,0,0,0,0|1,0,0]=3 3643 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,1,0,0,0,0|1,0,0]=3 3644 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,1,0,0,0,0|1,0,0]=3 3645 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,1,0,0,0,0|1,0,0]=3 3646 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,1,0,0,0,0|1,0,0]=3 3647 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,1,0,0,0,0|1,0,0]=3 3648 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,1,0,0,0,0|1,0,0]=3 3649 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [1,1,0,0,0,0|1,0,1]=4 3650 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [1,1,0,0,0,0|1,0,1]=4 3651 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,1,0,0,0,0|1,0,1]=4 3652 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,1,0,0,0,0|1,0,1]=4 3653 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,1,0,0,0,0|1,0,0]=3 3654 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,1,0,0,0,0|1,0,0]=3 3655 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,1,0,0,0,0|1,0,0]=3 3656 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,1,0,0,0,0|1,0,0]=3 3657 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,1,0,0,0,0|1,0,0]=3 3658 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,1,0,0,0,0|1,0,0]=3 3659 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,1,0,0,0,0|1,0,0]=3 3660 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,1,0,0,0,0|1,0,0]=3 3661 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,1,0,0,0,0|1,0,0]=3 3662 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,1,0,0,0,0|1,0,0]=3 3663 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,1,0,0,0,0|1,0,0]=3 3664 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,1,0,0,0,0|1,0,0]=3 3665 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,1,0,0,0,0|1,0,0]=3 3666 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,1,0,0,0,0|1,0,0]=3 3667 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,1,0,0,0,0|2,0,0]=4 3668 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [1,1,0,0,0,0|1,0,1]=4 3669 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [1,1,0,0,0,0|1,0,1]=4 3670 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,1,0,0,0,0|2,0,0]=4 3671 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|2,0,0]=4 3672 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|2,0,0]=4 3673 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,1,0,0,0,0|2,0,0]=4 3674 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,1,0,0,0,0|2,0,0]=4 3675 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [1,1,0,0,0,0|2,0,0]=4 3676 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,1,0,0,0,0|0,0,0]=2 3677 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,1,0,0,0,0|2,0,0]=4 3678 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|2,0,0]=4 3679 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|2,0,0]=4 3680 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,1,0,0,0,0|2,0,0]=4 3681 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,1,0,0,0,0|2,0,0]=4 3682 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [1,1,0,0,0,0|2,0,0]=4 3683 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [1,1,0,0,0,0|2,0,0]=4 3684 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [1,1,0,0,0,0|2,0,0]=4 3685 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,1,0,0,0,0|2,0,0]=4 3686 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|2,0,0]=4 3687 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,1,0,0,0,0|2,0,0]=4 3688 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,1,0,0,0,0|2,0,0]=4 3689 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,1,0,0,0,0|2,0,0]=4 3690 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,1,0,0,0,0|2,0,0]=4 3691 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,1,0,0,0,0|2,0,0]=4 3692 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,1,0,0,0,0|2,0,0]=4 3693 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|2,0,0]=4 3694 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,1,0,0,0,0|2,0,0]=4 3695 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,1,0,0,0,0|2,0,0]=4 3696 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|2,0,0]=4 3697 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|2,0,0]=4 3698 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|2,0,0]=4 3699 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|2,0,0]=4 3700 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [1,1,0,0,0,0|1,0,1]=4 3701 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [1,1,0,0,0,0|2,0,0]=4 3702 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [1,1,0,0,0,0|2,0,0]=4 3703 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [1,1,0,0,0,0|2,0,0]=4 3704 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [1,1,0,0,0,0|2,0,0]=4 3705 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [1,1,0,0,0,0|2,0,0]=4 3706 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [1,1,0,0,0,0|2,0,0]=4 3707 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [1,1,0,0,0,0|2,0,0]=4 3708 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [1,1,0,0,0,0|2,0,0]=4 3709 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [1,1,0,0,0,0|2,0,0]=4 3710 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [1,1,0,0,0,0|2,0,0]=4 3711 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [1,1,0,0,0,0|2,0,0]=4 3712 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|1,0,0]=3 3713 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|1,0,0]=3 3714 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [1,1,0,0,0,0|2,0,0]=4 3715 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [1,1,0,0,0,0|2,0,0]=4 3716 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|1,0,0]=3 3717 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [1,1,0,0,0,0|2,0,0]=4 3718 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3719 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3720 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3721 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3722 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [1,1,0,0,0,0|2,0,0]=4 3723 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 3724 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 3725 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 3726 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 3727 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [1,1,0,0,0,0|2,0,0]=4 3728 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 3729 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 3730 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3731 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3732 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3733 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3734 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3735 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3736 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3737 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3738 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [1,1,0,0,0,0|2,0,0]=4 3739 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [1,1,0,0,0,0|2,0,0]=4 3740 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3741 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3742 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3743 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [1,1,0,0,0,0|2,0,0]=4 3744 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3745 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [1,1,0,0,0,0|2,0,0]=4 3746 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3747 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3748 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3749 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3750 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [1,1,0,0,0,0|2,0,0]=4 3751 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [1,1,0,0,0,0|2,0,0]=4 3752 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [1,1,0,0,0,0|1,0,1]=4 3753 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [1,1,0,0,0,0|1,0,1]=4 3754 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [1,1,0,0,0,0|0,0,2]=4 3755 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 3756 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 3757 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 3758 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 3759 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,1,0,0,0,0|1,0,1]=4 3760 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [1,1,0,0,0,0|0,0,2]=4 3761 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [1,1,0,0,0,0|2,0,0]=4 3762 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [1,1,0,0,0,0|2,0,0]=4 3763 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [1,1,0,0,0,0|2,0,0]=4 3764 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|1,0,1]=4 3765 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|1,0,1]=4 3766 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [1,1,0,0,0,0|0,0,2]=4 3767 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [1,1,0,0,0,0|1,0,1]=4 3768 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [1,1,0,0,0,0|1,0,1]=4 3769 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [1,1,0,0,0,0|1,0,1]=4 3770 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [1,1,0,0,0,0|1,0,1]=4 3771 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [1,1,0,0,0,0|1,0,1]=4 3772 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [1,1,0,0,0,0|1,0,1]=4 3773 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [1,1,0,0,0,0|1,0,1]=4 3774 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [1,1,0,0,0,0|1,0,1]=4 3775 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [1,1,0,0,0,0|0,0,2]=4 3776 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,1,0,0,0,0|1,0,1]=4 3777 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,1,0,0,0,0|1,0,1]=4 3778 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [1,1,0,0,0,0|0,0,2]=4 3779 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [1,1,0,0,0,0|1,0,1]=4 3780 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [1,1,0,0,0,0|1,0,0]=3 3781 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [1,1,0,0,0,0|2,0,0]=4 3782 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [1,1,0,0,0,0|2,0,0]=4 3783 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [1,1,0,0,0,0|2,0,0]=4 3784 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [1,1,0,0,0,0|2,0,0]=4 3785 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|1,0,0]=3 3786 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,1,0,0,0,0|2,0,0]=4 3787 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,1,0,0,0,0|2,0,0]=4 3788 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [1,1,0,0,0,0|2,0,0]=4 3789 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [1,1,0,0,0,0|2,0,0]=4 3790 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [1,1,0,0,0,0|2,0,0]=4 3791 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [1,1,0,0,0,0|2,0,0]=4 3792 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [1,1,0,0,0,0|2,0,0]=4 3793 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [1,1,0,0,0,0|2,0,0]=4 3794 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [1,1,0,0,0,0|1,0,1]=4 3795 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [1,1,0,0,0,0|1,0,1]=4 3796 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [1,1,0,0,0,0|1,0,1]=4 3797 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [1,1,0,0,0,0|1,0,1]=4 3798 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|1,0,0]=3 3799 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,0]=3 3800 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|1,0,0]=3 3801 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|1,0,0]=3 3802 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|1,0,0]=3 3803 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|1,0,0]=3 3804 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|1,0,0]=3 3805 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|0,0,0]=2 3806 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|0,1,0]=3 3807 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [1,1,0,0,0,0|1,0,1]=4 3808 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [1,1,0,0,0,0|1,0,1]=4 3809 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 3810 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 3811 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 3812 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 3813 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 3814 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 3815 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 3816 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 3817 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,0]=3 3818 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,0]=3 3819 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [1,1,0,0,0,0|1,0,0]=3 3820 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 3821 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 3822 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,1,0,0,0,0|1,0,1]=4 3823 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|1,0,1]=4 3824 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 3825 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 3826 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,1,0,0,0,0|1,0,1]=4 3827 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,1,0,0,0,0|1,0,1]=4 3828 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,1,0,0,0,0|1,0,1]=4 3829 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 3830 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 3831 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [1,1,0,0,0,0|1,0,1]=4 3832 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [1,1,0,0,0,0|2,0,0]=4 3833 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 3834 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 3835 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 3836 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 3837 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 3838 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 3839 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 3840 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 3841 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 3842 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [1,1,0,0,0,0|2,0,0]=4 3843 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [1,1,0,0,0,0|2,0,0]=4 3844 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 3845 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 3846 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 3847 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [1,1,0,0,0,0|1,0,0]=3 3848 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 3849 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 3850 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 3851 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 3852 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 3853 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [1,1,0,0,0,0|1,1,0]=4 3854 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [1,1,0,0,0,0|1,1,0]=4 3855 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [1,1,0,0,0,0|2,0,0]=4 3856 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [1,1,0,0,0,0|2,0,0]=4 3857 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [1,1,0,0,0,0|2,0,0]=4 3858 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 3859 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [1,1,0,0,0,0|2,0,0]=4 3860 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 3861 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 3862 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 3863 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [1,1,0,0,0,0|2,0,0]=4 3864 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 3865 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 3866 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [1,1,0,0,0,0|2,0,0]=4 3867 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [1,1,0,0,0,0|2,0,0]=4 3868 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [1,1,0,0,0,0|2,0,0]=4 3869 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,1,0,0,0,0|1,0,0]=3 3870 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,0]=3 3871 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,1,0,0,0,0|1,0,0]=3 3872 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,1,0,0,0,0|1,0,0]=3 3873 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [1,1,0,0,0,0|2,0,0]=4 3874 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [1,1,0,0,0,0|2,0,0]=4 3875 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [1,1,0,0,0,0|1,0,0]=3 3876 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [1,1,0,0,0,0|1,0,0]=3 3877 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [1,1,0,0,0,0|1,0,0]=3 3878 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [1,1,0,0,0,0|1,0,0]=3 3879 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [1,1,0,0,0,0|1,0,0]=3 3880 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [1,1,0,0,0,0|2,0,0]=4 3881 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [1,1,0,0,0,0|2,0,0]=4 3882 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [1,1,0,0,0,0|2,0,0]=4 3883 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [1,1,0,0,0,0|2,0,0]=4 3884 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [1,1,0,0,0,0|2,0,0]=4 3885 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [1,1,0,0,0,0|1,0,1]=4 3886 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [1,1,0,0,0,0|1,0,0]=3 3887 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,0]=3 3888 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [1,1,0,0,0,0|1,0,0]=3 3889 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [1,1,0,0,0,0|1,0,0]=3 3890 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3891 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3892 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3893 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3894 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 3895 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 3896 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [1,1,0,0,0,0|1,1,0]=4 3897 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,1,0]=4 3898 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [1,1,0,0,0,0|1,1,0]=4 3899 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [1,1,0,0,0,0|1,1,0]=4 3900 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 3901 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 3902 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 3903 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 3904 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 3905 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 3906 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [1,1,0,0,0,0|2,0,0]=4 3907 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|2,0,0]=4 3908 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [1,1,0,0,0,0|2,0,0]=4 3909 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [1,1,0,0,0,0|2,0,0]=4 3910 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [1,1,0,0,0,0|2,0,0]=4 3911 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 3912 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 3913 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 3914 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 3915 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 3916 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 3917 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [1,1,0,0,0,0|2,0,0]=4 3918 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|2,0,0]=4 3919 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [1,1,0,0,0,0|2,0,0]=4 3920 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 3921 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 3922 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 3923 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 3924 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 3925 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 3926 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [1,1,0,0,0,0|1,0,1]=4 3927 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [1,1,0,0,0,0|1,0,1]=4 3928 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [1,1,0,0,0,0|1,0,1]=4 3929 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [1,1,0,0,0,0|1,0,1]=4 3930 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [1,1,0,0,0,0|1,0,1]=4 3931 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [1,1,0,0,0,0|1,0,1]=4 3932 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [1,1,0,0,0,0|1,0,1]=4 3933 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [1,1,0,0,0,0|1,0,1]=4 3934 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [1,1,0,0,0,0|1,0,1]=4 3935 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [1,1,0,0,0,0|1,0,1]=4 3936 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [1,1,0,0,0,0|1,0,0]=3 3937 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [1,1,0,0,0,0|1,0,0]=3 3938 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [1,1,0,0,0,0|2,0,0]=4 3939 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [1,1,0,0,0,0|2,0,0]=4 3940 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [1,1,0,0,0,0|2,0,0]=4 3941 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [1,1,0,0,0,0|2,0,0]=4 3942 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [1,1,0,0,0,0|2,0,0]=4 3943 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [1,1,0,0,0,0|2,0,0]=4 3944 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 3945 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 3946 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 3947 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 3948 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [1,1,0,0,0,0|1,0,0]=3 3949 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [1,1,0,0,0,0|2,0,0]=4 3950 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [1,1,0,0,0,0|2,0,0]=4 3951 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [1,1,0,0,0,0|2,0,0]=4 3952 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [1,1,0,0,0,0|2,0,0]=4 3953 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [1,1,0,0,0,0|2,0,0]=4 3954 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 3955 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 3956 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 3957 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [1,1,0,0,0,0|2,0,0]=4 3958 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 3959 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 3960 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 3961 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 3962 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [1,1,0,0,0,0|2,0,0]=4 3963 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [1,1,0,0,0,0|2,0,0]=4 3964 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [1,1,0,0,0,0|1,0,0]=3 3965 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [1,1,0,0,0,0|2,0,0]=4 3966 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [1,1,0,0,0,0|1,0,1]=4 3967 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [1,1,0,0,0,0|1,0,1]=4 3968 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 3969 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 3970 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 3971 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 3972 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 3973 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 3974 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [1,1,0,0,0,0|2,0,0]=4 3975 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [1,1,0,0,0,0|2,0,0]=4 3976 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [1,1,0,0,0,0|2,0,0]=4 3977 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 3978 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 3979 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [1,1,0,0,0,0|2,0,0]=4 3980 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 3981 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 3982 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 3983 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 3984 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [1,1,0,0,0,0|2,0,0]=4 3985 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [1,1,0,0,0,0|2,0,0]=4 3986 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [1,1,0,0,0,0|1,0,0]=3 3987 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [1,1,0,0,0,0|1,0,0]=3 3988 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [1,1,0,0,0,0|1,1,0]=4 3989 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [1,1,0,0,0,0|1,0,1]=4 3990 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [1,1,0,0,0,0|1,0,1]=4 3991 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [1,1,0,0,0,0|1,0,1]=4 3992 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [1,1,0,0,0,0|1,0,1]=4 3993 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [1,1,0,0,0,0|1,0,0]=3 3994 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [1,1,0,0,0,0|1,0,0]=3 3995 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [1,1,0,0,0,0|1,0,0]=3 3996 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [1,1,0,0,0,0|2,0,0]=4 3997 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [1,1,0,0,0,0|2,0,0]=4 3998 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [1,1,0,0,0,0|1,0,0]=3 3999 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [1,1,0,0,0,0|1,0,0]=3 4000 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [1,1,0,0,0,0|1,0,0]=3 4001 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [1,1,0,0,0,0|2,0,0]=4 4002 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [1,1,0,0,0,0|2,0,0]=4 4003 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [1,1,0,0,0,0|1,0,0]=3 4004 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [1,1,0,0,0,0|2,0,0]=4 4005 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [1,1,0,0,0,0|1,0,1]=4 4006 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [1,1,0,0,0,0|1,0,1]=4 4007 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [1,1,0,0,0,0|1,0,1]=4 4008 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [1,1,0,0,0,0|1,0,1]=4 4009 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [1,1,0,0,0,0|1,0,1]=4 4010 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [1,1,0,0,0,0|1,0,1]=4 4011 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [1,1,0,0,0,0|1,0,1]=4 4012 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,1,0,0,0,0|1,0,1]=4 4013 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,1,0,0,0,0|1,0,1]=4 4014 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 4015 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 4016 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 4017 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [1,1,0,0,0,0|1,0,1]=4 4018 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [1,1,0,0,0,0|1,0,1]=4 4019 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [1,1,0,0,0,0|2,0,0]=4 4020 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [1,1,0,0,0,0|2,0,0]=4 4021 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [1,1,0,0,0,0|2,0,0]=4 4022 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [1,1,0,0,0,0|2,0,0]=4 4023 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [1,1,0,0,0,0|1,0,1]=4 4024 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [1,1,0,0,0,0|1,0,1]=4 4025 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,1,0,0,0,0|1,0,0]=3 4026 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,1,0,0,0,0|1,0,0]=3 4027 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,1,0,0,0,0|1,0,0]=3 4028 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [1,1,0,0,0,0|2,0,0]=4 4029 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [1,1,0,0,0,0|2,0,0]=4 4030 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,1,0,0,0,0|2,0,0]=4 4031 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [1,1,0,0,0,0|2,0,0]=4 4032 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [1,1,0,0,0,0|2,0,0]=4 4033 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [1,1,0,0,0,0|2,0,0]=4 4034 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [1,1,0,0,0,0|2,0,0]=4 4035 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [1,1,0,0,0,0|2,0,0]=4 4036 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [1,1,0,0,0,0|2,0,0]=4 4037 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [1,1,0,0,0,0|2,0,0]=4 4038 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [1,1,0,0,0,0|2,0,0]=4 4039 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [1,1,0,0,0,0|2,0,0]=4 4040 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [1,1,0,0,0,0|2,0,0]=4 4041 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [1,1,0,0,0,0|1,0,1]=4 4042 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [1,1,0,0,0,0|1,0,1]=4 4043 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,1,0,0,0,0|1,0,0]=3 4044 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,1,0,0,0,0|1,0,0]=3 4045 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,1,0,0,0,0|1,0,0]=3 4046 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [1,1,0,0,0,0|2,0,0]=4 4047 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [1,1,0,0,0,0|2,0,0]=4 4048 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [1,1,0,0,0,0|2,0,0]=4 4049 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [1,1,0,0,0,0|2,0,0]=4 4050 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [1,1,0,0,0,0|2,0,0]=4 4051 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [1,1,0,0,0,0|2,0,0]=4 4052 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [1,1,0,0,0,0|2,0,0]=4 4053 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [1,1,0,0,0,0|2,0,0]=4 4054 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [1,1,0,0,0,0|2,0,0]=4 4055 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [1,1,0,0,0,0|2,0,0]=4 4056 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 4057 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 4058 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [1,1,0,0,0,0|2,0,0]=4 4059 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 4060 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 4061 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 4062 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 4063 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [1,1,0,0,0,0|2,0,0]=4 4064 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [1,1,0,0,0,0|2,0,0]=4 4065 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 4066 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 4067 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 4068 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 4069 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 4070 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 4071 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 4072 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [1,1,0,0,0,0|2,0,0]=4 4073 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 4074 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [1,1,0,0,0,0|2,0,0]=4 4075 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 4076 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [1,1,0,0,0,0|0,0,1]=3 4077 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [1,1,0,0,0,0|0,0,1]=3 4078 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [1,1,0,0,0,0|1,0,0]=3 4079 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [1,1,0,0,0,0|1,0,0]=3 4080 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [1,1,0,0,0,0|1,0,0]=3 4081 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [1,1,0,0,0,0|1,0,0]=3 4082 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [1,1,0,0,0,0|1,0,0]=3 4083 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [1,1,0,0,0,0|1,0,0]=3 4084 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [1,1,0,0,0,0|1,0,1]=4 4085 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [1,1,0,0,0,0|1,0,0]=3 4086 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [1,1,0,0,0,0|1,0,0]=3 4087 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [1,1,0,0,0,0|1,0,0]=3 4088 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [1,1,0,0,0,0|1,0,0]=3 4089 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [1,1,0,0,0,0|1,0,0]=3 4090 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [1,1,0,0,0,0|1,0,1]=4 4091 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [1,1,0,0,0,0|1,0,1]=4 4092 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [1,1,0,0,0,0|1,0,1]=4 4093 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [1,1,0,0,0,0|1,0,1]=4 4094 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [1,1,0,0,0,0|1,0,1]=4 4095 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [1,1,0,0,0,0|2,0,0]=4 4096 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [1,1,0,0,0,0|2,0,0]=4 4097 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [1,1,0,0,0,0|2,0,0]=4 4098 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [1,1,0,0,0,0|2,0,0]=4 4099 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [1,1,0,0,0,0|2,0,0]=4 4100 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [1,1,0,0,0,0|1,0,1]=4 4101 B9R0.66 CCCCS(=O)(=O)NCC 270084a_100015525214_100000212082 [1,1,0,0,0,0|2,0,0]=4 4102 B9R0.66 CCCCS(=O)(=O)NCC 274078a_100015525214_100000212082 [1,1,0,0,0,0|2,0,0]=4 4103 B9R0.66 CCCCS(=O)(=O)NCC 40a_100015525214_100000054263 [1,1,0,0,0,0|2,0,0]=4 4104 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [1,1,0,0,0,0|2,0,0]=4 4105 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [1,1,0,0,0,0|2,0,0]=4 4106 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [1,1,0,0,0,0|2,0,0]=4 4107 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [1,1,0,0,0,0|2,0,0]=4 4108 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [1,1,0,0,0,0|1,0,0]=3 4109 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 4110 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 4111 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 4112 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 4113 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [1,1,0,0,0,0|2,0,0]=4 4114 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [1,1,0,0,0,0|1,0,0]=3 4115 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [1,1,0,0,0,0|1,0,1]=4 4116 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 4117 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 4118 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [1,1,0,0,0,0|1,0,0]=3 4119 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [1,1,0,0,0,0|2,0,0]=4 4120 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [1,1,0,0,0,0|2,0,0]=4 4121 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [1,1,0,0,0,0|2,0,0]=4 4122 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [1,1,0,0,0,0|2,0,0]=4 4123 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [1,1,0,0,0,0|2,0,0]=4 4124 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [1,1,0,0,0,0|2,0,0]=4 4125 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [1,1,0,0,0,0|1,0,0]=3 4126 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [1,1,0,0,0,0|1,0,1]=4 4127 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [1,1,0,0,0,0|1,0,1]=4 4128 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [1,1,0,0,0,0|1,0,1]=4 4129 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [1,1,0,0,0,0|1,0,1]=4 4130 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [1,1,0,0,0,0|1,0,1]=4 4131 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [1,1,0,0,0,0|1,0,1]=4 4132 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [1,1,0,0,0,0|1,0,0]=3 4133 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [1,1,0,0,0,0|1,0,0]=3 4134 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [1,1,0,0,0,0|1,0,1]=4 4135 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [1,1,0,0,0,0|1,0,0]=3 4136 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [1,1,0,0,0,0|1,0,0]=3 4137 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [1,1,0,0,0,0|2,0,0]=4 4138 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [1,1,0,0,0,0|2,0,0]=4 4139 B9R0.14 C#CC(CC(C)C)OCC 34a_100011215986_100000210202 [1,1,0,0,0,0|1,0,1]=4 4140 B9R0.14 C#CC(CC(C)C)OCC 7a_100011215986_100000210202 [1,1,0,0,0,0|1,0,1]=4 4141 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [1,1,0,0,0,0|1,0,1]=4 4142 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [1,1,0,0,0,0|1,0,1]=4 4143 B9R0.14 CCOC(C#N)CC(C)C 34a_200011294978_100000210202 [1,1,0,0,0,0|1,0,1]=4 4144 B9R0.14 CCOC(C#N)CC(C)C 7a_200011294978_100000210202 [1,1,0,0,0,0|1,0,1]=4 4145 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [1,1,0,0,0,0|1,0,1]=4 4146 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [1,1,0,0,0,0|2,0,0]=4 4147 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [1,1,0,0,0,0|2,0,0]=4 4148 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [1,1,0,0,0,0|1,0,0]=3 4149 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [1,1,0,0,0,0|1,0,0]=3 4150 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [1,1,0,0,0,0|2,0,0]=4 4151 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [1,1,0,0,0,0|2,0,0]=4 4152 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [1,1,0,0,0,0|2,0,0]=4 4153 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [1,1,0,0,0,0|2,0,0]=4 4154 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [1,1,0,0,0,0|2,0,0]=4 4155 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [1,1,0,0,0,0|2,0,0]=4 4156 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [1,1,0,0,0,0|2,0,0]=4 4157 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [1,1,0,0,0,0|2,0,0]=4 4158 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [1,1,0,0,0,0|1,0,0]=3 4159 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [1,1,0,0,0,0|2,0,0]=4 4160 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [1,1,0,0,0,0|2,0,0]=4 4161 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [1,1,0,0,0,0|1,0,0]=3 4162 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [1,1,0,0,0,0|1,0,0]=3 4163 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [1,1,0,0,0,0|1,0,0]=3 4164 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [1,1,0,0,0,0|1,0,0]=3 4165 B9R0.23 CCN(C)C(=O)CN(C)C 11a_100000225621_100000750896 [1,1,0,0,0,0|2,0,0]=4 4166 B9R0.23 CCN(C)C(=O)CN(C)C 2230a_100102631434_100000738999 [1,1,0,0,0,0|2,0,0]=4 4167 B9R0.23 CCN(C)C(=O)CN(C)C 240690a_100000225621_100000750896 [1,1,0,0,0,0|2,0,0]=4 4168 B9R0.23 CCN(C)C(=O)CN(C)C 269982a_100102631434_100000738999 [1,1,0,0,0,0|2,0,0]=4 4169 B9R0.23 CCN(C)C(=O)CN(C)C 527a_100000225621_100000750896 [1,1,0,0,0,0|2,0,0]=4 4170 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [1,1,0,0,0,0|2,0,0]=4 4171 B9R0.23 CCN(C)C(=O)C[S+](C)C 11a_100000225621_200159257847 [1,1,0,0,0,0|2,0,0]=4 4172 B9R0.23 CCN(C)C(=O)C[S+](C)C 1626a_100000225621_200159257847 [1,1,0,0,0,0|2,0,0]=4 4173 B9R0.23 CCN(C)C(=O)C[S+](C)C 240690a_100000225621_200159257847 [1,1,0,0,0,0|2,0,0]=4 4174 B9R0.23 CCN(C)C(=O)C[S+](C)C 527a_100000225621_200159257847 [1,1,0,0,0,0|2,0,0]=4 4175 B9R0.23 CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225621 [1,1,0,0,0,0|2,0,0]=4 4176 B9R0.23 CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225621 [1,1,0,0,0,0|2,0,0]=4 4177 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [1,1,0,0,0,0|2,0,0]=4 4178 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [1,1,0,0,0,0|2,0,0]=4 4179 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [1,1,0,0,0,0|2,0,0]=4 4180 B9R0.44 CC(C)(C)CC(=O)CCF 1458a_100000211214_100011217306 [1,1,0,0,0,0|2,0,0]=4 4181 B9R0.44 CC(C)(C)CC(=O)CCO 1458a_100000211214_100000211926 [1,1,0,0,0,0|2,0,0]=4 4182 B9R0.44 CC(C)(O)CC(=O)CCF 1458a_100000693243_100011217306 [1,1,0,0,0,0|2,0,0]=4 4183 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [1,1,0,0,0,0|2,0,0]=4 4184 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [1,1,0,0,0,0|1,0,0]=3 4185 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [1,1,0,0,0,0|1,0,0]=3 4186 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [1,1,0,0,0,0|2,0,0]=4 4187 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [1,1,0,0,0,0|1,1,0]=4 4188 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [1,1,0,0,0,0|1,1,0]=4 4189 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [1,1,0,0,0,0|2,0,0]=4 4190 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [1,1,0,0,0,0|2,0,0]=4 4191 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [1,1,0,0,0,0|2,0,0]=4 4192 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [1,1,0,0,0,0|2,0,0]=4 4193 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [1,1,0,0,0,0|1,0,0]=3 4194 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [1,1,0,0,0,0|1,0,0]=3 4195 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [1,1,0,0,0,0|1,0,0]=3 4196 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [1,1,0,0,0,0|1,0,0]=3 4197 B9R0.44 CCNC(=O)C[N+](C)(C)C 11a_100015525214_100000033712 [1,1,0,0,0,0|2,0,0]=4 4198 B9R0.44 CCNC(=O)C[N+](C)(C)C 240690a_100015525214_100000033712 [1,1,0,0,0,0|2,0,0]=4 4199 B9R0.44 CCNC(=O)C[N+](C)(C)C 527a_100015525214_100000033712 [1,1,0,0,0,0|2,0,0]=4 4200 B9R0.44 CCNC(=O)C[Si](C)(C)C 11a_100015525214_100011218504 [1,1,0,0,0,0|1,1,0]=4 4201 B9R0.44 CCNC(=O)NC(C)(C)C 2708a_100015525214_100000715429 [1,1,0,0,0,0|2,0,0]=4 4202 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100000715429_100015525214 [1,1,0,0,0,0|2,0,0]=4 4203 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100015525214_100000715429 [1,1,0,0,0,0|2,0,0]=4 4204 B9R0.44 CCNC(=O)NC(C)(C)C 512a_100000715429_100015525214 [1,1,0,0,0,0|2,0,0]=4 4205 B9R0.44 CCOC(C)CC(C)(C)C 7a_200011218616_100000210202 [1,1,0,0,0,0|1,0,1]=4 4206 B9R0.44 CNNC(=O)CC(C)(C)C 22a_100016993582_100000211214 [1,1,0,0,0,0|2,0,0]=4 4207 B9R0.44 CNNC(=O)CC(C)(C)O 22a_100016993582_100000693243 [1,1,0,0,0,0|2,0,0]=4 4208 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [1,1,0,0,0,0|1,0,1]=4 4209 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [1,1,0,0,0,0|1,0,1]=4 4210 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [1,1,0,0,0,0|1,0,1]=4 4211 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [1,1,0,0,0,0|1,0,1]=4 4212 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [1,1,0,0,0,0|1,0,1]=4 4213 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [1,1,0,0,0,0|1,0,0]=3 4214 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [1,1,0,0,0,0|1,0,0]=3 4215 B9R0.53 CC(C)CC(=O)CC(F)F 1458a_100000210554_100011934356 [1,1,0,0,0,0|2,0,0]=4 4216 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [1,1,0,0,0,0|2,0,0]=4 4217 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [1,1,0,0,0,0|1,0,0]=3 4218 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [1,1,0,0,0,0|2,0,0]=4 4219 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [1,1,0,0,0,0|1,0,0]=3 4220 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [1,1,0,0,0,0|1,0,0]=3 4221 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [1,1,0,0,0,0|1,0,0]=3 4222 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [1,1,0,0,0,0|1,0,0]=3 4223 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [1,1,0,0,0,0|1,0,1]=4 4224 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [1,1,0,0,0,0|1,0,1]=4 4225 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [1,1,0,0,0,0|1,0,1]=4 4226 B9R0.53 CC(C)NC(=O)CN(C)C 11a_100138425928_100000750896 [1,1,0,0,0,0|2,0,0]=4 4227 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100000168146_200000210301 [1,1,0,0,0,0|2,0,0]=4 4228 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100102631434_100000183996 [1,1,0,0,0,0|2,0,0]=4 4229 B9R0.53 CC(C)NC(=O)CN(C)C 240690a_100138425928_100000750896 [1,1,0,0,0,0|2,0,0]=4 4230 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100000168146_200000210301 [1,1,0,0,0,0|2,0,0]=4 4231 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100102631434_100000183996 [1,1,0,0,0,0|2,0,0]=4 4232 B9R0.53 CC(C)NC(=O)CN(C)C 527a_100138425928_100000750896 [1,1,0,0,0,0|2,0,0]=4 4233 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 2230a_100000168146_200025704644 [1,1,0,0,0,0|2,0,0]=4 4234 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 269982a_100000168146_200025704644 [1,1,0,0,0,0|2,0,0]=4 4235 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [1,1,0,0,0,0|2,0,0]=4 4236 B9R0.53 CC(C)NC(=O)C[S+](C)C 11a_100138425928_200159257847 [1,1,0,0,0,0|2,0,0]=4 4237 B9R0.53 CC(C)NC(=O)C[S+](C)C 1626a_100138425928_200159257847 [1,1,0,0,0,0|2,0,0]=4 4238 B9R0.53 CC(C)NC(=O)C[S+](C)C 240690a_100138425928_200159257847 [1,1,0,0,0,0|2,0,0]=4 4239 B9R0.53 CC(C)NC(=O)C[S+](C)C 527a_100138425928_200159257847 [1,1,0,0,0,0|2,0,0]=4 4240 B9R0.53 CC(C)NC(=O)NC(C)C 2708a_100138425928_100138425928 [1,1,0,0,0,0|2,0,0]=4 4241 B9R0.53 CC(C)NC(=O)NC(C)C 512a_100138425928_100138425928 [1,1,0,0,0,0|2,0,0]=4 4242 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [1,1,0,0,0,0|1,0,0]=3 4243 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [1,1,0,0,0,0|1,0,0]=3 4244 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [1,1,0,0,0,0|2,0,0]=4 4245 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [1,1,0,0,0,0|2,0,0]=4 4246 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [1,1,0,0,0,0|2,0,0]=4 4247 B9R0.58 CCNS(=O)(=O)CC(C)C 270084a_100015525214_100000748289 [1,1,0,0,0,0|2,0,0]=4 4248 B9R0.58 CCNS(=O)(=O)CC(C)C 274078a_100015525214_100000748289 [1,1,0,0,0,0|2,0,0]=4 4249 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [1,1,0,0,0,0|1,0,1]=4 4250 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [1,1,0,0,0,0|0,0,1]=3 4251 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [1,1,0,0,0,0|2,0,0]=4 4252 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [1,1,0,0,0,0|2,0,0]=4 4253 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [1,1,0,0,0,0|2,0,0]=4 4254 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [1,1,0,0,0,0|2,0,0]=4 4255 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [1,1,0,0,0,0|2,0,0]=4 4256 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [1,1,0,0,0,0|2,0,0]=4 4257 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [1,1,0,0,0,0|2,0,0]=4 4258 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [1,1,0,0,0,0|2,0,0]=4 4259 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [1,1,0,0,0,0|2,0,0]=4 4260 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [1,1,0,0,0,0|2,0,0]=4 4261 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [1,1,0,0,0,0|2,0,0]=4 4262 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [1,1,0,0,0,0|2,0,0]=4 4263 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [1,1,0,0,0,0|2,0,0]=4 4264 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [1,1,0,0,0,0|2,0,0]=4 4265 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [1,1,0,0,0,0|2,0,0]=4 4266 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [1,1,0,0,0,0|2,0,0]=4 4267 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [1,1,0,0,0,0|2,0,0]=4 4268 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [1,1,0,0,0,0|2,0,0]=4 4269 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [1,1,0,0,0,0|2,0,0]=4 4270 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [1,1,0,0,0,0|2,0,0]=4 4271 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [1,1,0,0,0,0|2,0,0]=4 4272 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [1,1,0,0,0,0|1,0,1]=4 4273 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [1,1,0,0,0,0|1,0,1]=4 4274 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [1,1,0,0,0,0|1,0,1]=4 4275 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [1,1,0,0,0,0|1,0,1]=4 4276 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [1,1,0,0,0,0|1,0,1]=4 4277 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [1,1,0,0,0,0|2,0,0]=4 4278 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [1,1,0,0,0,0|2,0,0]=4 4279 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [1,1,0,0,0,0|2,0,0]=4 4280 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [1,1,0,0,0,0|2,0,0]=4 4281 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [1,1,0,0,0,0|2,0,0]=4 4282 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [1,1,0,0,0,0|2,0,0]=4 4283 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [1,1,0,0,0,0|2,0,0]=4 4284 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [1,1,0,0,0,0|2,0,0]=4 4285 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [1,1,0,0,0,0|2,0,0]=4 4286 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [1,1,0,0,0,0|2,0,0]=4 4287 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [1,1,0,0,0,0|2,0,0]=4 4288 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [1,1,0,0,0,0|2,0,0]=4 4289 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [1,1,0,0,0,0|2,0,0]=4 4290 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [1,1,0,0,0,0|2,0,0]=4 4291 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [1,1,0,0,0,0|2,0,0]=4 4292 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [1,1,0,0,0,0|2,0,0]=4 4293 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [1,1,0,0,0,0|2,0,0]=4 4294 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [1,1,0,0,0,0|2,0,0]=4 4295 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [1,1,0,0,0,0|1,0,1]=4 4296 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [1,1,0,0,0,0|1,0,1]=4 4297 B9R0.20 CCCOCC(C)(C)CC 7a_100000765029_100000210303 [1,1,0,0,0,0|2,0,0]=4 4298 B9R0.20 CCOCCC(C)(C)OC 7a_100000699976_100000210202 [1,1,0,0,0,0|1,0,1]=4 4299 B9R0.20 CCOCSC(C)(C)CC 62a_100000032637_100000739092 [1,1,0,0,0,0|1,0,1]=4 4300 B9R0.20 CCOCSC(C)(C)CC 62a_100000739092_100000032637 [1,1,0,0,0,0|1,0,1]=4 4301 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,1,0,0,0,0|1,0,1]=4 4302 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [1,1,0,0,0,0|2,0,0]=4 4303 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [1,1,0,0,0,0|2,0,0]=4 4304 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [1,1,0,0,0,0|2,0,0]=4 4305 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [1,1,0,0,0,0|2,0,0]=4 4306 B9R0.24 CCC(C)CNC(C)CC 2230a_100000209981_100000748023 [1,1,0,0,0,0|2,0,0]=4 4307 B9R0.24 CCC(C)CNC(C)CC 2230a_100020588543_100000758301 [1,1,0,0,0,0|2,0,0]=4 4308 B9R0.24 CCC(C)CNC(C)CC 270004a_100000209981_100000243153 [1,1,0,0,0,0|2,0,0]=4 4309 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [1,1,0,0,0,0|2,0,0]=4 4310 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [1,1,0,0,0,0|2,0,0]=4 4311 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [1,1,0,0,0,0|2,0,0]=4 4312 B9R0.24 CCC(C)NC[C@@H](C)CC 2230a_100000209981_100009816398 [1,1,0,0,0,0|2,0,0]=4 4313 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [1,1,0,0,0,0|2,0,0]=4 4314 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [1,1,0,0,0,0|2,0,0]=4 4315 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [1,1,0,0,0,0|2,0,0]=4 4316 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [1,1,0,0,0,0|2,0,0]=4 4317 B9R0.46 C#CCOCCC(C)CC 7a_100011215188_100000038162 [1,1,0,0,0,0|0,0,2]=4 4318 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [1,1,0,0,0,0|0,0,2]=4 4319 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [1,1,0,0,0,0|2,0,0]=4 4320 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [1,1,0,0,0,0|2,0,0]=4 4321 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [1,1,0,0,0,0|1,0,0]=3 4322 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [1,1,0,0,0,0|2,0,0]=4 4323 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [1,1,0,0,0,0|1,0,0]=3 4324 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [1,1,0,0,0,0|1,0,0]=3 4325 B9R0.46 CC/C=C\COC(C)CF 34a_100016041109_100103147603 [1,1,0,0,0,0|2,0,0]=4 4326 B9R0.46 CC/C=C\COC(C)CF 7a_100016041109_100103147603 [1,1,0,0,0,0|2,0,0]=4 4327 B9R0.46 CC/C=C\COC(C)CN 34a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 4328 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [1,1,0,0,0,0|2,0,0]=4 4329 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [1,1,0,0,0,0|1,0,0]=3 4330 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [1,1,0,0,0,0|1,0,0]=3 4331 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [1,1,0,0,0,0|2,0,0]=4 4332 B9R0.46 CC/C=C\CSC(C)OC 62a_100009879195_100103147603 [1,1,0,0,0,0|2,0,0]=4 4333 B9R0.46 CC/C=C\CSC(C)OC 62a_100103147603_100009879195 [1,1,0,0,0,0|2,0,0]=4 4334 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [1,1,0,0,0,0|2,0,0]=4 4335 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [1,1,0,0,0,0|2,0,0]=4 4336 B9R0.46 CCC#CCNC(C)CC 2230a_100000209981_100009813939 [1,1,0,0,0,0|1,0,1]=4 4337 B9R0.46 CCC#CCOC(C)CC 34a_100000032950_100011215416 [1,1,0,0,0,0|1,0,1]=4 4338 B9R0.46 CCC#CCOC(C)CC 7a_100000210228_100009813939 [1,1,0,0,0,0|1,0,1]=4 4339 B9R0.46 CCC#CCSC(C)CC 62a_100000758301_100009813939 [1,1,0,0,0,0|1,0,1]=4 4340 B9R0.46 CCC#CCSC(C)CC 62a_100009813939_100000758301 [1,1,0,0,0,0|1,0,1]=4 4341 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [1,1,0,0,0,0|1,0,1]=4 4342 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [1,1,0,0,0,0|1,0,1]=4 4343 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [1,1,0,0,0,0|1,0,1]=4 4344 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [1,1,0,0,0,0|1,0,1]=4 4345 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [1,1,0,0,0,0|1,0,1]=4 4346 B9R0.46 CCC(C)CCOCC#N 7a_100011215188_100011215382 [1,1,0,0,0,0|0,0,2]=4 4347 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [1,1,0,0,0,0|0,0,2]=4 4348 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [1,1,0,0,0,0|0,0,1]=3 4349 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,1,0,0,0,0|0,0,1]=3 4350 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [1,1,0,0,0,0|2,0,0]=4 4351 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [1,1,0,0,0,0|2,0,0]=4 4352 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [1,1,0,0,0,0|2,0,0]=4 4353 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [1,1,0,0,0,0|2,0,0]=4 4354 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [1,1,0,0,0,0|2,0,0]=4 4355 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [1,1,0,0,0,0|2,0,0]=4 4356 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [1,1,0,0,0,0|2,0,0]=4 4357 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [1,1,0,0,0,0|2,0,0]=4 4358 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [1,1,0,0,0,0|2,0,0]=4 4359 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [1,1,0,0,0,0|2,0,0]=4 4360 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [1,1,0,0,0,0|2,0,0]=4 4361 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [1,1,0,0,0,0|2,0,0]=4 4362 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [1,1,0,0,0,0|2,0,0]=4 4363 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [1,1,0,0,0,0|2,0,0]=4 4364 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [1,1,0,0,0,0|2,0,0]=4 4365 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [1,1,0,0,0,0|2,0,0]=4 4366 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [1,1,0,0,0,0|2,0,0]=4 4367 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [1,1,0,0,0,0|2,0,0]=4 4368 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [1,1,0,0,0,0|2,0,0]=4 4369 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [1,1,0,0,0,0|2,0,0]=4 4370 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [1,1,0,0,0,0|2,0,0]=4 4371 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [1,1,0,0,0,0|2,0,0]=4 4372 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [1,1,0,0,0,0|2,0,0]=4 4373 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [1,1,0,0,0,0|2,0,0]=4 4374 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [1,1,0,0,0,0|2,0,0]=4 4375 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [1,1,0,0,0,0|2,0,0]=4 4376 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [1,1,0,0,0,0|2,0,0]=4 4377 B9R0.46 CCCC=NNC(C)CC 4a_100000718999_100000185831 [1,1,0,0,0,0|2,0,0]=4 4378 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,1,0,0,0,0|1,0,1]=4 4379 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,1,0,0,0,0|1,0,1]=4 4380 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|1,0,1]=4 4381 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|1,0,1]=4 4382 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|1,0,1]=4 4383 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,1,0,0,0,0|1,0,1]=4 4384 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,1,0,0,0,0|1,0,1]=4 4385 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [1,1,0,0,0,0|1,0,1]=4 4386 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [1,1,0,0,0,0|1,0,1]=4 4387 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [1,1,0,0,0,0|1,0,1]=4 4388 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [1,1,0,0,0,0|1,0,1]=4 4389 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [1,1,0,0,0,0|1,0,1]=4 4390 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [1,1,0,0,0,0|1,0,1]=4 4391 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,1,0,0,0,0|1,0,1]=4 4392 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,1,0,0,0,0|1,0,1]=4 4393 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,1,0,0,0,0|1,0,1]=4 4394 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,1,0,0,0,0|1,0,1]=4 4395 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,1,0,0,0,0|1,0,1]=4 4396 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [1,1,0,0,0,0|1,0,1]=4 4397 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [1,1,0,0,0,0|1,0,1]=4 4398 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [1,1,0,0,0,0|1,0,1]=4 4399 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [1,1,0,0,0,0|1,0,1]=4 4400 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,1,0,0,0,0|1,0,1]=4 4401 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|0,0,1]=3 4402 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [1,1,0,0,0,0|1,0,1]=4 4403 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [1,1,0,0,0,0|1,0,1]=4 4404 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [1,1,0,0,0,0|1,0,1]=4 4405 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [1,1,0,0,0,0|1,0,1]=4 4406 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [1,1,0,0,0,0|1,0,1]=4 4407 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [1,1,0,0,0,0|1,0,1]=4 4408 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [1,1,0,0,0,0|1,0,1]=4 4409 B9R0.46 CCNN=CCC(C)SC 4a_100000756455_100000036020 [1,1,0,0,0,0|2,0,0]=4 4410 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|0,0,1]=3 4411 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [1,1,0,0,0,0|1,0,1]=4 4412 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [1,1,0,0,0,0|1,0,1]=4 4413 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,1,0,0,0,0|1,0,1]=4 4414 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [1,1,0,0,0,0|0,0,1]=3 4415 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [1,1,0,0,0,0|0,0,1]=3 4416 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [1,1,0,0,0,0|0,0,1]=3 4417 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [1,1,0,0,0,0|1,0,1]=4 4418 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [1,1,0,0,0,0|1,0,1]=4 4419 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [1,1,0,0,0,0|1,0,1]=4 4420 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,1,0,0,0,0|0,0,1]=3 4421 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,1,0,0,0,0|0,0,1]=3 4422 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,1,0,0,0,0|0,0,1]=3 4423 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [1,1,0,0,0,0|1,0,1]=4 4424 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [1,1,0,0,0,0|1,0,1]=4 4425 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [1,1,0,0,0,0|1,0,1]=4 4426 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [1,1,0,0,0,0|1,0,1]=4 4427 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [1,1,0,0,0,0|1,0,1]=4 4428 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [1,1,0,0,0,0|0,0,1]=3 4429 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [1,1,0,0,0,0|0,0,1]=3 4430 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [1,1,0,0,0,0|1,0,1]=4 4431 B9R0.46 CCOCCSC(C)OC 62a_100000210147_100009879195 [1,1,0,0,0,0|1,0,1]=4 4432 B9R0.46 CCOCCSC(C)OC 62a_100009879195_100011215890 [1,1,0,0,0,0|1,0,1]=4 4433 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [1,1,0,0,0,0|1,0,1]=4 4434 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [1,1,0,0,0,0|1,0,1]=4 4435 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [1,1,0,0,0,0|0,0,1]=3 4436 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [1,1,0,0,0,0|0,0,1]=3 4437 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [1,1,0,0,0,0|1,0,1]=4 4438 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [1,1,0,0,0,0|1,0,1]=4 4439 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [1,1,0,0,0,0|0,0,1]=3 4440 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [1,1,0,0,0,0|0,0,1]=3 4441 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [1,1,0,0,0,0|1,0,1]=4 4442 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [1,1,0,0,0,0|1,0,1]=4 4443 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [1,1,0,0,0,0|0,1,1]=4 4444 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [1,1,0,0,0,0|0,1,1]=4 4445 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [1,1,0,0,0,0|0,1,1]=4 4446 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [1,1,0,0,0,0|0,1,1]=4 4447 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [1,1,0,0,0,0|0,1,1]=4 4448 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [1,1,0,0,0,0|0,1,1]=4 4449 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [1,1,0,0,0,0|0,1,1]=4 4450 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [1,1,0,0,0,0|2,0,0]=4 4451 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [1,1,0,0,0,0|2,0,0]=4 4452 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [1,1,0,0,0,0|2,0,0]=4 4453 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [1,1,0,0,0,0|2,0,0]=4 4454 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [1,1,0,0,0,0|2,0,0]=4 4455 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [1,1,0,0,0,0|2,0,0]=4 4456 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [1,1,0,0,0,0|2,0,0]=4 4457 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [1,1,0,0,0,0|2,0,0]=4 4458 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [1,1,0,0,0,0|2,0,0]=4 4459 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [1,1,0,0,0,0|2,0,0]=4 4460 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [1,1,0,0,0,0|2,0,0]=4 4461 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [1,1,0,0,0,0|2,0,0]=4 4462 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [1,1,0,0,0,0|2,0,0]=4 4463 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [1,1,0,0,0,0|2,0,0]=4 4464 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [1,1,0,0,0,0|2,0,0]=4 4465 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [1,1,0,0,0,0|2,0,0]=4 4466 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [1,1,0,0,0,0|2,0,0]=4 4467 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [1,1,0,0,0,0|2,0,0]=4 4468 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [1,1,0,0,0,0|2,0,0]=4 4469 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [1,1,0,0,0,0|2,0,0]=4 4470 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [1,1,0,0,0,0|2,0,0]=4 4471 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [1,1,0,0,0,0|2,0,0]=4 4472 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [1,1,0,0,0,0|2,0,0]=4 4473 B9R0.46 COC(C)CCOCCF 7a_100000764861_100011217306 [1,1,0,0,0,0|1,0,1]=4 4474 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [1,1,0,0,0,0|1,0,1]=4 4475 B9R0.47 CC/C=C\CN(C)C(C)C 269982a_200000211004_100103147603 [1,1,0,0,0,0|2,0,0]=4 4476 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [1,1,0,0,0,0|1,0,1]=4 4477 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [1,1,0,0,0,0|1,0,1]=4 4478 B9R0.47 CCOCCN(C)C(C)C 269982a_200000211004_100011215890 [1,1,0,0,0,0|1,0,1]=4 4479 B9R0.50 CC/C=C\CN(CC)CC 2230a_100000724800_100103147603 [1,1,0,0,0,0|2,0,0]=4 4480 B9R0.50 CC/C=C\CN(CC)CC 269956a_100000042499_100103147603 [1,1,0,0,0,0|2,0,0]=4 4481 B9R0.50 CC/C=C\CN(CC)CC 269982a_100000724800_100103147603 [1,1,0,0,0,0|2,0,0]=4 4482 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [1,1,0,0,0,0|1,0,1]=4 4483 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [1,1,0,0,0,0|1,0,1]=4 4484 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [1,1,0,0,0,0|1,0,1]=4 4485 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [1,1,0,0,0,0|1,0,1]=4 4486 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [1,1,0,0,0,0|1,0,1]=4 4487 B9R0.50 CCCNCC(CC)CC 2230a_100102946423_100000210303 [1,1,0,0,0,0|2,0,0]=4 4488 B9R0.50 CCCNCC(CC)CC 269862a_100020643023_100000211137 [1,1,0,0,0,0|2,0,0]=4 4489 B9R0.50 CCCNCC(CC)CC 270004a_100020643023_100000211137 [1,1,0,0,0,0|2,0,0]=4 4490 B9R0.50 CCCOCC(CC)CC 34a_100000210258_100011215472 [1,1,0,0,0,0|2,0,0]=4 4491 B9R0.50 CCCOCC(CC)CC 7a_100000703878_100000210303 [1,1,0,0,0,0|2,0,0]=4 4492 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [1,1,0,0,0,0|2,0,0]=4 4493 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [1,1,0,0,0,0|2,0,0]=4 4494 B9R0.50 CCCSCC(CC)CC 62a_100000210303_100011215472 [1,1,0,0,0,0|2,0,0]=4 4495 B9R0.50 CCCSCC(CC)CC 62a_100011215472_100000210303 [1,1,0,0,0,0|2,0,0]=4 4496 B9R0.50 CCOCCC(OC)OC 34a_100121572206_100000139399 [1,1,0,0,0,0|1,0,1]=4 4497 B9R0.50 CCOCCN(CC)CC 2230a_100000724800_100011215890 [1,1,0,0,0,0|1,0,1]=4 4498 B9R0.50 CCOCCN(CC)CC 269956a_100000042499_100000210147 [1,1,0,0,0,0|1,0,1]=4 4499 B9R0.50 CCOCCN(CC)CC 269982a_100000724800_100011215890 [1,1,0,0,0,0|1,0,1]=4 4500 B9R0.50 CCOCCN(CC)CC 7a_100016990331_100000210202 [1,1,0,0,0,0|1,0,1]=4 4501 B9R0.50 CCOCSC(CC)CC 62a_100000210505_100000739092 [1,1,0,0,0,0|1,0,1]=4 4502 B9R0.50 CCOCSC(CC)CC 62a_100000739092_100000210505 [1,1,0,0,0,0|1,0,1]=4 4503 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [1,1,0,0,0,0|0,0,0]=2 4504 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [1,1,0,0,0,0|0,0,0]=2 4505 B9R0.22 CCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210202 [1,1,0,0,0,0|2,0,0]=4 4506 B9R0.22 CCC(=O)NC(C)(C)CC 11a_100000211385_100000210414 [1,1,0,0,0,0|1,0,0]=3 4507 B9R0.22 CCC(=O)NC(C)(C)CC 1626a_100000211385_100000210414 [1,1,0,0,0,0|1,0,0]=3 4508 B9R0.22 CCC(=O)NC(C)(C)CC 240690a_100000211385_100000210414 [1,1,0,0,0,0|1,0,0]=3 4509 B9R0.22 CCC(=O)NC(C)(C)CC 527a_100000211385_100000210414 [1,1,0,0,0,0|1,0,0]=3 4510 B9R0.22 CCC(=O)NC(C)(C)CO 240690a_100000210608_100000210414 [1,1,0,0,0,0|2,0,0]=4 4511 B9R0.22 CCC(=O)NC(C)(C)CO 527a_100020618417_100000210414 [1,1,0,0,0,0|2,0,0]=4 4512 B9R0.22 CCC(C)(C)CC(=O)CF 1458a_200000763500_100015361967 [1,1,0,0,0,0|1,0,0]=3 4513 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [1,1,0,0,0,0|1,0,0]=3 4514 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [1,1,0,0,0,0|1,0,0]=3 4515 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [1,1,0,0,0,0|1,0,0]=3 4516 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [1,1,0,0,0,0|1,0,0]=3 4517 B9R0.22 CCC(C)(C)NC(=O)CO 240690a_100000211385_100000210174 [1,1,0,0,0,0|2,0,0]=4 4518 B9R0.22 CCC(C)(C)NC(=O)CO 527a_100000211385_100000210174 [1,1,0,0,0,0|2,0,0]=4 4519 B9R0.22 CCC(C)(C)NC(=O)NC 2708a_100102657272_100000211385 [1,1,0,0,0,0|2,0,0]=4 4520 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100000211385_100102657272 [1,1,0,0,0,0|2,0,0]=4 4521 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100102657272_100000211385 [1,1,0,0,0,0|2,0,0]=4 4522 B9R0.22 CCC(C)(C)NC(=O)NC 512a_100000211385_100102657272 [1,1,0,0,0,0|2,0,0]=4 4523 B9R0.22 CCC(C)(C)NC(=O)NC 512a_106832991638_100000211385 [1,1,0,0,0,0|2,0,0]=4 4524 B9R0.22 CCC(C)(O)CC(=O)CF 1458a_200011219800_100015361967 [1,1,0,0,0,0|1,0,0]=3 4525 B9R0.22 CCC(C)(O)CC(=O)NC 240690a_100102657272_200011219800 [1,1,0,0,0,0|1,0,0]=3 4526 B9R0.22 CCC(C)(O)CC(=O)NC 527a_100102657272_200011219800 [1,1,0,0,0,0|1,0,0]=3 4527 B9R0.22 CCC(C)NS(=O)(=O)CC 270084a_100000209981_100000211323 [1,1,0,0,0,0|2,0,0]=4 4528 B9R0.22 CCC(C)NS(=O)(=O)CC 274078a_100000209981_100000211323 [1,1,0,0,0,0|2,0,0]=4 4529 B9R0.22 CCC(C)NS(=O)(=O)CC 40a_100000209981_100000053943 [1,1,0,0,0,0|2,0,0]=4 4530 B9R0.22 COC(=O)CC(C)(C)OC 7a_100015205050_200000210301 [1,1,0,0,0,0|1,0,0]=3 4531 B9R0.22 COC(=O)CC(C)(C)O[13CH3] 7a_100015205050_200025704644 [1,1,0,0,0,0|1,0,0]=3 4532 B9R0.26 C#CC(=O)CC(CC)CC 1458a_100000211873_100011215472 [1,1,0,0,0,0|0,0,2]=4 4533 B9R0.26 C=CC(=O)CC(CC)CC 1458a_100000185746_100011215472 [1,1,0,0,0,0|0,0,2]=4 4534 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [1,1,0,0,0,0|0,0,0]=2 4535 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000082724_100000210202 [1,1,0,0,0,0|1,0,0]=3 4536 B9R0.26 CCC(=O)CC(OC)OC 1458a_100000210414_100000751394 [1,1,0,0,0,0|1,0,0]=3 4537 B9R0.26 CCC(=O)CN(CC)CC 1458a_100000758533_100000210202 [1,1,0,0,0,0|1,0,0]=3 4538 B9R0.26 CCC(=O)CN(CC)CC 269956a_100000042499_100000747405 [1,1,0,0,0,0|1,0,0]=3 4539 B9R0.26 CCC(=O)CN(CC)CC 269982a_100000724800_100000747405 [1,1,0,0,0,0|1,0,0]=3 4540 B9R0.26 CCC(=O)NC(CC)CC 11a_100000199018_100000210414 [1,1,0,0,0,0|1,0,0]=3 4541 B9R0.26 CCC(=O)NC(CC)CC 1626a_100000199018_100000210414 [1,1,0,0,0,0|1,0,0]=3 4542 B9R0.26 CCC(=O)NC(CC)CC 240690a_100000199018_100000210414 [1,1,0,0,0,0|1,0,0]=3 4543 B9R0.26 CCC(=O)NC(CC)CC 527a_100000199018_100000210414 [1,1,0,0,0,0|1,0,0]=3 4544 B9R0.26 CCC(=O)NC(CO)CO 240690a_100000759517_100000210414 [1,1,0,0,0,0|2,0,0]=4 4545 B9R0.26 CCC(=O)NC(CO)CO 527a_100000759517_100000210414 [1,1,0,0,0,0|2,0,0]=4 4546 B9R0.26 CCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210414 [1,1,0,0,0,0|1,0,0]=3 4547 B9R0.26 CCC(=O)N[C@@H](CC)CO 527a_100000709445_100000210414 [1,1,0,0,0,0|1,0,0]=3 4548 B9R0.26 CCC(C)CC(CC)NC 270004a_106832991635_100000184709 [1,1,0,0,0,0|1,0,1]=4 4549 B9R0.26 CCC(C)CC(CC)OC 7a_200011216566_200000210301 [1,1,0,0,0,0|0,0,2]=4 4550 B9R0.26 CCC(C)CC(CC)O[13CH3] 7a_200011216566_200025704644 [1,1,0,0,0,0|0,0,2]=4 4551 B9R0.26 CCC(C)CN(CC)CC 2230a_100000724800_100000748023 [1,1,0,0,0,0|2,0,0]=4 4552 B9R0.26 CCC(C)CN(CC)CC 269956a_100000042499_100000748023 [1,1,0,0,0,0|2,0,0]=4 4553 B9R0.26 CCC(C)CN(CC)CC 269982a_100000724800_100000748023 [1,1,0,0,0,0|2,0,0]=4 4554 B9R0.26 CCC(C)CN(CC)CC 270004a_100000724800_100000243153 [1,1,0,0,0,0|2,0,0]=4 4555 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [1,1,0,0,0,0|1,0,0]=3 4556 B9R0.26 CCC(CC)CN(C)CC 2230a_100000225621_100011215472 [1,1,0,0,0,0|2,0,0]=4 4557 B9R0.26 CCC(CC)CN(C)CC 269982a_100000225621_100011215472 [1,1,0,0,0,0|2,0,0]=4 4558 B9R0.26 CCC(CC)NC(=O)CO 240690a_100000199018_100000210174 [1,1,0,0,0,0|2,0,0]=4 4559 B9R0.26 CCC(CC)NC(=O)CO 527a_100000199018_100000210174 [1,1,0,0,0,0|2,0,0]=4 4560 B9R0.26 CCC(CC)NC(=O)NC 2708a_100000199018_106832991635 [1,1,0,0,0,0|2,0,0]=4 4561 B9R0.26 CCC(CC)NC(=O)NC 2708a_100102657272_100000199018 [1,1,0,0,0,0|2,0,0]=4 4562 B9R0.26 CCC(CC)NC(=O)NC 273464a_100000199018_100102657272 [1,1,0,0,0,0|2,0,0]=4 4563 B9R0.26 CCC(CC)NC(=O)NC 273464a_100102657272_100000199018 [1,1,0,0,0,0|2,0,0]=4 4564 B9R0.26 CCC(CC)NC(=O)NC 512a_100000199018_100102657272 [1,1,0,0,0,0|2,0,0]=4 4565 B9R0.26 CCC(CC)NC(=O)NC 512a_106832991638_100000199018 [1,1,0,0,0,0|2,0,0]=4 4566 B9R0.26 CCN(CC)CC(=O)CF 1458a_100000758533_100015361967 [1,1,0,0,0,0|2,0,0]=4 4567 B9R0.26 CCN(CC)CC(=O)NC 11a_106832991635_100000758533 [1,1,0,0,0,0|2,0,0]=4 4568 B9R0.26 CCN(CC)CC(=O)NC 1626a_100102657272_100000758533 [1,1,0,0,0,0|2,0,0]=4 4569 B9R0.26 CCN(CC)CC(=O)NC 2230a_100000724800_100000183359 [1,1,0,0,0,0|2,0,0]=4 4570 B9R0.26 CCN(CC)CC(=O)NC 240690a_100102657272_100000758533 [1,1,0,0,0,0|2,0,0]=4 4571 B9R0.26 CCN(CC)CC(=O)NC 269956a_100000042499_100000183359 [1,1,0,0,0,0|2,0,0]=4 4572 B9R0.26 CCN(CC)CC(=O)NC 269982a_100000724800_100000183359 [1,1,0,0,0,0|2,0,0]=4 4573 B9R0.26 CCN(CC)CC(=O)NC 527a_100102657272_100000758533 [1,1,0,0,0,0|2,0,0]=4 4574 B9R0.26 CCN(CC)CC(=O)OC 2230a_100000724800_100000747449 [1,1,0,0,0,0|1,0,0]=3 4575 B9R0.26 CCN(CC)CC(=O)OC 269956a_100000042499_100000747449 [1,1,0,0,0,0|1,0,0]=3 4576 B9R0.26 CCN(CC)CC(=O)OC 269982a_100000724800_100000747449 [1,1,0,0,0,0|1,0,0]=3 4577 B9R0.26 CC[C@@H](CC(=O)OC)OC 7a_200015357724_200000210301 [1,1,0,0,0,0|0,0,0]=2 4578 B9R0.26 CC[C@@H](CC(=O)OC)O[13CH3] 7a_200015357724_200025704644 [1,1,0,0,0,0|0,0,0]=2 4579 B9R0.26 CC[C@@H](CO)NC(=O)CO 240690a_100000709445_100000210174 [1,1,0,0,0,0|2,0,0]=4 4580 B9R0.26 CC[C@@H](CO)NC(=O)CO 527a_100000709445_100000210174 [1,1,0,0,0,0|2,0,0]=4 4581 B9R0.26 CC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000709445 [1,1,0,0,0,0|2,0,0]=4 4582 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100000709445_100102657272 [1,1,0,0,0,0|2,0,0]=4 4583 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000709445 [1,1,0,0,0,0|2,0,0]=4 4584 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_100000709445_100102657272 [1,1,0,0,0,0|2,0,0]=4 4585 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_106832991638_100000709445 [1,1,0,0,0,0|2,0,0]=4 4586 B9R0.26 CC[C@H](C)CN(CC)CC 2230a_100000724800_100009816398 [1,1,0,0,0,0|2,0,0]=4 4587 B9R0.26 CC[C@H](C)CN(CC)CC 269956a_100000042499_100009816398 [1,1,0,0,0,0|2,0,0]=4 4588 B9R0.26 CC[C@H](C)CN(CC)CC 269982a_100000724800_100009816398 [1,1,0,0,0,0|2,0,0]=4 4589 B9R0.26 CNC(=O)CC(OC)OC 11a_106832991635_100000082724 [1,1,0,0,0,0|2,0,0]=4 4590 B9R0.26 CNC(=O)CC(OC)OC 1626a_100102657272_100000082724 [1,1,0,0,0,0|2,0,0]=4 4591 B9R0.26 CNC(=O)CC(OC)OC 240690a_100102657272_100000082724 [1,1,0,0,0,0|2,0,0]=4 4592 B9R0.26 CNC(=O)CC(OC)OC 527a_100102657272_100000082724 [1,1,0,0,0,0|2,0,0]=4 4593 B9R0.26 COC(=O)C[C@H](CCl)OC 7a_100000754131_200000210301 [1,1,0,0,0,0|1,0,0]=3 4594 B9R0.26 COC(=O)C[C@H](CCl)O[13CH3] 7a_100000754131_200025704644 [1,1,0,0,0,0|1,0,0]=3 4595 B9R0.26 COC(CC(=O)CF)OC 1458a_100000082724_100015361967 [1,1,0,0,0,0|2,0,0]=4 4596 B9R0.26 COC(CC(=O)CO)OC 1458a_100000210174_100000751394 [1,1,0,0,0,0|2,0,0]=4 4597 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [1,1,0,0,0,0|1,0,1]=4 4598 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [1,1,0,0,0,0|1,0,1]=4 4599 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [1,1,0,0,0,0|1,0,1]=4 4600 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [1,1,0,0,0,0|1,0,0]=3 4601 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [1,1,0,0,0,0|1,0,0]=3 4602 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [1,1,0,0,0,0|1,0,0]=3 4603 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [1,1,0,0,0,0|1,0,0]=3 4604 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [1,1,0,0,0,0|1,0,0]=3 4605 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [1,1,0,0,0,0|1,0,0]=3 4606 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [1,1,0,0,0,0|1,0,0]=3 4607 B9R0.27 CCC(=O)N(C)C(C)CO 240690a_100000693034_100000210414 [1,1,0,0,0,0|2,0,0]=4 4608 B9R0.27 CCC(=O)N(C)C(C)CO 527a_100000693034_100000210414 [1,1,0,0,0,0|2,0,0]=4 4609 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [1,1,0,0,0,0|2,0,0]=4 4610 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [1,1,0,0,0,0|1,0,1]=4 4611 B9R0.27 CCC(C)C(C)C(C)OC 7a_200011290770_200000210301 [1,1,0,0,0,0|1,0,1]=4 4612 B9R0.27 CCC(C)C(C)C(C)O[13CH3] 7a_200011290770_200025704644 [1,1,0,0,0,0|1,0,1]=4 4613 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [1,1,0,0,0,0|2,0,0]=4 4614 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [1,1,0,0,0,0|2,0,0]=4 4615 B9R0.27 CCC(C)N(C)C(=O)NC 2708a_100102657272_100000741768 [1,1,0,0,0,0|2,0,0]=4 4616 B9R0.27 CCC(C)N(C)C(=O)NC 273464a_100102657272_100000741768 [1,1,0,0,0,0|2,0,0]=4 4617 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [1,1,0,0,0,0|1,0,1]=4 4618 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [1,1,0,0,0,0|1,0,1]=4 4619 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [1,1,0,0,0,0|1,0,1]=4 4620 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [1,1,0,0,0,0|1,0,1]=4 4621 B9R0.27 CCN(C)C(C)C(=O)CF 1458a_100011281945_100015361967 [1,1,0,0,0,0|2,0,0]=4 4622 B9R0.27 CCN(C)C(C)C(=O)NC 2230a_100000225621_100000731044 [1,1,0,0,0,0|2,0,0]=4 4623 B9R0.27 CCN(C)C(C)C(=O)NC 240690a_100102657272_100011281945 [1,1,0,0,0,0|2,0,0]=4 4624 B9R0.27 CCN(C)C(C)C(=O)NC 269982a_100000225621_100000209862 [1,1,0,0,0,0|2,0,0]=4 4625 B9R0.27 CCN(C)C(C)C(=O)NC 527a_100102657272_100011281945 [1,1,0,0,0,0|2,0,0]=4 4626 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [1,1,0,0,0,0|1,0,0]=3 4627 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [1,1,0,0,0,0|1,0,0]=3 4628 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [1,1,0,0,0,0|1,0,0]=3 4629 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [1,1,0,0,0,0|1,0,0]=3 4630 B9R0.27 CCN(C)C(F)C(=O)NC 2230a_100000225621_100009813575 [1,1,0,0,0,0|2,0,0]=4 4631 B9R0.27 CCN(C)C(F)C(=O)NC 269982a_100000225621_100009813575 [1,1,0,0,0,0|2,0,0]=4 4632 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC 34a_100102634413_200000210301 [1,1,0,0,0,0|2,0,0]=4 4633 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 4634 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [1,1,0,0,0,0|1,0,1]=4 4635 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [1,1,0,0,0,0|1,0,1]=4 4636 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [1,1,0,0,0,0|1,0,1]=4 4637 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [1,1,0,0,0,0|1,0,1]=4 4638 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [1,1,0,0,0,0|1,0,1]=4 4639 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [1,1,0,0,0,0|1,0,1]=4 4640 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [1,1,0,0,0,0|1,0,1]=4 4641 B9R0.27 COC(=O)C(C)N(C)CF 269982a_100000725243_100015361967 [1,1,0,0,0,0|2,0,0]=4 4642 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [1,1,0,0,0,0|1,0,0]=3 4643 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 4644 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [1,1,0,0,0,0|0,0,1]=3 4645 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [1,1,0,0,0,0|1,0,1]=4 4646 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [1,1,0,0,0,0|0,0,1]=3 4647 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [1,1,0,0,0,0|1,0,1]=4 4648 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [1,1,0,0,0,0|1,0,1]=4 4649 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [1,1,0,0,0,0|1,0,1]=4 4650 B9R0.42 C=CC(C)CC(=O)C(C)C 1458a_100011934298_100000210206 [1,1,0,0,0,0|0,0,2]=4 4651 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [1,1,0,0,0,0|1,0,0]=3 4652 B9R0.42 CC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000210198 [1,1,0,0,0,0|2,0,0]=4 4653 B9R0.42 CC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000210198 [1,1,0,0,0,0|2,0,0]=4 4654 B9R0.42 CC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000210198 [1,1,0,0,0,0|2,0,0]=4 4655 B9R0.42 CC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000210198 [1,1,0,0,0,0|2,0,0]=4 4656 B9R0.42 CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210198 [1,1,0,0,0,0|2,0,0]=4 4657 B9R0.42 CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210198 [1,1,0,0,0,0|2,0,0]=4 4658 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [1,1,0,0,0,0|2,0,0]=4 4659 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [1,1,0,0,0,0|2,0,0]=4 4660 B9R0.42 CC(C)N(C)CC(=O)CF 1458a_100000743827_100015361967 [1,1,0,0,0,0|2,0,0]=4 4661 B9R0.42 CC(CC(=O)CF)N(C)C 1458a_100011311895_100015361967 [1,1,0,0,0,0|2,0,0]=4 4662 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [1,1,0,0,0,0|1,0,0]=3 4663 B9R0.42 CC(F)C(=O)N[C@H](C)CF 11a_100102880703_100000062450 [1,1,0,0,0,0|2,0,0]=4 4664 B9R0.42 CC(F)C(=O)N[C@H](C)CF 1626a_100102880703_100000062450 [1,1,0,0,0,0|2,0,0]=4 4665 B9R0.42 CC(F)C(=O)N[C@H](C)CF 240690a_100102880703_100000062450 [1,1,0,0,0,0|2,0,0]=4 4666 B9R0.42 CC(F)C(=O)N[C@H](C)CF 527a_100102880703_100000062450 [1,1,0,0,0,0|2,0,0]=4 4667 B9R0.42 CC(F)C(=O)N[C@H](C)CO 240690a_100000737577_100000062450 [1,1,0,0,0,0|2,0,0]=4 4668 B9R0.42 CC(F)C(=O)N[C@H](C)CO 527a_100000737577_100000062450 [1,1,0,0,0,0|2,0,0]=4 4669 B9R0.42 CCC(=CC(=O)C(C)C)C 1458a_100020758463_100000210206 [1,1,0,0,0,0|0,0,2]=4 4670 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [1,1,0,0,0,0|1,0,1]=4 4671 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [1,1,0,0,0,0|1,0,1]=4 4672 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [1,1,0,0,0,0|1,0,1]=4 4673 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [1,1,0,0,0,0|1,0,1]=4 4674 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [1,1,0,0,0,0|1,0,1]=4 4675 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [1,1,0,0,0,0|1,0,0]=3 4676 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [1,1,0,0,0,0|1,0,1]=4 4677 B9R0.42 CCC(=O)CN(C)C(C)C 1458a_100000743827_100000210202 [1,1,0,0,0,0|1,0,0]=3 4678 B9R0.42 CCC(=O)CN(C)C(C)C 269982a_200000211004_100000747405 [1,1,0,0,0,0|1,0,0]=3 4679 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [1,1,0,0,0,0|1,0,1]=4 4680 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [1,1,0,0,0,0|1,0,1]=4 4681 B9R0.42 CCC(=O)NC(C)C(C)C 11a_100000211541_100000210414 [1,1,0,0,0,0|1,0,0]=3 4682 B9R0.42 CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210414 [1,1,0,0,0,0|1,0,0]=3 4683 B9R0.42 CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210414 [1,1,0,0,0,0|1,0,0]=3 4684 B9R0.42 CCC(=O)NC(C)C(C)C 527a_100000211541_100000210414 [1,1,0,0,0,0|1,0,0]=3 4685 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [1,1,0,0,0,0|0,0,0]=2 4686 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [1,1,0,0,0,0|0,0,0]=2 4687 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [1,1,0,0,0,0|0,0,0]=2 4688 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [1,1,0,0,0,0|1,0,0]=3 4689 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [1,1,0,0,0,0|1,0,0]=3 4690 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [1,1,0,0,0,0|1,0,0]=3 4691 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [1,1,0,0,0,0|1,0,0]=3 4692 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [1,1,0,0,0,0|1,0,0]=3 4693 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [1,1,0,0,0,0|0,0,0]=2 4694 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [1,1,0,0,0,0|0,0,0]=2 4695 B9R0.42 CCC(C)CN(C)C(C)C 2230a_100000753921_100000210206 [1,1,0,0,0,0|2,0,0]=4 4696 B9R0.42 CCC(C)CN(C)C(C)C 269982a_100000753921_100000210206 [1,1,0,0,0,0|2,0,0]=4 4697 B9R0.42 CCC(C)CN(C)C(C)C 269982a_200000211004_100000748023 [1,1,0,0,0,0|2,0,0]=4 4698 B9R0.42 CCC(C)CN(C)C(C)C 270004a_200000211004_100000243153 [1,1,0,0,0,0|2,0,0]=4 4699 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [1,1,0,0,0,0|1,0,1]=4 4700 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [1,1,0,0,0,0|1,0,1]=4 4701 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [1,1,0,0,0,0|1,0,0]=3 4702 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [1,1,0,0,0,0|1,0,0]=3 4703 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [1,1,0,0,0,0|1,0,0]=3 4704 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [1,1,0,0,0,0|1,0,0]=3 4705 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [1,1,0,0,0,0|1,0,0]=3 4706 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [1,1,0,0,0,0|1,0,0]=3 4707 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [1,1,0,0,0,0|1,0,0]=3 4708 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [1,1,0,0,0,0|1,0,0]=3 4709 B9R0.42 CCC(C)NC(=O)C(F)F 11a_100000209981_100000210393 [1,1,0,0,0,0|2,0,0]=4 4710 B9R0.42 CCC(C)NC(=O)C(F)F 1626a_100000209981_100000210393 [1,1,0,0,0,0|2,0,0]=4 4711 B9R0.42 CCC(C)NC(=O)C(F)F 240690a_100000209981_100000210393 [1,1,0,0,0,0|2,0,0]=4 4712 B9R0.42 CCC(C)NC(=O)C(F)F 527a_100000209981_100000210393 [1,1,0,0,0,0|2,0,0]=4 4713 B9R0.42 CCC(C)NC(=O)C(O)O 240690a_100000209981_100000233687 [1,1,0,0,0,0|2,0,0]=4 4714 B9R0.42 CCC(C)NC(=O)N(C)C 2708a_100000209981_100102631434 [1,1,0,0,0,0|2,0,0]=4 4715 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [1,1,0,0,0,0|1,0,0]=3 4716 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [1,1,0,0,0,0|1,0,0]=3 4717 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [1,1,0,0,0,0|1,0,0]=3 4718 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [1,1,0,0,0,0|1,0,0]=3 4719 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [1,1,0,0,0,0|1,0,0]=3 4720 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [1,1,0,0,0,0|1,0,0]=3 4721 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [1,1,0,0,0,0|2,0,0]=4 4722 B9R0.42 CCC(O)CC(=O)N(C)C 1626a_100102631434_100011667805 [1,1,0,0,0,0|2,0,0]=4 4723 B9R0.42 CCC(O)CC(=O)N(C)C 240690a_100102631434_100011667805 [1,1,0,0,0,0|2,0,0]=4 4724 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [1,1,0,0,0,0|1,0,0]=3 4725 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [1,1,0,0,0,0|1,0,0]=3 4726 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [1,1,0,0,0,0|1,0,1]=4 4727 B9R0.42 CCN(C)CC(=O)C(C)C 1458a_100116209913_100000210206 [1,1,0,0,0,0|1,0,0]=3 4728 B9R0.42 CCN(C)CC(=O)C(C)C 2230a_100000225621_100000753385 [1,1,0,0,0,0|1,0,0]=3 4729 B9R0.42 CCN(C)CC(=O)C(C)C 269982a_100000225621_100000753385 [1,1,0,0,0,0|1,0,0]=3 4730 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000185065_100000210202 [1,1,0,0,0,0|2,0,0]=4 4731 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000225621_100000185267 [1,1,0,0,0,0|2,0,0]=4 4732 B9R0.42 CCN(C)CC(=O)N(C)C 240690a_100102631434_100116209913 [1,1,0,0,0,0|2,0,0]=4 4733 B9R0.42 CCN(C)CC(=O)N(C)C 269982a_100000225621_100000185267 [1,1,0,0,0,0|2,0,0]=4 4734 B9R0.42 CCN(C)CC(=O)N(C)C 527a_100102631434_100116209913 [1,1,0,0,0,0|2,0,0]=4 4735 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [1,1,0,0,0,0|0,0,0]=2 4736 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [1,1,0,0,0,0|0,0,0]=2 4737 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [1,1,0,0,0,0|1,0,0]=3 4738 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [1,1,0,0,0,0|0,0,0]=2 4739 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [1,1,0,0,0,0|0,0,0]=2 4740 B9R0.42 CC[C@H](C)CN(C)C(C)C 269982a_200000211004_100009816398 [1,1,0,0,0,0|2,0,0]=4 4741 B9R0.42 CNC(=O)CC(C)N(C)C 1626a_100102657272_100011311895 [1,1,0,0,0,0|2,0,0]=4 4742 B9R0.42 CNC(=O)CC(C)N(C)C 2230a_100015186911_200000210301 [1,1,0,0,0,0|2,0,0]=4 4743 B9R0.42 CNC(=O)CC(C)N(C)C 240690a_100102657272_100011311895 [1,1,0,0,0,0|2,0,0]=4 4744 B9R0.42 CNC(=O)CC(C)N(C)C 269982a_100015186911_200000210301 [1,1,0,0,0,0|2,0,0]=4 4745 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 2230a_100015186911_200025704644 [1,1,0,0,0,0|2,0,0]=4 4746 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 269982a_100015186911_200025704644 [1,1,0,0,0,0|2,0,0]=4 4747 B9R0.42 CNC(=O)CN(C)C(C)C 11a_106832991635_100000743827 [1,1,0,0,0,0|2,0,0]=4 4748 B9R0.42 CNC(=O)CN(C)C(C)C 1626a_100102657272_100000743827 [1,1,0,0,0,0|2,0,0]=4 4749 B9R0.42 CNC(=O)CN(C)C(C)C 2230a_100000189611_100000210206 [1,1,0,0,0,0|2,0,0]=4 4750 B9R0.42 CNC(=O)CN(C)C(C)C 240690a_100102657272_100000743827 [1,1,0,0,0,0|2,0,0]=4 4751 B9R0.42 CNC(=O)CN(C)C(C)C 269982a_200000211004_100000183359 [1,1,0,0,0,0|2,0,0]=4 4752 B9R0.42 CNC(=O)CN(C)C(C)C 527a_100102657272_100000743827 [1,1,0,0,0,0|2,0,0]=4 4753 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100000211541_106832991635 [1,1,0,0,0,0|2,0,0]=4 4754 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100102657272_100000211541 [1,1,0,0,0,0|2,0,0]=4 4755 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100000211541_100102657272 [1,1,0,0,0,0|2,0,0]=4 4756 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100102657272_100000211541 [1,1,0,0,0,0|2,0,0]=4 4757 B9R0.42 CNC(=O)NC(C)C(C)C 512a_100000211541_100102657272 [1,1,0,0,0,0|2,0,0]=4 4758 B9R0.42 CNC(=O)NC(C)C(C)C 512a_106832991638_100000211541 [1,1,0,0,0,0|2,0,0]=4 4759 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [1,1,0,0,0,0|1,0,1]=4 4760 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [1,1,0,0,0,0|1,0,1]=4 4761 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [1,1,0,0,0,0|1,0,1]=4 4762 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [1,1,0,0,0,0|1,0,1]=4 4763 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [1,1,0,0,0,0|1,0,1]=4 4764 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [1,1,0,0,0,0|0,0,1]=3 4765 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [1,1,0,0,0,0|0,0,1]=3 4766 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [1,1,0,0,0,0|1,0,0]=3 4767 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [1,1,0,0,0,0|1,0,0]=3 4768 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [1,1,0,0,0,0|1,0,1]=4 4769 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [1,1,0,0,0,0|1,0,1]=4 4770 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [1,1,0,0,0,0|1,0,1]=4 4771 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [1,1,0,0,0,0|1,0,1]=4 4772 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [1,1,0,0,0,0|1,0,0]=3 4773 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [1,1,0,0,0,0|1,0,0]=3 4774 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [1,1,0,0,0,0|2,0,0]=4 4775 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [1,1,0,0,0,0|1,0,0]=3 4776 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [1,1,0,0,0,0|1,0,0]=3 4777 B9R0.42 C[C@H](CF)NC(=O)[C@@H](C)O 240690a_100102880703_100000717761 [1,1,0,0,0,0|2,0,0]=4 4778 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 1626a_100102880703_217856618621 [1,1,0,0,0,0|2,0,0]=4 4779 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 240690a_100102880703_217856618621 [1,1,0,0,0,0|2,0,0]=4 4780 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [1,1,0,0,0,0|2,0,0]=4 4781 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [1,1,0,0,0,0|2,0,0]=4 4782 B9R0.19 CCC(C)(C)C(=O)CCF 1458a_100000749717_100011217306 [0,1,0,0,1,0|2,0,0]=4 4783 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [0,1,0,0,1,0|2,0,0]=4 4784 B9R0.19 CCC(C)(C)C(=O)NNC 22a_100016993582_100000749717 [0,1,0,0,1,0|2,0,0]=4 4785 B9R0.19 CCC(C)(O)C(=O)CCF 1458a_100011219770_100011217306 [0,1,0,0,1,0|2,0,0]=4 4786 B9R0.19 CCC(C)(O)C(=O)CCO 1458a_100011219770_100000211926 [0,1,0,0,1,0|2,0,0]=4 4787 B9R0.19 CCC(C)(O)C(=O)NNC 22a_100016993582_100011219770 [0,1,0,0,1,0|2,0,0]=4 4788 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [0,1,0,0,1,0|1,0,0]=3 4789 B9R0.19 CCCC(=O)C(C)(C)CF 1458a_100000138116_100000210303 [0,1,0,0,1,0|2,0,0]=4 4790 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [0,1,0,0,1,0|2,0,0]=4 4791 B9R0.19 CCCC(=O)C(C)(C)OC 1458a_100000753492_100000210303 [0,1,0,0,1,0|2,0,0]=4 4792 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,1,0,0,1,0|1,0,0]=3 4793 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [0,1,0,0,1,0|2,0,0]=4 4794 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [0,1,0,0,1,0|1,0,0]=3 4795 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [0,1,0,0,1,0|1,0,0]=3 4796 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [0,1,0,0,1,0|1,0,0]=3 4797 B9R0.19 CCNC(=O)C(C)(C)CF 11a_100015525214_100000138116 [0,1,0,0,1,0|2,0,0]=4 4798 B9R0.19 CCNC(=O)C(C)(C)CF 240690a_100015525214_100000138116 [0,1,0,0,1,0|2,0,0]=4 4799 B9R0.19 CCNC(=O)C(C)(C)CF 527a_100015525214_100000138116 [0,1,0,0,1,0|2,0,0]=4 4800 B9R0.19 CCNC(=O)C(C)(C)CO 240690a_100015525214_100000749806 [0,1,0,0,1,0|2,0,0]=4 4801 B9R0.19 CCNC(=O)C(C)(C)CO 527a_100015525214_100000749806 [0,1,0,0,1,0|2,0,0]=4 4802 B9R0.19 CCNC(=O)C(C)(C)OC 11a_100015525214_100000753492 [0,1,0,0,1,0|2,0,0]=4 4803 B9R0.19 CCNC(=O)C(C)(C)OC 240690a_100015525214_100000753492 [0,1,0,0,1,0|2,0,0]=4 4804 B9R0.19 CCNC(=O)C(C)(C)OC 527a_100015525214_100000753492 [0,1,0,0,1,0|2,0,0]=4 4805 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [0,1,0,0,1,0|1,0,0]=3 4806 B9R0.19 CCNC(=O)C(F)(F)CC 11a_100015525214_100000061896 [0,1,0,0,1,0|2,0,0]=4 4807 B9R0.19 CCNC(=O)C(F)(F)CC 240690a_100015525214_100000061896 [0,1,0,0,1,0|2,0,0]=4 4808 B9R0.19 CCNC(=O)C(F)(F)CC 527a_100015525214_100000061896 [0,1,0,0,1,0|2,0,0]=4 4809 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [0,1,0,0,1,0|1,0,0]=3 4810 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [0,1,0,0,1,0|1,0,0]=3 4811 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [0,1,0,0,1,0|1,0,0]=3 4812 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [0,1,0,0,1,0|1,0,0]=3 4813 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [0,1,0,0,1,0|1,0,0]=3 4814 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [0,1,0,0,1,0|1,0,0]=3 4815 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [0,1,0,0,1,0|1,0,0]=3 4816 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [0,1,0,0,1,0|1,0,0]=3 4817 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [0,1,0,0,1,0|1,0,0]=3 4818 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [0,1,0,0,1,0|1,0,0]=3 4819 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [0,1,0,0,1,0|2,0,0]=4 4820 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [0,1,0,0,1,0|2,0,0]=4 4821 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [0,1,0,0,1,0|2,0,0]=4 4822 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [0,1,0,0,1,0|2,0,0]=4 4823 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [0,1,0,0,1,0|2,0,0]=4 4824 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [0,1,0,0,1,0|2,0,0]=4 4825 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [0,1,0,0,1,0|2,0,0]=4 4826 B9R0.37 CC#CC(=O)C(CC)CC 1458a_100000763181_100000210505 [0,1,0,0,1,0|1,0,1]=4 4827 B9R0.37 CC=CC(=O)C(CC)CC 1458a_100000210699_100000210505 [0,1,0,0,1,0|1,0,1]=4 4828 B9R0.37 CCC(CC)C(=O)CCF 1458a_100000211163_100011217306 [0,1,0,0,1,0|2,0,0]=4 4829 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [0,1,0,0,1,0|2,0,0]=4 4830 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [0,1,0,0,1,0|2,0,0]=4 4831 B9R0.37 CCC(CC)C(=O)COC 1458a_100000210968_100000210505 [0,1,0,0,1,0|2,0,0]=4 4832 B9R0.37 CCC(CC)C(=O)CSC 1458a_100000184570_100000210505 [0,1,0,0,1,0|2,0,0]=4 4833 B9R0.37 CCC(CC)C(=O)NNC 22a_100016993582_100000211163 [0,1,0,0,1,0|2,0,0]=4 4834 B9R0.37 CCC(OC)C(=O)CCF 1458a_100000747056_100011217306 [0,1,0,0,1,0|2,0,0]=4 4835 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [0,1,0,0,1,0|2,0,0]=4 4836 B9R0.37 CCC(OC)C(=O)NNC 22a_100016993582_100000747056 [0,1,0,0,1,0|2,0,0]=4 4837 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,1,0,0,1,0|1,0,0]=3 4838 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,1,0,0,1,0|1,0,0]=3 4839 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,1,0,0,1,0|1,0,0]=3 4840 B9R0.37 CCCC(=O)C(OC)OC 1458a_100000046285_100000210303 [0,1,0,0,1,0|2,0,0]=4 4841 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,1,0,0,1,0|2,0,0]=4 4842 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,1,0,0,1,0|2,0,0]=4 4843 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,1,0,0,1,0|2,0,0]=4 4844 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,1,0,0,1,0|2,0,0]=4 4845 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [0,1,0,0,1,0|1,0,0]=3 4846 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [0,1,0,0,1,0|1,0,0]=3 4847 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [0,1,0,0,1,0|1,0,0]=3 4848 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [0,1,0,0,1,0|1,0,0]=3 4849 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [0,1,0,0,1,0|1,0,0]=3 4850 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [0,1,0,0,1,0|1,0,0]=3 4851 B9R0.37 CCNC(=O)C(OC)OC 11a_100015525214_100000046285 [0,1,0,0,1,0|2,0,0]=4 4852 B9R0.37 CCNC(=O)C(OC)OC 240690a_100015525214_100000046285 [0,1,0,0,1,0|2,0,0]=4 4853 B9R0.37 CCNC(=O)C(OC)OC 527a_100015525214_100000046285 [0,1,0,0,1,0|2,0,0]=4 4854 B9R0.37 CCNC(=O)N(CC)CC 2708a_100015525214_100000724800 [0,1,0,0,1,0|2,0,0]=4 4855 B9R0.37 CCNC(=O)N(CC)CC 273464a_100015525214_100000724800 [0,1,0,0,1,0|2,0,0]=4 4856 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,1,0,0,1,0|1,0,1]=4 4857 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,1,0,0,1,0|1,0,1]=4 4858 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,1,0,0,1,0|1,0,1]=4 4859 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,1,0,0,1,0|1,0,1]=4 4860 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [0,1,0,0,1,0|0,0,0]=2 4861 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [0,1,0,0,1,0|0,0,0]=2 4862 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [0,1,0,0,1,0|0,0,0]=2 4863 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,1,0,0,1,0|0,0,0]=2 4864 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,1,0,0,1,0|0,0,0]=2 4865 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,1,0,0,1,0|0,0,0]=2 4866 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,1,0,0,1,0|0,0,0]=2 4867 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,1,0,0,1,0|0,0,0]=2 4868 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [0,1,0,0,1,0|0,0,0]=2 4869 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [0,1,0,0,1,0|0,0,0]=2 4870 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [0,1,0,0,1,0|0,0,0]=2 4871 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [0,1,0,0,1,0|0,0,0]=2 4872 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [0,1,0,0,1,0|1,0,0]=3 4873 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [0,1,0,0,1,0|1,0,0]=3 4874 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [0,1,0,0,1,0|1,0,0]=3 4875 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [0,1,0,0,1,0|1,0,0]=3 4876 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [0,1,0,0,1,0|1,0,0]=3 4877 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [0,1,0,0,1,0|1,0,0]=3 4878 B9R0.60 CCNS(=O)(=O)C(C)CC 270084a_100015525214_100000685195 [0,1,0,0,1,0|2,0,0]=4 4879 B9R0.60 CCNS(=O)(=O)C(C)CC 274078a_100015525214_100000685195 [0,1,0,0,1,0|2,0,0]=4 4880 B11R0.9 C#CC(CC)OCC(=O)CCC 7a_100000758843_100000747444 [0,1,0,0,0,1|1,0,1]=4 4881 B11R0.9 C#CC(CC)OCC(=O)NCC 34a_100000758843_100000183381 [0,1,0,0,0,1|1,0,1]=4 4882 B11R0.9 C#CC(CC)OCC(=O)NCC 7a_100000758843_100000183381 [0,1,0,0,0,1|1,0,1]=4 4883 B11R0.9 C#CC(CC)OCC(=O)OCC 34a_100000758843_100000188475 [0,1,0,0,0,1|0,0,1]=3 4884 B11R0.9 C#CC(CC)OCC(=O)OCC 7a_100000758843_100000188475 [0,1,0,0,0,1|0,0,1]=3 4885 B11R0.9 C=CC(CC)OCC(=O)CCC 7a_100000766422_100000747444 [0,1,0,0,0,1|1,0,1]=4 4886 B11R0.9 C=CC(CC)OCC(=O)NCC 34a_100000766422_100000183381 [0,1,0,0,0,1|1,0,1]=4 4887 B11R0.9 C=CC(CC)OCC(=O)NCC 7a_100000766422_100000183381 [0,1,0,0,0,1|1,0,1]=4 4888 B11R0.9 C=CC(CC)OCC(=O)OCC 34a_100000766422_100000188475 [0,1,0,0,0,1|0,0,1]=3 4889 B11R0.9 C=CC(CC)OCC(=O)OCC 7a_100000766422_100000188475 [0,1,0,0,0,1|0,0,1]=3 4890 B11R0.9 C=COC(=O)CNC(CC)CC 2230a_100000199018_100000036128 [0,1,0,0,0,1|0,0,2]=4 4891 B11R0.9 C=COC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000036128 [0,1,0,0,0,1|0,0,2]=4 4892 B11R0.9 C=COC(=O)CSC(CC)CC 62a_100000036128_100000210505 [0,1,0,0,0,1|0,0,2]=4 4893 B11R0.9 C=COC(=O)CSC(CC)CC 62a_100000210505_100000036128 [0,1,0,0,0,1|0,0,2]=4 4894 B11R0.9 C=C[C@@H](CO)NCC(=O)OCC 2230a_100016989147_100000188475 [0,1,0,0,0,1|0,0,2]=4 4895 B11R0.9 C=C[C@@H](CO)NCC(=O)OCC 34a_100016989147_100000188475 [0,1,0,0,0,1|0,0,2]=4 4896 B11R0.9 CC=CC(=O)NCC(CC)CC 11a_100102946423_100000210699 [0,1,0,0,0,1|1,0,1]=4 4897 B11R0.9 CC=CC(=O)NCC(CC)CC 1626a_100102946423_100000210699 [0,1,0,0,0,1|1,0,1]=4 4898 B11R0.9 CC=CC(=O)NCC(CC)CC 240690a_100102946423_100000210699 [0,1,0,0,0,1|1,0,1]=4 4899 B11R0.9 CC=CC(=O)NCC(CC)OC 11a_100000731041_100000210699 [0,1,0,0,0,1|1,0,1]=4 4900 B11R0.9 CC=CC(=O)NCC(CC)OC 1626a_100000731041_100000210699 [0,1,0,0,0,1|1,0,1]=4 4901 B11R0.9 CC=CC(=O)NCC(CC)OC 240690a_100000731041_100000210699 [0,1,0,0,0,1|1,0,1]=4 4902 B11R0.9 CCC(CC)CNC(=O)CCO 240690a_100102946423_100011216618 [0,1,0,0,0,1|2,0,0]=4 4903 B11R0.9 CCC(CC)CNC(=O)COC 11a_100102946423_100000210968 [0,1,0,0,0,1|2,0,0]=4 4904 B11R0.9 CCC(CC)CNC(=O)COC 1626a_100102946423_100000210968 [0,1,0,0,0,1|2,0,0]=4 4905 B11R0.9 CCC(CC)CNC(=O)COC 240690a_100102946423_100000210968 [0,1,0,0,0,1|2,0,0]=4 4906 B11R0.9 CCC(CC)CNC(=O)COC 527a_100102946423_100000210968 [0,1,0,0,0,1|2,0,0]=4 4907 B11R0.9 CCC(CC)CNC(=O)CSC 11a_100102946423_100000184570 [0,1,0,0,0,1|2,0,0]=4 4908 B11R0.9 CCC(CC)CNC(=O)CSC 1626a_100102946423_100000184570 [0,1,0,0,0,1|2,0,0]=4 4909 B11R0.9 CCC(CC)CNC(=O)CSC 240690a_100102946423_100000184570 [0,1,0,0,0,1|2,0,0]=4 4910 B11R0.9 CCC(CC)CNC(=O)CSC 527a_100102946423_100000184570 [0,1,0,0,0,1|2,0,0]=4 4911 B11R0.9 CCC(CC)CNC(=O)NNC 273464a_100102946423_100016993582 [0,1,0,0,0,1|2,0,0]=4 4912 B11R0.9 CCC(CC)CNC(=O)NNC 512a_100016993582_100102946423 [0,1,0,0,0,1|2,0,0]=4 4913 B11R0.9 CCC(CC)CNC(=O)NNC 512a_100102946423_100016993582 [0,1,0,0,0,1|2,0,0]=4 4914 B11R0.9 CCC(CC)NCC(=O)NCO 2230a_100000199018_100000185155 [0,1,0,0,0,1|2,0,0]=4 4915 B11R0.9 CCC(CC)OCC(=O)CCF 1458a_100012002705_100011217306 [0,1,0,0,0,1|2,0,0]=4 4916 B11R0.9 CCC(CC)OCC(=O)CCO 1458a_100012002705_100000211926 [0,1,0,0,0,1|2,0,0]=4 4917 B11R0.9 CCC(CC)OCC(=O)NCO 7a_100000688536_100000185155 [0,1,0,0,0,1|2,0,0]=4 4918 B11R0.9 CCC(CC)OCC(=O)NNC 22a_100016993582_100012002705 [0,1,0,0,0,1|2,0,0]=4 4919 B11R0.9 CCC(CC)SCC(=O)NCO 62a_100000185155_100000210505 [0,1,0,0,0,1|2,0,0]=4 4920 B11R0.9 CCC(CC)SCC(=O)NCO 62a_100000210505_100000185155 [0,1,0,0,0,1|2,0,0]=4 4921 B11R0.9 CCC(CNC(=O)CCO)OC 240690a_100000731041_100011216618 [0,1,0,0,0,1|2,0,0]=4 4922 B11R0.9 CCC(CNC(=O)COC)OC 11a_100000731041_100000210968 [0,1,0,0,0,1|2,0,0]=4 4923 B11R0.9 CCC(CNC(=O)COC)OC 1626a_100000731041_100000210968 [0,1,0,0,0,1|2,0,0]=4 4924 B11R0.9 CCC(CNC(=O)COC)OC 240690a_100000731041_100000210968 [0,1,0,0,0,1|2,0,0]=4 4925 B11R0.9 CCC(CNC(=O)COC)OC 527a_100000731041_100000210968 [0,1,0,0,0,1|2,0,0]=4 4926 B11R0.9 CCC(CNC(=O)CSC)OC 11a_100000731041_100000184570 [0,1,0,0,0,1|2,0,0]=4 4927 B11R0.9 CCC(CNC(=O)CSC)OC 1626a_100000731041_100000184570 [0,1,0,0,0,1|2,0,0]=4 4928 B11R0.9 CCC(CNC(=O)CSC)OC 240690a_100000731041_100000184570 [0,1,0,0,0,1|2,0,0]=4 4929 B11R0.9 CCC(CNC(=O)CSC)OC 527a_100000731041_100000184570 [0,1,0,0,0,1|2,0,0]=4 4930 B11R0.9 CCC(CNC(=O)NNC)OC 273464a_100000731041_100016993582 [0,1,0,0,0,1|2,0,0]=4 4931 B11R0.9 CCC(CNC(=O)NNC)OC 512a_100000731041_100016993582 [0,1,0,0,0,1|2,0,0]=4 4932 B11R0.9 CCC(CNC(=O)NNC)OC 512a_100016993582_100000731041 [0,1,0,0,0,1|2,0,0]=4 4933 B11R0.9 CCCC(=O)CCC(OC)OC 1458a_100000211992_100000139399 [0,1,0,0,0,1|2,0,0]=4 4934 B11R0.9 CCCC(=O)CCC(OC)OC 1458a_200000082759_100000210303 [0,1,0,0,0,1|2,0,0]=4 4935 B11R0.9 CCCC(=O)CCN(CC)CC 1458a_100000211992_100000700428 [0,1,0,0,0,1|2,0,0]=4 4936 B11R0.9 CCCC(=O)CCN(CC)CC 1458a_100000750416_100000210303 [0,1,0,0,0,1|2,0,0]=4 4937 B11R0.9 CCCC(=O)CNC(CC)CC 2230a_100000199018_100000747444 [0,1,0,0,0,1|1,0,0]=3 4938 B11R0.9 CCCC(=O)CNC(CO)CO 2230a_100000759517_100000747444 [0,1,0,0,0,1|2,0,0]=4 4939 B11R0.9 CCCC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000747444 [0,1,0,0,0,1|1,0,0]=3 4940 B11R0.9 CCCC(=O)COC(CC)CC 1458a_100012002705_100000210303 [0,1,0,0,0,1|1,0,0]=3 4941 B11R0.9 CCCC(=O)COC(CC)CC 7a_100000688536_100000747444 [0,1,0,0,0,1|1,0,0]=3 4942 B11R0.9 CCCC(=O)COC(CCl)CCl 7a_100000737055_100000747444 [0,1,0,0,0,1|2,0,0]=4 4943 B11R0.9 CCCC(=O)COC(CF)CF 7a_100000032261_100000747444 [0,1,0,0,0,1|2,0,0]=4 4944 B11R0.9 CCCC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000747444 [0,1,0,0,0,1|2,0,0]=4 4945 B11R0.9 CCCC(=O)CSC(CC)CC 62a_100000210505_100000747444 [0,1,0,0,0,1|1,0,0]=3 4946 B11R0.9 CCCC(=O)CSC(CC)CC 62a_100000747444_100000210505 [0,1,0,0,0,1|1,0,0]=3 4947 B11R0.9 CCCC(=O)NCC(CC)CC 11a_100102946423_100000211992 [0,1,0,0,0,1|1,0,0]=3 4948 B11R0.9 CCCC(=O)NCC(CC)CC 1626a_100102946423_100000211992 [0,1,0,0,0,1|1,0,0]=3 4949 B11R0.9 CCCC(=O)NCC(CC)CC 240690a_100102946423_100000211992 [0,1,0,0,0,1|1,0,0]=3 4950 B11R0.9 CCCC(=O)NCC(CC)CC 527a_100102946423_100000211992 [0,1,0,0,0,1|1,0,0]=3 4951 B11R0.9 CCCC(=O)NCC(CC)OC 11a_100000731041_100000211992 [0,1,0,0,0,1|1,0,0]=3 4952 B11R0.9 CCCC(=O)NCC(CC)OC 1626a_100000731041_100000211992 [0,1,0,0,0,1|1,0,0]=3 4953 B11R0.9 CCCC(=O)NCC(CC)OC 240690a_100000731041_100000211992 [0,1,0,0,0,1|1,0,0]=3 4954 B11R0.9 CCCC(=O)NCC(CC)OC 527a_100000731041_100000211992 [0,1,0,0,0,1|1,0,0]=3 4955 B11R0.9 CCCC(=O)NCC(OC)OC 11a_100000210479_100000211992 [0,1,0,0,0,1|2,0,0]=4 4956 B11R0.9 CCCC(=O)NCC(OC)OC 1626a_100000210479_100000211992 [0,1,0,0,0,1|2,0,0]=4 4957 B11R0.9 CCCC(=O)NCC(OC)OC 240690a_100000210479_100000211992 [0,1,0,0,0,1|2,0,0]=4 4958 B11R0.9 CCCC(=O)NCC(OC)OC 527a_100000210479_100000211992 [0,1,0,0,0,1|2,0,0]=4 4959 B11R0.9 CCCC(=O)NNC(CC)CC 22a_100000756293_100000211992 [0,1,0,0,0,1|2,0,0]=4 4960 B11R0.9 CCCC(=O)OCN(CC)CC 2230a_100000724800_100000034017 [0,1,0,0,0,1|2,0,0]=4 4961 B11R0.9 CCCC(=O)OCN(CC)CC 269956a_100000042499_100000034017 [0,1,0,0,0,1|2,0,0]=4 4962 B11R0.9 CCCC(=O)OCN(CC)CC 269982a_100000724800_100000034017 [0,1,0,0,0,1|2,0,0]=4 4963 B11R0.9 CCNC(=O)CCC(OC)OC 11a_100015525214_200000082759 [0,1,0,0,0,1|2,0,0]=4 4964 B11R0.9 CCNC(=O)CCC(OC)OC 240690a_100015525214_200000082759 [0,1,0,0,0,1|2,0,0]=4 4965 B11R0.9 CCNC(=O)CCC(OC)OC 527a_100015525214_200000082759 [0,1,0,0,0,1|2,0,0]=4 4966 B11R0.9 CCNC(=O)CCN(CC)CC 11a_100015525214_100000750416 [0,1,0,0,0,1|2,0,0]=4 4967 B11R0.9 CCNC(=O)CCN(CC)CC 2230a_100000724800_100000737597 [0,1,0,0,0,1|2,0,0]=4 4968 B11R0.9 CCNC(=O)CCN(CC)CC 240690a_100015525214_100000750416 [0,1,0,0,0,1|2,0,0]=4 4969 B11R0.9 CCNC(=O)CCN(CC)CC 269956a_100000042499_100000737597 [0,1,0,0,0,1|2,0,0]=4 4970 B11R0.9 CCNC(=O)CCN(CC)CC 269982a_100000724800_100000737597 [0,1,0,0,0,1|2,0,0]=4 4971 B11R0.9 CCNC(=O)CNC(CC)CC 2230a_100000199018_100000183381 [0,1,0,0,0,1|1,0,0]=3 4972 B11R0.9 CCNC(=O)CNC(CC)CC 270004a_100016988866_100000210860 [0,1,0,0,0,1|1,0,0]=3 4973 B11R0.9 CCNC(=O)CNC(CO)CO 2230a_100000759517_100000183381 [0,1,0,0,0,1|2,0,0]=4 4974 B11R0.9 CCNC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000183381 [0,1,0,0,0,1|1,0,0]=3 4975 B11R0.9 CCNC(=O)COC(CC)CC 11a_100015525214_100012002705 [0,1,0,0,0,1|1,0,0]=3 4976 B11R0.9 CCNC(=O)COC(CC)CC 240690a_100015525214_100012002705 [0,1,0,0,0,1|1,0,0]=3 4977 B11R0.9 CCNC(=O)COC(CC)CC 527a_100015525214_100012002705 [0,1,0,0,0,1|1,0,0]=3 4978 B11R0.9 CCNC(=O)COC(CC)CC 7a_100000688536_100000183381 [0,1,0,0,0,1|1,0,0]=3 4979 B11R0.9 CCNC(=O)COC(CCl)CCl 7a_100000737055_100000183381 [0,1,0,0,0,1|2,0,0]=4 4980 B11R0.9 CCNC(=O)COC(CF)CF 34a_100000032261_100000183381 [0,1,0,0,0,1|2,0,0]=4 4981 B11R0.9 CCNC(=O)COC(CF)CF 7a_100000032261_100000183381 [0,1,0,0,0,1|2,0,0]=4 4982 B11R0.9 CCNC(=O)COC(CN)CN 34a_100000031598_100000183381 [0,1,0,0,0,1|2,0,0]=4 4983 B11R0.9 CCNC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000183381 [0,1,0,0,0,1|2,0,0]=4 4984 B11R0.9 CCNC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000183381 [0,1,0,0,0,1|2,0,0]=4 4985 B11R0.9 CCNC(=O)CSC(CC)CC 62a_100000183381_100000210505 [0,1,0,0,0,1|1,0,0]=3 4986 B11R0.9 CCNC(=O)CSC(CC)CC 62a_100000210505_100000183381 [0,1,0,0,0,1|1,0,0]=3 4987 B11R0.9 CCNC(=O)NCC(CC)CC 2708a_100015525214_100102946423 [0,1,0,0,0,1|1,0,0]=3 4988 B11R0.9 CCNC(=O)NCC(CC)CC 2708a_100102946423_100015525214 [0,1,0,0,0,1|1,0,0]=3 4989 B11R0.9 CCNC(=O)NCC(CC)CC 273464a_100015525214_100102946423 [0,1,0,0,0,1|1,0,0]=3 4990 B11R0.9 CCNC(=O)NCC(CC)CC 273464a_100102946423_100015525214 [0,1,0,0,0,1|1,0,0]=3 4991 B11R0.9 CCNC(=O)NCC(CC)CC 512a_100015525214_100102946423 [0,1,0,0,0,1|1,0,0]=3 4992 B11R0.9 CCNC(=O)NCC(CC)CC 512a_100102946423_100015525214 [0,1,0,0,0,1|1,0,0]=3 4993 B11R0.9 CCNC(=O)NCC(CC)OC 2708a_100000731041_100015525214 [0,1,0,0,0,1|1,0,0]=3 4994 B11R0.9 CCNC(=O)NCC(CC)OC 2708a_100015525214_100000731041 [0,1,0,0,0,1|1,0,0]=3 4995 B11R0.9 CCNC(=O)NCC(CC)OC 273464a_100000731041_100015525214 [0,1,0,0,0,1|1,0,0]=3 4996 B11R0.9 CCNC(=O)NCC(CC)OC 273464a_100015525214_100000731041 [0,1,0,0,0,1|1,0,0]=3 4997 B11R0.9 CCNC(=O)NCC(CC)OC 512a_100000731041_100015525214 [0,1,0,0,0,1|1,0,0]=3 4998 B11R0.9 CCNC(=O)NCC(CC)OC 512a_100015525214_100000731041 [0,1,0,0,0,1|1,0,0]=3 4999 B11R0.9 CCNC(=O)NCC(OC)OC 2708a_100000210479_100015525214 [0,1,0,0,0,1|2,0,0]=4 5000 B11R0.9 CCNC(=O)NCC(OC)OC 273464a_100000210479_100015525214 [0,1,0,0,0,1|2,0,0]=4 5001 B11R0.9 CCNC(=O)NCC(OC)OC 273464a_100015525214_100000210479 [0,1,0,0,0,1|2,0,0]=4 5002 B11R0.9 CCNC(=O)NCC(OC)OC 512a_100000210479_100015525214 [0,1,0,0,0,1|2,0,0]=4 5003 B11R0.9 CCNC(=O)NCC(OC)OC 512a_100015525214_100000210479 [0,1,0,0,0,1|2,0,0]=4 5004 B11R0.9 CCNC(=O)NNC(CC)CC 273464a_100015525214_100000756293 [0,1,0,0,0,1|2,0,0]=4 5005 B11R0.9 CCNC(=O)NNC(CC)CC 512a_100000756293_100015525214 [0,1,0,0,0,1|2,0,0]=4 5006 B11R0.9 CCNC(=O)NNC(CC)CC 512a_100015525214_100000756293 [0,1,0,0,0,1|2,0,0]=4 5007 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_100000724800_100011206558 [0,1,0,0,0,1|1,0,0]=3 5008 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_200011277716_100000210202 [0,1,0,0,0,1|1,0,0]=3 5009 B11R0.9 CCOC(=O)CCN(CC)CC 269956a_100000042499_100000765890 [0,1,0,0,0,1|1,0,0]=3 5010 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_100000724800_100011206558 [0,1,0,0,0,1|1,0,0]=3 5011 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_200011277716_100000204670 [0,1,0,0,0,1|1,0,0]=3 5012 B11R0.9 CCOC(=O)CCN(CC)CF 269982a_200011277716_100015361967 [0,1,0,0,0,1|1,0,0]=3 5013 B11R0.9 CCOC(=O)CNC(CC)CC 2230a_100000199018_100000188475 [0,1,0,0,0,1|0,0,0]=2 5014 B11R0.9 CCOC(=O)CNC(CO)CO 2230a_100000759517_100000188475 [0,1,0,0,0,1|1,0,0]=3 5015 B11R0.9 CCOC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000188475 [0,1,0,0,0,1|0,0,0]=2 5016 B11R0.9 CCOC(=O)COC(CC)CC 7a_100000688536_100000188475 [0,1,0,0,0,1|0,0,0]=2 5017 B11R0.9 CCOC(=O)COC(CCl)CCl 7a_100000737055_100000188475 [0,1,0,0,0,1|1,0,0]=3 5018 B11R0.9 CCOC(=O)COC(CF)CF 34a_100000032261_100000188475 [0,1,0,0,0,1|1,0,0]=3 5019 B11R0.9 CCOC(=O)COC(CF)CF 7a_100000032261_100000188475 [0,1,0,0,0,1|1,0,0]=3 5020 B11R0.9 CCOC(=O)COC(CN)CN 34a_100000031598_100000188475 [0,1,0,0,0,1|1,0,0]=3 5021 B11R0.9 CCOC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000188475 [0,1,0,0,0,1|1,0,0]=3 5022 B11R0.9 CCOC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000188475 [0,1,0,0,0,1|1,0,0]=3 5023 B11R0.9 CCOC(=O)CSC(CC)CC 62a_100000188475_100000210505 [0,1,0,0,0,1|0,0,0]=2 5024 B11R0.9 CCOC(=O)CSC(CC)CC 62a_100000210505_100000188475 [0,1,0,0,0,1|0,0,0]=2 5025 B11R0.9 CC[C@@H](CO)NCC(=O)NCO 2230a_100000709445_100000185155 [0,1,0,0,0,1|2,0,0]=4 5026 B11R0.43 C#CC(C)NC(C)C(=O)OCC 2230a_100000707721_100011215307 [0,1,0,0,0,1|0,0,2]=4 5027 B11R0.43 C#CC(C)NC(C)C(=O)OCC 34a_100000707721_100011216346 [0,1,0,0,0,1|0,0,2]=4 5028 B11R0.43 C#CC(C)NC(F)C(=O)OCC 2230a_100000707721_100000760018 [0,1,0,0,0,1|0,0,2]=4 5029 B11R0.43 C#CC(C)NC(F)C(=O)OCC 34a_100000707721_100000760018 [0,1,0,0,0,1|0,0,2]=4 5030 B11R0.43 C#CC(C)SC(C)C(=O)OCC 62a_200000035995_100011216346 [0,1,0,0,0,1|0,0,2]=4 5031 B11R0.43 C#CC(C)SC(F)C(=O)OCC 62a_200000035995_100000760018 [0,1,0,0,0,1|0,0,2]=4 5032 B11R0.43 C#C[C@@H](C)OC(C)C(=O)OCC 34a_100009815206_100011216346 [0,1,0,0,0,1|0,0,2]=4 5033 B11R0.43 C#C[C@@H](C)OC(C)C(=O)OCC 7a_100009815206_100011216346 [0,1,0,0,0,1|0,0,2]=4 5034 B11R0.43 C#C[C@@H](C)OC(F)C(=O)OCC 34a_100009815206_100000760018 [0,1,0,0,0,1|0,0,2]=4 5035 B11R0.43 C#C[C@@H](C)OC(F)C(=O)OCC 7a_100009815206_100000040065 [0,1,0,0,0,1|0,0,2]=4 5036 B11R0.43 C=C(CN(C)CC)C(=O)OCC 269982a_100000225621_100000755967 [0,1,0,0,0,1|1,0,0]=3 5037 B11R0.43 C=CC(C)OC(C)C(=O)OCC 34a_100000695699_100011216346 [0,1,0,0,0,1|0,0,2]=4 5038 B11R0.43 C=CC(C)OC(F)C(=O)OCC 34a_100000695699_100000760018 [0,1,0,0,0,1|0,0,2]=4 5039 B11R0.43 C=CC(C)SC(C)C(=O)OCC 62a_100011215867_100011216346 [0,1,0,0,0,1|0,0,2]=4 5040 B11R0.43 C=CC(C)SC(F)C(=O)OCC 62a_100011215867_100000760018 [0,1,0,0,0,1|0,0,2]=4 5041 B11R0.43 CC/C=C(\C)/C(=O)CC(C)CC 1458a_100016988807_100000748023 [0,1,0,0,0,1|2,0,0]=4 5042 B11R0.43 CC/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_100016988807_100009816398 [0,1,0,0,0,1|2,0,0]=4 5043 B11R0.43 CC=CC(=O)N(C)CC(C)CC 11a_100000753921_100000210699 [0,1,0,0,0,1|1,0,1]=4 5044 B11R0.43 CC=CC(=O)N(C)CC(C)CC 1626a_100000753921_100000210699 [0,1,0,0,0,1|1,0,1]=4 5045 B11R0.43 CC=CC(=O)N(C)CC(C)CC 240690a_100000753921_100000210699 [0,1,0,0,0,1|1,0,1]=4 5046 B11R0.43 CCC(C)CN(C)C(=O)CCO 240690a_100000753921_100011216618 [0,1,0,0,0,1|2,0,0]=4 5047 B11R0.43 CCC(C)CN(C)C(=O)COC 11a_100000753921_100000210968 [0,1,0,0,0,1|2,0,0]=4 5048 B11R0.43 CCC(C)CN(C)C(=O)COC 1626a_100000753921_100000210968 [0,1,0,0,0,1|2,0,0]=4 5049 B11R0.43 CCC(C)CN(C)C(=O)COC 240690a_100000753921_100000210968 [0,1,0,0,0,1|2,0,0]=4 5050 B11R0.43 CCC(C)CN(C)C(=O)COC 527a_100000753921_100000210968 [0,1,0,0,0,1|2,0,0]=4 5051 B11R0.43 CCC(C)CN(C)C(=O)CSC 11a_100000753921_100000184570 [0,1,0,0,0,1|2,0,0]=4 5052 B11R0.43 CCC(C)CN(C)C(=O)CSC 1626a_100000753921_100000184570 [0,1,0,0,0,1|2,0,0]=4 5053 B11R0.43 CCC(C)CN(C)C(=O)CSC 240690a_100000753921_100000184570 [0,1,0,0,0,1|2,0,0]=4 5054 B11R0.43 CCC(C)CN(C)C(=O)CSC 527a_100000753921_100000184570 [0,1,0,0,0,1|2,0,0]=4 5055 B11R0.43 CCCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210303 [0,1,0,0,0,1|1,0,1]=4 5056 B11R0.43 CCCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210303 [0,1,0,0,0,1|2,0,0]=4 5057 B11R0.43 CCCC(=O)N(C)CC(C)CC 11a_100000753921_100000211992 [0,1,0,0,0,1|1,0,0]=3 5058 B11R0.43 CCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000211992 [0,1,0,0,0,1|1,0,0]=3 5059 B11R0.43 CCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000211992 [0,1,0,0,0,1|1,0,0]=3 5060 B11R0.43 CCCC(=O)N(C)CC(C)CC 527a_100000753921_100000211992 [0,1,0,0,0,1|1,0,0]=3 5061 B11R0.43 CCNC(=O)C(=O)CC(C)CC 1458a_200011297158_100000748023 [0,1,0,0,0,1|1,0,0]=3 5062 B11R0.43 CCNC(=O)C(=O)CC(O)CC 1458a_200011297158_100011218378 [0,1,0,0,0,1|2,0,0]=4 5063 B11R0.43 CCNC(=O)C(=O)C[C@@H](C)CC 1458a_200011297158_100009816398 [0,1,0,0,0,1|1,0,0]=3 5064 B11R0.43 CCNC(=O)C(=O)C[C@@H](C)CO 1458a_200011297158_100000059175 [0,1,0,0,0,1|2,0,0]=4 5065 B11R0.43 CCNC(=O)C(=O)NC(C)CC 1626a_100000209981_200011297158 [0,1,0,0,0,1|1,0,1]=4 5066 B11R0.43 CCNC(=O)C(=O)NC(C)CC 240690a_100000209981_200011297158 [0,1,0,0,0,1|1,0,1]=4 5067 B11R0.43 CCNC(=O)C(=O)NC(C)CC 240690a_100015525214_200011297154 [0,1,0,0,0,1|1,0,1]=4 5068 B11R0.43 CCNC(=O)C(=O)NC(C)CC 527a_100000209981_200011297158 [0,1,0,0,0,1|1,0,1]=4 5069 B11R0.43 CCNC(=O)C(=O)NC(C)CC 527a_100015525214_200011297154 [0,1,0,0,0,1|1,0,1]=4 5070 B11R0.43 CCNC(=O)C(C)CN(C)CC 11a_100015525214_200015185930 [0,1,0,0,0,1|2,0,0]=4 5071 B11R0.43 CCNC(=O)C(C)CN(C)CC 240690a_100015525214_200015185930 [0,1,0,0,0,1|2,0,0]=4 5072 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000209981_100000230173 [0,1,0,0,0,1|1,0,0]=3 5073 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000736553_100000758301 [0,1,0,0,0,1|1,0,0]=3 5074 B11R0.43 CCNC(=O)C(C)NC(C)CC 34a_100000736553_100011215416 [0,1,0,0,0,1|1,0,0]=3 5075 B11R0.43 CCNC(=O)C(C)NC(C)CO 2230a_100000736553_100012180447 [0,1,0,0,0,1|2,0,0]=4 5076 B11R0.43 CCNC(=O)C(C)NC(C)CO 34a_100000736553_100012180447 [0,1,0,0,0,1|2,0,0]=4 5077 B11R0.43 CCNC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000230173 [0,1,0,0,0,1|2,0,0]=4 5078 B11R0.43 CCNC(=O)C(C)OC(C)CC 7a_100000210228_100000230173 [0,1,0,0,0,1|1,0,0]=3 5079 B11R0.43 CCNC(=O)C(C)OC(C)CF 34a_100016041109_100000230173 [0,1,0,0,0,1|2,0,0]=4 5080 B11R0.43 CCNC(=O)C(C)OC(C)CF 7a_100016041109_100000230173 [0,1,0,0,0,1|2,0,0]=4 5081 B11R0.43 CCNC(=O)C(C)OC(C)CN 34a_100000210904_100000230173 [0,1,0,0,0,1|2,0,0]=4 5082 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000230173_100000758301 [0,1,0,0,0,1|1,0,0]=3 5083 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000758301_100000230173 [0,1,0,0,0,1|1,0,0]=3 5084 B11R0.43 CCNC(=O)C(C)SC(C)CO 62a_100012180447_100000230173 [0,1,0,0,0,1|2,0,0]=4 5085 B11R0.43 CCNC(=O)C(C)SC(C)OC 62a_100000230173_100009879195 [0,1,0,0,0,1|2,0,0]=4 5086 B11R0.43 CCNC(=O)C(C)SC(C)OC 62a_100009879195_100000230173 [0,1,0,0,0,1|2,0,0]=4 5087 B11R0.43 CCNC(=O)C(C)S[C@H](C)CO 62a_100000230173_100016084084 [0,1,0,0,0,1|2,0,0]=4 5088 B11R0.43 CCNC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000230173 [0,1,0,0,0,1|2,0,0]=4 5089 B11R0.43 CCNC(=O)N(C)CC(C)CC 2708a_100015525214_100000753921 [0,1,0,0,0,1|1,0,0]=3 5090 B11R0.43 CCNC(=O)N(C)CC(C)CC 273464a_100015525214_100000753921 [0,1,0,0,0,1|1,0,0]=3 5091 B11R0.43 CCOC(=O)C(=O)CN(C)CC 269982a_100000225621_100000211299 [0,1,0,0,0,1|1,0,0]=3 5092 B11R0.43 CCOC(=O)C(=O)NC(C)CC 11a_100000209981_100014798877 [0,1,0,0,0,1|0,0,1]=3 5093 B11R0.43 CCOC(=O)C(=O)NC(C)CC 1626a_100000209981_100014798877 [0,1,0,0,0,1|0,0,1]=3 5094 B11R0.43 CCOC(=O)C(=O)NC(C)CC 240690a_100000209981_100014798877 [0,1,0,0,0,1|0,0,1]=3 5095 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CF 11a_100102880703_100014798877 [0,1,0,0,0,1|1,0,1]=4 5096 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_100014798877 [0,1,0,0,0,1|1,0,1]=4 5097 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_100014798877 [0,1,0,0,0,1|1,0,1]=4 5098 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100014798877 [0,1,0,0,0,1|1,0,1]=4 5099 B11R0.43 CCOC(=O)C(C)NC(C)C#N 2230a_100000737613_100011215307 [0,1,0,0,0,1|1,0,1]=4 5100 B11R0.43 CCOC(=O)C(C)NC(C)CC 2230a_100000209981_100011215307 [0,1,0,0,0,1|0,0,0]=2 5101 B11R0.43 CCOC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100011215307 [0,1,0,0,0,1|1,0,0]=3 5102 B11R0.43 CCOC(=O)C(C)OC(C)C#N 34a_100011218135_100011216346 [0,1,0,0,0,1|1,0,1]=4 5103 B11R0.43 CCOC(=O)C(C)OC(C)CC 7a_100000210228_100011216346 [0,1,0,0,0,1|0,0,0]=2 5104 B11R0.43 CCOC(=O)C(C)OC(C)CF 34a_100016041109_100011216346 [0,1,0,0,0,1|1,0,0]=3 5105 B11R0.43 CCOC(=O)C(C)OC(C)CF 7a_100016041109_100011216346 [0,1,0,0,0,1|1,0,0]=3 5106 B11R0.43 CCOC(=O)C(C)OC(C)CN 34a_100000210904_100011216346 [0,1,0,0,0,1|1,0,0]=3 5107 B11R0.43 CCOC(=O)C(C)SC(C)C#N 62a_100000703298_100011216346 [0,1,0,0,0,1|1,0,1]=4 5108 B11R0.43 CCOC(=O)C(C)SC(C)C#N 62a_100011216346_100000703298 [0,1,0,0,0,1|1,0,1]=4 5109 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100000758301_100011216346 [0,1,0,0,0,1|0,0,0]=2 5110 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100011216346_100000758301 [0,1,0,0,0,1|0,0,0]=2 5111 B11R0.43 CCOC(=O)C(C)SC(C)CO 62a_100012180447_100011216346 [0,1,0,0,0,1|1,0,0]=3 5112 B11R0.43 CCOC(=O)C(C)SC(C)OC 62a_100009879195_100011216346 [0,1,0,0,0,1|1,0,0]=3 5113 B11R0.43 CCOC(=O)C(C)SC(C)OC 62a_100011216346_100009879195 [0,1,0,0,0,1|1,0,0]=3 5114 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100011216346_100016084084 [0,1,0,0,0,1|1,0,0]=3 5115 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100016084084_100011216346 [0,1,0,0,0,1|1,0,0]=3 5116 B11R0.43 CCOC(=O)C(F)NC(C)C#N 2230a_100000737613_100000760018 [0,1,0,0,0,1|1,0,1]=4 5117 B11R0.43 CCOC(=O)C(F)NC(C)CC 2230a_100000209981_100000760018 [0,1,0,0,0,1|0,0,0]=2 5118 B11R0.43 CCOC(=O)C(F)N[C@H](C)CO 2230a_100000737577_100000760018 [0,1,0,0,0,1|1,0,0]=3 5119 B11R0.43 CCOC(=O)C(F)OC(C)C#N 34a_100011218135_100000760018 [0,1,0,0,0,1|1,0,1]=4 5120 B11R0.43 CCOC(=O)C(F)OC(C)CC 7a_100000210228_100000040065 [0,1,0,0,0,1|0,0,0]=2 5121 B11R0.43 CCOC(=O)C(F)OC(C)CF 34a_100016041109_100000760018 [0,1,0,0,0,1|1,0,0]=3 5122 B11R0.43 CCOC(=O)C(F)OC(C)CF 7a_100016041109_100000040065 [0,1,0,0,0,1|1,0,0]=3 5123 B11R0.43 CCOC(=O)C(F)OC(C)CN 34a_100000210904_100000760018 [0,1,0,0,0,1|1,0,0]=3 5124 B11R0.43 CCOC(=O)C(F)SC(C)C#N 62a_100000703298_100000760018 [0,1,0,0,0,1|1,0,1]=4 5125 B11R0.43 CCOC(=O)C(F)SC(C)C#N 62a_100000760018_100000703298 [0,1,0,0,0,1|1,0,1]=4 5126 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000758301_100000760018 [0,1,0,0,0,1|0,0,0]=2 5127 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000760018_100000758301 [0,1,0,0,0,1|0,0,0]=2 5128 B11R0.43 CCOC(=O)C(F)SC(C)CO 62a_100012180447_100000760018 [0,1,0,0,0,1|1,0,0]=3 5129 B11R0.43 CCOC(=O)C(F)SC(C)OC 62a_100000760018_100009879195 [0,1,0,0,0,1|1,0,0]=3 5130 B11R0.43 CCOC(=O)C(F)SC(C)OC 62a_100009879195_100000760018 [0,1,0,0,0,1|1,0,0]=3 5131 B11R0.43 CCOC(=O)C(F)S[C@H](C)CO 62a_100000760018_100016084084 [0,1,0,0,0,1|1,0,0]=3 5132 B11R0.43 CCOC(=O)C(F)S[C@H](C)CO 62a_100016084084_100000760018 [0,1,0,0,0,1|1,0,0]=3 5133 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CC 188690a_100016988386_100000210414 [0,1,0,0,0,1|1,0,1]=4 5134 B11R0.43 CCOC(=O)[C@H](C)OC(C)C#N 7a_100000751109_100000703298 [0,1,0,0,0,1|1,0,1]=4 5135 B11R0.43 CCOC(=O)[C@H](C)OC(C)CC 7a_100000751109_100000758301 [0,1,0,0,0,1|0,0,0]=2 5136 B11R0.43 CCOC(=O)[C@H](C)OC(C)CO 7a_100000751109_100012180447 [0,1,0,0,0,1|1,0,0]=3 5137 B11R0.43 CCOC(C)C(=O)CC(C)CC 1458a_100000739345_100000748023 [0,1,0,0,0,1|1,0,1]=4 5138 B11R0.43 CCOC(C)C(=O)C[C@@H](C)CC 1458a_100000739345_100009816398 [0,1,0,0,0,1|1,0,1]=4 5139 B11R0.43 CCSC(=O)[C@H](C)NC(C)CC 2230a_100103168634_100000758301 [0,1,0,0,0,1|0,1,0]=3 5140 B11R0.43 CCSC(=O)[C@H](C)NC(C)CO 2230a_100103168634_100012180447 [0,1,0,0,0,1|1,1,0]=4 5141 B11R0.62 C#CCC(C)OCC(=O)CCC 7a_100000685586_100000747444 [0,1,0,0,0,1|1,0,1]=4 5142 B11R0.62 C#CCC(C)OCC(=O)NCC 34a_100000685586_100000183381 [0,1,0,0,0,1|1,0,1]=4 5143 B11R0.62 C#CCC(C)OCC(=O)NCC 7a_100000685586_100000183381 [0,1,0,0,0,1|1,0,1]=4 5144 B11R0.62 C#CCC(C)OCC(=O)OCC 34a_100000685586_100000188475 [0,1,0,0,0,1|0,0,1]=3 5145 B11R0.62 C#CCC(C)OCC(=O)OCC 7a_100000685586_100000188475 [0,1,0,0,0,1|0,0,1]=3 5146 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000225692_100011206558 [0,1,0,0,0,1|1,0,1]=4 5147 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000745921_100000038162 [0,1,0,0,0,1|1,0,1]=4 5148 B11R0.62 C#CCN(C)CCC(=O)OCC 34a_100000225692_100000765890 [0,1,0,0,0,1|1,0,1]=4 5149 B11R0.62 C/C=C/C(C)OCC(=O)NCC 34a_200102604097_100000183381 [0,1,0,0,0,1|1,0,1]=4 5150 B11R0.62 C/C=C/C(C)OCC(=O)OCC 34a_200102604097_100000188475 [0,1,0,0,0,1|0,0,1]=3 5151 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000225617_100011206558 [0,1,0,0,0,1|1,0,1]=4 5152 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000745921_100000210623 [0,1,0,0,0,1|1,0,1]=4 5153 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000225617_100011206558 [0,1,0,0,0,1|1,0,1]=4 5154 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000745921_100000210623 [0,1,0,0,0,1|1,0,1]=4 5155 B11R0.62 C=CC[C@@H](C)OCC(=O)CCC 7a_100000731007_100000747444 [0,1,0,0,0,1|1,0,1]=4 5156 B11R0.62 C=CC[C@@H](C)OCC(=O)NCC 34a_100000731007_100000183381 [0,1,0,0,0,1|1,0,1]=4 5157 B11R0.62 C=CC[C@@H](C)OCC(=O)NCC 7a_100000731007_100000183381 [0,1,0,0,0,1|1,0,1]=4 5158 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 34a_100000731007_100000188475 [0,1,0,0,0,1|0,0,1]=3 5159 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 7a_100000731007_100000188475 [0,1,0,0,0,1|0,0,1]=3 5160 B11R0.62 C=COC(=O)CNC(C)CCC 2230a_100000741246_100000036128 [0,1,0,0,0,1|0,0,2]=4 5161 B11R0.62 C=COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000036128 [0,1,0,0,0,1|0,0,2]=4 5162 B11R0.62 C=COC(=O)CN[C@H](C)CCO 34a_100000706166_100000036128 [0,1,0,0,0,1|0,0,2]=4 5163 B11R0.62 C=COC(=O)CN[C@H](C)COC 2230a_100000764878_100000036128 [0,1,0,0,0,1|0,0,2]=4 5164 B11R0.62 C=COC(=O)COC(C)CCBr 34a_100012276601_100000036128 [0,1,0,0,0,1|0,0,2]=4 5165 B11R0.62 C=COC(=O)COC(C)CCC 34a_100000764384_100000036128 [0,1,0,0,0,1|0,0,2]=4 5166 B11R0.62 C=COC(=O)CO[C@H](C)COC 34a_100011934205_100000036128 [0,1,0,0,0,1|0,0,2]=4 5167 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000036128_100000766640 [0,1,0,0,0,1|0,0,2]=4 5168 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000766640_100000036128 [0,1,0,0,0,1|0,0,2]=4 5169 B11R0.62 C=COC(=O)CSC(C)CCO 62a_100000036128_100009893172 [0,1,0,0,0,1|0,0,2]=4 5170 B11R0.62 C=COC(=O)CSC(C)CCO 62a_100009893172_100000036128 [0,1,0,0,0,1|0,0,2]=4 5171 B11R0.62 C=COC(=O)CSC(C)COC 62a_100000036128_100000765312 [0,1,0,0,0,1|0,0,2]=4 5172 B11R0.62 C=COC(=O)CSC(C)COC 62a_100000765312_100000036128 [0,1,0,0,0,1|0,0,2]=4 5173 B11R0.62 CC#CC(C)OCC(=O)NCC 34a_100011216543_100000183381 [0,1,0,0,0,1|1,0,1]=4 5174 B11R0.62 CC#CC(C)OCC(=O)OCC 34a_100011216543_100000188475 [0,1,0,0,0,1|0,0,1]=3 5175 B11R0.62 CC(CCBr)OCC(=O)NCO 34a_100012276601_100000185155 [0,1,0,0,0,1|2,0,0]=4 5176 B11R0.62 CC(CCO)SCC(=O)NCO 62a_100000185155_100009893172 [0,1,0,0,0,1|2,0,0]=4 5177 B11R0.62 CC(CCO)SCC(=O)NCO 62a_100009893172_100000185155 [0,1,0,0,0,1|2,0,0]=4 5178 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,1,0,0,0,1|1,0,1]=4 5179 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,1,0,0,0,1|1,0,1]=4 5180 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,1,0,0,0,1|1,0,0]=3 5181 B11R0.62 CCCC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000747444 [0,1,0,0,0,1|1,0,1]=4 5182 B11R0.62 CCCC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747444 [0,1,0,0,0,1|1,0,0]=3 5183 B11R0.62 CCCC(=O)CN[C@H](C)COC 2230a_100000764878_100000747444 [0,1,0,0,0,1|1,0,0]=3 5184 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,1,0,0,0,1|1,0,0]=3 5185 B11R0.62 CCCC(=O)CSC(C)CC#N 62a_100000747444_100009813641 [0,1,0,0,0,1|1,0,1]=4 5186 B11R0.62 CCCC(=O)CSC(C)CC#N 62a_100009813641_100000747444 [0,1,0,0,0,1|1,0,1]=4 5187 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,1,0,0,0,1|1,0,0]=3 5188 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,1,0,0,0,1|1,0,0]=3 5189 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100000747444_100009893172 [0,1,0,0,0,1|1,0,0]=3 5190 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100009893172_100000747444 [0,1,0,0,0,1|1,0,0]=3 5191 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000747444_100000765312 [0,1,0,0,0,1|1,0,0]=3 5192 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000765312_100000747444 [0,1,0,0,0,1|1,0,0]=3 5193 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,1,0,0,0,1|1,0,1]=4 5194 B11R0.62 CCCC(=O)NCC(O)COC 240690a_100000756049_100000211992 [0,1,0,0,0,1|2,0,0]=4 5195 B11R0.62 CCCC(=O)NCC(O)COC 527a_100000756049_100000211992 [0,1,0,0,0,1|2,0,0]=4 5196 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,1,0,0,0,1|2,0,0]=4 5197 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,1,0,0,0,1|2,0,0]=4 5198 B11R0.62 CCCC(=O)OCN(C)CCO 2230a_100000210263_100000034017 [0,1,0,0,0,1|2,0,0]=4 5199 B11R0.62 CCCC(=O)OCN(C)CCO 269982a_100000210263_100000034017 [0,1,0,0,0,1|2,0,0]=4 5200 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [0,1,0,0,0,1|1,0,0]=3 5201 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [0,1,0,0,0,1|1,0,0]=3 5202 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [0,1,0,0,0,1|1,0,0]=3 5203 B11R0.62 CCCC(C)NCC(=O)NCO 2230a_100000741246_100000185155 [0,1,0,0,0,1|2,0,0]=4 5204 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,1,0,0,0,1|0,0,0]=2 5205 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,1,0,0,0,1|1,0,0]=3 5206 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,1,0,0,0,1|1,0,0]=3 5207 B11R0.62 CCCC(C)OCC(=O)NCO 34a_100000764384_100000185155 [0,1,0,0,0,1|2,0,0]=4 5208 B11R0.62 CCCC(C)OCC(=O)NCO 7a_100000764384_100000185155 [0,1,0,0,0,1|2,0,0]=4 5209 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,1,0,0,0,1|0,0,0]=2 5210 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,1,0,0,0,1|0,0,0]=2 5211 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [0,1,0,0,0,1|1,0,0]=3 5212 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [0,1,0,0,0,1|1,0,0]=3 5213 B11R0.62 CCCC(C)SCC(=O)NCO 62a_100000185155_100000766640 [0,1,0,0,0,1|2,0,0]=4 5214 B11R0.62 CCCC(C)SCC(=O)NCO 62a_100000766640_100000185155 [0,1,0,0,0,1|2,0,0]=4 5215 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,1,0,0,0,1|0,0,0]=2 5216 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,1,0,0,0,1|0,0,0]=2 5217 B11R0.62 CCCN(C)CCC(=O)NCC 2230a_100000747261_100000737597 [0,1,0,0,0,1|2,0,0]=4 5218 B11R0.62 CCCN(C)CCC(=O)NCC 269982a_100000747261_100000737597 [0,1,0,0,0,1|2,0,0]=4 5219 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,1,0,0,0,1|1,0,0]=3 5220 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,1,0,0,0,1|1,0,0]=3 5221 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,1,0,0,0,1|1,0,0]=3 5222 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,1,0,0,0,1|1,0,0]=3 5223 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,1,0,0,0,1|1,0,1]=4 5224 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,1,0,0,0,1|1,0,1]=4 5225 B11R0.62 CCNC(=O)CCN(C)CCO 2230a_100000210263_100000737597 [0,1,0,0,0,1|2,0,0]=4 5226 B11R0.62 CCNC(=O)CCN(C)CCO 269982a_100000210263_100000737597 [0,1,0,0,0,1|2,0,0]=4 5227 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [0,1,0,0,0,1|1,0,1]=4 5228 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [0,1,0,0,0,1|1,0,1]=4 5229 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [0,1,0,0,0,1|1,0,1]=4 5230 B11R0.62 CCNC(=O)CNC(C)CC#N 2230a_100016988866_100009813641 [0,1,0,0,0,1|1,0,1]=4 5231 B11R0.62 CCNC(=O)CNC(C)CCO 2230a_100016988866_100009893172 [0,1,0,0,0,1|1,0,0]=3 5232 B11R0.62 CCNC(=O)CNC(C)COC 2230a_100016988866_100000765312 [0,1,0,0,0,1|1,0,0]=3 5233 B11R0.62 CCNC(=O)CNC(C)COC 270004a_100016988866_100000749346 [0,1,0,0,0,1|1,0,0]=3 5234 B11R0.62 CCNC(=O)CNC(C)CSC 270004a_100016988866_100011216314 [0,1,0,0,0,1|1,0,0]=3 5235 B11R0.62 CCNC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000183381 [0,1,0,0,0,1|1,0,1]=4 5236 B11R0.62 CCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183381 [0,1,0,0,0,1|1,0,0]=3 5237 B11R0.62 CCNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183381 [0,1,0,0,0,1|1,0,0]=3 5238 B11R0.62 CCNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183381 [0,1,0,0,0,1|1,0,0]=3 5239 B11R0.62 CCNC(=O)COC(C)CCBr 34a_100012276601_100000183381 [0,1,0,0,0,1|1,0,0]=3 5240 B11R0.62 CCNC(=O)CO[C@H](C)COC 34a_100011934205_100000183381 [0,1,0,0,0,1|1,0,0]=3 5241 B11R0.62 CCNC(=O)CSC(C)CC#N 62a_100000183381_100009813641 [0,1,0,0,0,1|1,0,1]=4 5242 B11R0.62 CCNC(=O)CSC(C)CC#N 62a_100009813641_100000183381 [0,1,0,0,0,1|1,0,1]=4 5243 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100000183381_100009893172 [0,1,0,0,0,1|1,0,0]=3 5244 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100009893172_100000183381 [0,1,0,0,0,1|1,0,0]=3 5245 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000183381_100000765312 [0,1,0,0,0,1|1,0,0]=3 5246 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000765312_100000183381 [0,1,0,0,0,1|1,0,0]=3 5247 B11R0.62 CCNC(=O)NCC(O)COC 2708a_100015525214_100000756049 [0,1,0,0,0,1|2,0,0]=4 5248 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100000756049_100015525214 [0,1,0,0,0,1|2,0,0]=4 5249 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100015525214_100000756049 [0,1,0,0,0,1|2,0,0]=4 5250 B11R0.62 CCNC(=O)NCC(O)COC 512a_100000756049_100015525214 [0,1,0,0,0,1|2,0,0]=4 5251 B11R0.62 CCNC(=O)NCC(O)COC 512a_100015525214_100000756049 [0,1,0,0,0,1|2,0,0]=4 5252 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,1,0,0,0,1|0,0,0]=2 5253 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,1,0,0,0,1|1,0,1]=4 5254 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,1,0,0,0,1|1,0,1]=4 5255 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,1,0,0,0,1|0,0,0]=2 5256 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,1,0,0,0,1|0,0,0]=2 5257 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,1,0,0,0,1|0,0,0]=2 5258 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100000748298_100015361967 [0,1,0,0,0,1|1,0,0]=3 5259 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100015361967_100000748298 [0,1,0,0,0,1|1,0,0]=3 5260 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000745921_100011215382 [0,1,0,0,0,1|1,0,1]=4 5261 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000748184_100011206558 [0,1,0,0,0,1|1,0,1]=4 5262 B11R0.62 CCOC(=O)CCN(C)CC#N 269982a_100000745921_100011214920 [0,1,0,0,0,1|1,0,1]=4 5263 B11R0.62 CCOC(=O)CCN(C)CC=O 2230a_100000745921_200015260668 [0,1,0,0,0,1|1,0,1]=4 5264 B11R0.62 CCOC(=O)CCN(C)CC=O 269982a_100000745921_200015260668 [0,1,0,0,0,1|1,0,1]=4 5265 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,1,0,0,0,1|1,0,0]=3 5266 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,1,0,0,0,1|1,0,0]=3 5267 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,1,0,0,0,1|1,0,0]=3 5268 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,1,0,0,0,1|1,0,0]=3 5269 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,1,0,0,0,1|1,0,0]=3 5270 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,1,0,0,0,1|1,0,0]=3 5271 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,1,0,0,0,1|1,0,0]=3 5272 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,1,0,0,0,1|1,0,0]=3 5273 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,1,0,0,0,1|1,0,0]=3 5274 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,1,0,0,0,1|1,0,0]=3 5275 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [0,1,0,0,0,1|1,0,1]=4 5276 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [0,1,0,0,0,1|1,0,1]=4 5277 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [0,1,0,0,0,1|1,0,1]=4 5278 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,1,0,0,0,1|1,0,1]=4 5279 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,1,0,0,0,1|1,0,1]=4 5280 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [0,1,0,0,0,1|1,0,1]=4 5281 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [0,1,0,0,0,1|1,0,1]=4 5282 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [0,1,0,0,0,1|1,0,1]=4 5283 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [0,1,0,0,0,1|1,0,1]=4 5284 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [0,1,0,0,0,1|1,0,1]=4 5285 B11R0.62 CCOC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000188475 [0,1,0,0,0,1|0,0,1]=3 5286 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [0,1,0,0,0,1|0,0,0]=2 5287 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [0,1,0,0,0,1|0,0,0]=2 5288 B11R0.62 CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000188475 [0,1,0,0,0,1|0,0,0]=2 5289 B11R0.62 CCOC(=O)COC(C)CCBr 34a_100012276601_100000188475 [0,1,0,0,0,1|0,0,0]=2 5290 B11R0.62 CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000188475 [0,1,0,0,0,1|0,0,0]=2 5291 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100000188475_100009813641 [0,1,0,0,0,1|0,0,1]=3 5292 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100009813641_100000188475 [0,1,0,0,0,1|0,0,1]=3 5293 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [0,1,0,0,0,1|0,0,0]=2 5294 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [0,1,0,0,0,1|0,0,0]=2 5295 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000188475_100000765312 [0,1,0,0,0,1|0,0,0]=2 5296 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000765312_100000188475 [0,1,0,0,0,1|0,0,0]=2 5297 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [0,1,0,0,0,1|1,0,1]=4 5298 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,1,0,0,0,1|1,0,1]=4 5299 B11R0.62 CCOC(C)COC(C)COC 34a_200011930013_100000210202 [0,1,0,0,0,1|1,0,1]=4 5300 B11R0.62 CCOC(C)COC(C)COC 7a_200011930013_100000210202 [0,1,0,0,0,1|1,0,1]=4 5301 B11R0.62 COCC(C)SCC(=O)NCO 62a_100000185155_100000765312 [0,1,0,0,0,1|2,0,0]=4 5302 B11R0.62 COCC(C)SCC(=O)NCO 62a_100000765312_100000185155 [0,1,0,0,0,1|2,0,0]=4 5303 B11R0.62 COC[C@@H](C)NCC(=O)NCO 2230a_100000764878_100000185155 [0,1,0,0,0,1|2,0,0]=4 5304 B11R0.62 COC[C@@H](C)OCC(=O)NCO 34a_100011934205_100000185155 [0,1,0,0,0,1|2,0,0]=4 5305 B11R0.62 C[C@H](CCO)NCC(=O)NCO 2230a_100000706166_100000185155 [0,1,0,0,0,1|2,0,0]=4 5306 B11R0.62 C[C@H](CCO)NCC(=O)NCO 34a_100000706166_100000185155 [0,1,0,0,0,1|2,0,0]=4 5307 B11R0.70 C#CC(C)NCC(=O)OCCC 2230a_100000707721_200011215008 [0,1,0,0,0,1|0,0,2]=4 5308 B11R0.70 C#CC(C)NCC(=O)OCCC 34a_100000707721_200011215008 [0,1,0,0,0,1|0,0,2]=4 5309 B11R0.70 C#CC(C)SCC(=O)OCCC 62a_200000035995_200011215008 [0,1,0,0,0,1|0,0,2]=4 5310 B11R0.70 C#CCCC(=O)CCC(C)CC 1458a_100000701222_100000753159 [0,1,0,0,0,1|1,0,1]=4 5311 B11R0.70 C#CCCC(=O)NCC(C)CC 11a_100020588543_100000692101 [0,1,0,0,0,1|1,0,1]=4 5312 B11R0.70 C#CCCC(=O)NCC(C)CC 1626a_100020588543_100000692101 [0,1,0,0,0,1|1,0,1]=4 5313 B11R0.70 C#CCCC(=O)NCC(C)CC 240690a_100020588543_100000692101 [0,1,0,0,0,1|1,0,1]=4 5314 B11R0.70 C#CCCC(=O)NCC(C)CC 527a_100020588543_100000692101 [0,1,0,0,0,1|1,0,1]=4 5315 B11R0.70 C#CCNC(=O)CCC(C)CC 11a_100000212058_100000701222 [0,1,0,0,0,1|1,0,1]=4 5316 B11R0.70 C#CCNC(=O)CCC(C)CC 1626a_100000212058_100000701222 [0,1,0,0,0,1|1,0,1]=4 5317 B11R0.70 C#CCNC(=O)CCC(C)CC 240690a_100000212058_100000701222 [0,1,0,0,0,1|1,0,1]=4 5318 B11R0.70 C#CCNC(=O)CCC(C)CC 527a_100000212058_100000701222 [0,1,0,0,0,1|1,0,1]=4 5319 B11R0.70 C#CCNC(=O)CNC(C)CC 2230a_100000747989_100000758301 [0,1,0,0,0,1|1,0,1]=4 5320 B11R0.70 C#CCNC(=O)CNC(C)CC 34a_100000747989_100011215416 [0,1,0,0,0,1|1,0,1]=4 5321 B11R0.70 C#CCNC(=O)NCC(C)CC 2708a_100000212058_100020588543 [0,1,0,0,0,1|1,0,1]=4 5322 B11R0.70 C#CCNC(=O)NCC(C)CC 2708a_100020588543_100000212058 [0,1,0,0,0,1|1,0,1]=4 5323 B11R0.70 C#CCNC(=O)NCC(C)CC 273464a_100000212058_100020588543 [0,1,0,0,0,1|1,0,1]=4 5324 B11R0.70 C#CCNC(=O)NCC(C)CC 273464a_100020588543_100000212058 [0,1,0,0,0,1|1,0,1]=4 5325 B11R0.70 C#CCNC(=O)NCC(C)CC 512a_100000212058_100020588543 [0,1,0,0,0,1|1,0,1]=4 5326 B11R0.70 C#CCNC(=O)NCC(C)CC 512a_100020588543_100000212058 [0,1,0,0,0,1|1,0,1]=4 5327 B11R0.70 C#C[C@@H](C)OCC(=O)OCCC 34a_100009815206_200011215008 [0,1,0,0,0,1|0,0,2]=4 5328 B11R0.70 C#C[C@@H](C)OCC(=O)OCCC 7a_100009815206_200011215008 [0,1,0,0,0,1|0,0,2]=4 5329 B11R0.70 C/C=C/CC(=O)CCC(C)CC 1458a_100000701222_100102629194 [0,1,0,0,0,1|1,0,1]=4 5330 B11R0.70 C=C(COC(C)CF)OCOC 34a_100016041109_100000042856 [0,1,0,0,0,1|2,0,0]=4 5331 B11R0.70 C=C(COC(C)CN)OCOC 34a_100000210904_100000042856 [0,1,0,0,0,1|2,0,0]=4 5332 B11R0.70 C=C(CSC(C)CC)OCOC 62a_100000042856_100000758301 [0,1,0,0,0,1|1,0,0]=3 5333 B11R0.70 C=C(CSC(C)CC)OCOC 62a_100000758301_100000042856 [0,1,0,0,0,1|1,0,0]=3 5334 B11R0.70 C=C(CSC(C)CO)OCOC 62a_100012180447_100000042856 [0,1,0,0,0,1|2,0,0]=4 5335 B11R0.70 C=C(CSC(C)OC)OCOC 62a_100000042856_100009879195 [0,1,0,0,0,1|2,0,0]=4 5336 B11R0.70 C=C(CSC(C)OC)OCOC 62a_100009879195_100000042856 [0,1,0,0,0,1|2,0,0]=4 5337 B11R0.70 C=C(CS[C@H](C)CO)OCOC 62a_100000042856_100016084084 [0,1,0,0,0,1|2,0,0]=4 5338 B11R0.70 C=C(CS[C@H](C)CO)OCOC 62a_100016084084_100000042856 [0,1,0,0,0,1|2,0,0]=4 5339 B11R0.70 C=CC(C)OCC(=O)OCCC 34a_100000695699_200011215008 [0,1,0,0,0,1|0,0,2]=4 5340 B11R0.70 C=CC(C)SCC(=O)OCCC 62a_100011215867_200011215008 [0,1,0,0,0,1|0,0,2]=4 5341 B11R0.70 C=CCCC(=O)CCC(C)CC 1458a_100000701222_100000754431 [0,1,0,0,0,1|1,0,1]=4 5342 B11R0.70 C=CCCC(=O)NCC(C)CC 11a_100020588543_100000749702 [0,1,0,0,0,1|1,0,1]=4 5343 B11R0.70 C=CCCC(=O)NCC(C)CC 1626a_100020588543_100000749702 [0,1,0,0,0,1|1,0,1]=4 5344 B11R0.70 C=CCCC(=O)NCC(C)CC 240690a_100020588543_100000749702 [0,1,0,0,0,1|1,0,1]=4 5345 B11R0.70 C=CCCC(=O)NCC(C)CC 527a_100020588543_100000749702 [0,1,0,0,0,1|1,0,1]=4 5346 B11R0.70 C=CCNC(=O)CCC(C)CC 1626a_100020586998_100000701222 [0,1,0,0,0,1|1,0,1]=4 5347 B11R0.70 C=CCNC(=O)CCC(C)CC 240690a_100020586998_100000701222 [0,1,0,0,0,1|1,0,1]=4 5348 B11R0.70 C=CCNC(=O)CCC(C)CC 527a_100020586998_100000701222 [0,1,0,0,0,1|1,0,1]=4 5349 B11R0.70 C=CCNC(=O)CNC(C)CC 2230a_100000209981_100000183597 [0,1,0,0,0,1|1,0,1]=4 5350 B11R0.70 C=CCNC(=O)COC(C)CC 7a_100000210228_100000183597 [0,1,0,0,0,1|1,0,1]=4 5351 B11R0.70 C=CCNC(=O)CSC(C)CC 62a_100000183597_100000758301 [0,1,0,0,0,1|1,0,1]=4 5352 B11R0.70 C=CCNC(=O)CSC(C)CC 62a_100000758301_100000183597 [0,1,0,0,0,1|1,0,1]=4 5353 B11R0.70 C=CCNC(=O)NCC(C)CC 2708a_100020588543_100020586998 [0,1,0,0,0,1|1,0,1]=4 5354 B11R0.70 C=CCNC(=O)NCC(C)CC 273464a_100020586998_100020588543 [0,1,0,0,0,1|1,0,1]=4 5355 B11R0.70 C=CCNC(=O)NCC(C)CC 273464a_100020588543_100020586998 [0,1,0,0,0,1|1,0,1]=4 5356 B11R0.70 C=CCNC(=O)NCC(C)CC 512a_100020586998_100020588543 [0,1,0,0,0,1|1,0,1]=4 5357 B11R0.70 C=CCNC(=O)NCC(C)CC 512a_100020588543_100020586998 [0,1,0,0,0,1|1,0,1]=4 5358 B11R0.70 C=CCOC(=O)CNC(C)CC 2230a_100000209981_100000033060 [0,1,0,0,0,1|0,0,1]=3 5359 B11R0.70 C=CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000033060 [0,1,0,0,0,1|1,0,1]=4 5360 B11R0.70 C=CCOC(=O)COC(C)CC 7a_100000210228_100000033060 [0,1,0,0,0,1|0,0,1]=3 5361 B11R0.70 C=CCOC(=O)COC(C)CF 34a_100016041109_100000033060 [0,1,0,0,0,1|1,0,1]=4 5362 B11R0.70 C=CCOC(=O)COC(C)CF 7a_100016041109_100000033060 [0,1,0,0,0,1|1,0,1]=4 5363 B11R0.70 C=CCOC(=O)COC(C)CN 34a_100000210904_100000033060 [0,1,0,0,0,1|1,0,1]=4 5364 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000033060_100000758301 [0,1,0,0,0,1|0,0,1]=3 5365 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000758301_100000033060 [0,1,0,0,0,1|0,0,1]=3 5366 B11R0.70 C=CCOC(=O)CSC(C)CO 62a_100012180447_100000033060 [0,1,0,0,0,1|1,0,1]=4 5367 B11R0.70 C=CCOC(=O)CSC(C)OC 62a_100000033060_100009879195 [0,1,0,0,0,1|1,0,1]=4 5368 B11R0.70 C=CCOC(=O)CSC(C)OC 62a_100009879195_100000033060 [0,1,0,0,0,1|1,0,1]=4 5369 B11R0.70 C=CCOC(=O)CS[C@H](C)CO 62a_100000033060_100016084084 [0,1,0,0,0,1|1,0,1]=4 5370 B11R0.70 C=CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000033060 [0,1,0,0,0,1|1,0,1]=4 5371 B11R0.70 CC#CCC(=O)CCC(C)CC 1458a_100000701222_100000748600 [0,1,0,0,0,1|1,0,1]=4 5372 B11R0.70 CC(CO)CNC(=O)NCCF 273464a_100000724931_100000744482 [0,1,0,0,0,1|2,0,0]=4 5373 B11R0.70 CC(CO)CNC(=O)NCCF 273464a_100000744482_100000724931 [0,1,0,0,0,1|2,0,0]=4 5374 B11R0.70 CC(CO)CNC(=O)NCCF 512a_100000744482_100000724931 [0,1,0,0,0,1|2,0,0]=4 5375 B11R0.70 CC(CO)CNC(=O)NCCO 273464a_100000210304_100000744482 [0,1,0,0,0,1|2,0,0]=4 5376 B11R0.70 CC(CO)CNC(=O)NCCO 273464a_100000744482_100000210304 [0,1,0,0,0,1|2,0,0]=4 5377 B11R0.70 CC(CO)CNC(=O)NCCO 512a_100000744482_100000210304 [0,1,0,0,0,1|2,0,0]=4 5378 B11R0.70 CC(CO)NCC(=O)NCCF 2230a_100000725713_100012180447 [0,1,0,0,0,1|2,0,0]=4 5379 B11R0.70 CC=CCC(=O)CCC(C)CC 1458a_100000701222_100000070051 [0,1,0,0,0,1|1,0,1]=4 5380 B11R0.70 CC=CCC(=O)NCC(C)CC 11a_100020588543_100121576822 [0,1,0,0,0,1|1,0,1]=4 5381 B11R0.70 CC=CCC(=O)NCC(C)CC 1626a_100020588543_100121576822 [0,1,0,0,0,1|1,0,1]=4 5382 B11R0.70 CC=CCC(=O)NCC(C)CC 240690a_100020588543_100121576822 [0,1,0,0,0,1|1,0,1]=4 5383 B11R0.70 CC=CCC(=O)NCC(C)CC 527a_100020588543_100121576822 [0,1,0,0,0,1|1,0,1]=4 5384 B11R0.70 CCC#CC(=O)NNC(C)CC 22a_100000718999_100011827653 [0,1,0,0,0,1|2,0,0]=4 5385 B11R0.70 CCC(C)CCC(=O)CCC#N 1458a_100000701222_100011215226 [0,1,0,0,0,1|1,0,1]=4 5386 B11R0.70 CCC(C)CCC(=O)CCCF 1458a_100000701222_100011934791 [0,1,0,0,0,1|1,0,0]=3 5387 B11R0.70 CCC(C)CCC(=O)CCCO 1458a_100000701222_100011215043 [0,1,0,0,0,1|1,0,0]=3 5388 B11R0.70 CCC(C)CCC(=O)CCOC 1458a_100000701222_100000233755 [0,1,0,0,0,1|1,0,0]=3 5389 B11R0.70 CCC(C)CCC(=O)CCSC 1458a_100000701222_100000751147 [0,1,0,0,0,1|1,0,0]=3 5390 B11R0.70 CCC(C)CCC(=O)NCC#N 1626a_100000734998_100000701222 [0,1,0,0,0,1|1,0,1]=4 5391 B11R0.70 CCC(C)CCC(=O)NCC#N 527a_100000734998_100000701222 [0,1,0,0,0,1|1,0,1]=4 5392 B11R0.70 CCC(C)CCC(=O)NCCF 11a_100000724931_100000701222 [0,1,0,0,0,1|1,0,0]=3 5393 B11R0.70 CCC(C)CCC(=O)NCCF 1626a_100000724931_100000701222 [0,1,0,0,0,1|1,0,0]=3 5394 B11R0.70 CCC(C)CCC(=O)NCCF 240690a_100000724931_100000701222 [0,1,0,0,0,1|1,0,0]=3 5395 B11R0.70 CCC(C)CCC(=O)NCCF 527a_100000724931_100000701222 [0,1,0,0,0,1|1,0,0]=3 5396 B11R0.70 CCC(C)CCC(=O)NCCO 240690a_100000210304_100000701222 [0,1,0,0,0,1|1,0,0]=3 5397 B11R0.70 CCC(C)CCC(=O)NCCO 527a_100000210304_100000701222 [0,1,0,0,0,1|1,0,0]=3 5398 B11R0.70 CCC(C)CCC(C)OCCF 7a_200011216552_100011217306 [0,1,0,0,0,1|1,0,1]=4 5399 B11R0.70 CCC(C)CCC(C)OCCO 7a_200011216552_100000211926 [0,1,0,0,0,1|1,0,1]=4 5400 B11R0.70 CCC(C)CNC(=O)C=COC 1626a_100020588543_100016268678 [0,1,0,0,0,1|1,0,1]=4 5401 B11R0.70 CCC(C)CNC(=O)C=COC 240690a_100020588543_100016268678 [0,1,0,0,0,1|1,0,1]=4 5402 B11R0.70 CCC(C)CNC(=O)CCC#N 11a_100020588543_100011934036 [0,1,0,0,0,1|1,0,1]=4 5403 B11R0.70 CCC(C)CNC(=O)CCC#N 1626a_100020588543_100011934036 [0,1,0,0,0,1|1,0,1]=4 5404 B11R0.70 CCC(C)CNC(=O)CCC#N 240690a_100020588543_100011934036 [0,1,0,0,0,1|1,0,1]=4 5405 B11R0.70 CCC(C)CNC(=O)CCC#N 527a_100020588543_100011934036 [0,1,0,0,0,1|1,0,1]=4 5406 B11R0.70 CCC(C)CNC(=O)CCOC 11a_100020588543_100000749529 [0,1,0,0,0,1|1,0,0]=3 5407 B11R0.70 CCC(C)CNC(=O)CCOC 1626a_100020588543_100000749529 [0,1,0,0,0,1|1,0,0]=3 5408 B11R0.70 CCC(C)CNC(=O)CCOC 240690a_100020588543_100000749529 [0,1,0,0,0,1|1,0,0]=3 5409 B11R0.70 CCC(C)CNC(=O)CCOC 527a_100020588543_100000749529 [0,1,0,0,0,1|1,0,0]=3 5410 B11R0.70 CCC(C)CNC(=O)CCSC 11a_100020588543_100000174002 [0,1,0,0,0,1|1,0,0]=3 5411 B11R0.70 CCC(C)CNC(=O)CCSC 1626a_100020588543_100000174002 [0,1,0,0,0,1|1,0,0]=3 5412 B11R0.70 CCC(C)CNC(=O)CCSC 240690a_100020588543_100000174002 [0,1,0,0,0,1|1,0,0]=3 5413 B11R0.70 CCC(C)CNC(=O)CCSC 527a_100020588543_100000174002 [0,1,0,0,0,1|1,0,0]=3 5414 B11R0.70 CCC(C)CNC(=O)NCC#N 2708a_100000734998_100020588543 [0,1,0,0,0,1|1,0,1]=4 5415 B11R0.70 CCC(C)CNC(=O)NCC#N 273464a_100000734998_100020588543 [0,1,0,0,0,1|1,0,1]=4 5416 B11R0.70 CCC(C)CNC(=O)NCC#N 273464a_100020588543_100000734998 [0,1,0,0,0,1|1,0,1]=4 5417 B11R0.70 CCC(C)CNC(=O)NCC#N 512a_100000734998_100020588543 [0,1,0,0,0,1|1,0,1]=4 5418 B11R0.70 CCC(C)CNC(=O)NCC#N 512a_100020588543_100000734998 [0,1,0,0,0,1|1,0,1]=4 5419 B11R0.70 CCC(C)CNC(=O)NCCF 2708a_100020588543_100000724931 [0,1,0,0,0,1|1,0,0]=3 5420 B11R0.70 CCC(C)CNC(=O)NCCF 273464a_100000724931_100020588543 [0,1,0,0,0,1|1,0,0]=3 5421 B11R0.70 CCC(C)CNC(=O)NCCF 273464a_100020588543_100000724931 [0,1,0,0,0,1|1,0,0]=3 5422 B11R0.70 CCC(C)CNC(=O)NCCF 512a_100020588543_100000724931 [0,1,0,0,0,1|1,0,0]=3 5423 B11R0.70 CCC(C)CNC(=O)NCCO 2708a_100020588543_100000210304 [0,1,0,0,0,1|1,0,0]=3 5424 B11R0.70 CCC(C)CNC(=O)NCCO 273464a_100000210304_100020588543 [0,1,0,0,0,1|1,0,0]=3 5425 B11R0.70 CCC(C)CNC(=O)NCCO 273464a_100020588543_100000210304 [0,1,0,0,0,1|1,0,0]=3 5426 B11R0.70 CCC(C)CNC(=O)NCCO 512a_100020588543_100000210304 [0,1,0,0,0,1|1,0,0]=3 5427 B11R0.70 CCC(C)NCC(=O)NCC#N 2230a_100000209981_100000736037 [0,1,0,0,0,1|1,0,1]=4 5428 B11R0.70 CCC(C)NCC(=O)NCCF 2230a_100000725713_100000758301 [0,1,0,0,0,1|1,0,0]=3 5429 B11R0.70 CCC(C)NNC(=O)CCOC 22a_100000718999_100000749529 [0,1,0,0,0,1|2,0,0]=4 5430 B11R0.70 CCC(C)NNC(=O)CCSC 22a_100000718999_100000174002 [0,1,0,0,0,1|2,0,0]=4 5431 B11R0.70 CCC(C)NNC(=O)NCCF 273464a_100000724931_100000718999 [0,1,0,0,0,1|2,0,0]=4 5432 B11R0.70 CCC(C)NNC(=O)NCCF 512a_100000718999_100000724931 [0,1,0,0,0,1|2,0,0]=4 5433 B11R0.70 CCC(C)NNC(=O)NCCO 273464a_100000210304_100000718999 [0,1,0,0,0,1|2,0,0]=4 5434 B11R0.70 CCC(C)NNC(=O)NCCO 512a_100000718999_100000210304 [0,1,0,0,0,1|2,0,0]=4 5435 B11R0.70 CCC(C)OCC(=O)NCC#N 7a_100000210228_100000736037 [0,1,0,0,0,1|1,0,1]=4 5436 B11R0.70 CCC(C)OC[C@@H](C)OCOC 34a_100016172286_100011215416 [0,1,0,0,0,1|1,0,1]=4 5437 B11R0.70 CCC(C)OC[C@@H](C)OCOC 7a_100016172286_100000758301 [0,1,0,0,0,1|1,0,1]=4 5438 B11R0.70 CCC(C)SCC(=O)NCC#N 62a_100000736037_100000758301 [0,1,0,0,0,1|1,0,1]=4 5439 B11R0.70 CCC(C)SCC(=O)NCC#N 62a_100000758301_100000736037 [0,1,0,0,0,1|1,0,1]=4 5440 B11R0.70 CCC(O)CCC(=O)NCCF 1626a_100000724931_203496584001 [0,1,0,0,0,1|2,0,0]=4 5441 B11R0.70 CCC(O)CCC(=O)NCCF 240690a_100000724931_203496584001 [0,1,0,0,0,1|2,0,0]=4 5442 B11R0.70 CCC(O)CCC(=O)NCCO 240690a_100000210304_203496584001 [0,1,0,0,0,1|2,0,0]=4 5443 B11R0.70 CCC(O)CNC(=O)CCOC 11a_100011218483_100000749529 [0,1,0,0,0,1|2,0,0]=4 5444 B11R0.70 CCC(O)CNC(=O)CCOC 240690a_100011218483_100000749529 [0,1,0,0,0,1|2,0,0]=4 5445 B11R0.70 CCC(O)CNC(=O)CCOC 527a_100011218483_100000749529 [0,1,0,0,0,1|2,0,0]=4 5446 B11R0.70 CCC(O)CNC(=O)CCSC 11a_100011218483_100000174002 [0,1,0,0,0,1|2,0,0]=4 5447 B11R0.70 CCC(O)CNC(=O)CCSC 240690a_100011218483_100000174002 [0,1,0,0,0,1|2,0,0]=4 5448 B11R0.70 CCC(O)CNC(=O)CCSC 527a_100011218483_100000174002 [0,1,0,0,0,1|2,0,0]=4 5449 B11R0.70 CCC(O)CNC(=O)NCCF 273464a_100000724931_100011218483 [0,1,0,0,0,1|2,0,0]=4 5450 B11R0.70 CCC(O)CNC(=O)NCCF 273464a_100011218483_100000724931 [0,1,0,0,0,1|2,0,0]=4 5451 B11R0.70 CCC(O)CNC(=O)NCCF 512a_100011218483_100000724931 [0,1,0,0,0,1|2,0,0]=4 5452 B11R0.70 CCC(O)CNC(=O)NCCO 273464a_100000210304_100011218483 [0,1,0,0,0,1|2,0,0]=4 5453 B11R0.70 CCC(O)CNC(=O)NCCO 273464a_100011218483_100000210304 [0,1,0,0,0,1|2,0,0]=4 5454 B11R0.70 CCC(O)CNC(=O)NCCO 512a_100011218483_100000210304 [0,1,0,0,0,1|2,0,0]=4 5455 B11R0.70 CCC=CC(=O)NCC(C)CC 11a_100020588543_100000212282 [0,1,0,0,0,1|1,0,0]=3 5456 B11R0.70 CCC=CC(=O)NCC(C)CC 1626a_100020588543_100000212282 [0,1,0,0,0,1|1,0,0]=3 5457 B11R0.70 CCC=CC(=O)NCC(C)CC 240690a_100020588543_100000212282 [0,1,0,0,0,1|1,0,0]=3 5458 B11R0.70 CCC=CC(=O)NCC(C)CO 240690a_100000744482_100000212282 [0,1,0,0,0,1|2,0,0]=4 5459 B11R0.70 CCC=CC(=O)NCC(O)CC 11a_100011218483_100000212282 [0,1,0,0,0,1|2,0,0]=4 5460 B11R0.70 CCC=CC(=O)NCC(O)CC 240690a_100011218483_100000212282 [0,1,0,0,0,1|2,0,0]=4 5461 B11R0.70 CCC=CC(=O)NC[C@@H](C)OC 11a_100020591295_100000212282 [0,1,0,0,0,1|2,0,0]=4 5462 B11R0.70 CCC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000212282 [0,1,0,0,0,1|2,0,0]=4 5463 B11R0.70 CCC=CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000212282 [0,1,0,0,0,1|2,0,0]=4 5464 B11R0.70 CCC=CC(=O)NNC(C)CC 22a_100000718999_100000212282 [0,1,0,0,0,1|2,0,0]=4 5465 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,1,0,0,0,1|1,0,0]=3 5466 B11R0.70 CCCCC(=O)CCN(C)CC 1458a_100000755305_100000210211 [0,1,0,0,0,1|2,0,0]=4 5467 B11R0.70 CCCCC(=O)NCC(C)CC 11a_100020588543_100000210183 [0,1,0,0,0,1|1,0,0]=3 5468 B11R0.70 CCCCC(=O)NCC(C)CC 1626a_100020588543_100000210183 [0,1,0,0,0,1|1,0,0]=3 5469 B11R0.70 CCCCC(=O)NCC(C)CC 240690a_100020588543_100000210183 [0,1,0,0,0,1|1,0,0]=3 5470 B11R0.70 CCCCC(=O)NCC(C)CC 527a_100020588543_100000210183 [0,1,0,0,0,1|1,0,0]=3 5471 B11R0.70 CCCCC(=O)NCC(C)CO 240690a_100000744482_100000210183 [0,1,0,0,0,1|2,0,0]=4 5472 B11R0.70 CCCCC(=O)NCC(C)CO 527a_100000744482_100000210183 [0,1,0,0,0,1|2,0,0]=4 5473 B11R0.70 CCCCC(=O)NCC(O)CC 11a_100011218483_100000210183 [0,1,0,0,0,1|2,0,0]=4 5474 B11R0.70 CCCCC(=O)NCC(O)CC 240690a_100011218483_100000210183 [0,1,0,0,0,1|2,0,0]=4 5475 B11R0.70 CCCCC(=O)NCC(O)CC 527a_100011218483_100000210183 [0,1,0,0,0,1|2,0,0]=4 5476 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210183 [0,1,0,0,0,1|2,0,0]=4 5477 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210183 [0,1,0,0,0,1|2,0,0]=4 5478 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210183 [0,1,0,0,0,1|2,0,0]=4 5479 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210183 [0,1,0,0,0,1|2,0,0]=4 5480 B11R0.70 CCCCC(=O)NNC(C)CC 22a_100000718999_100000210183 [0,1,0,0,0,1|2,0,0]=4 5481 B11R0.70 CCCNC(=O)CCC(C)CC 11a_100020643023_100000701222 [0,1,0,0,0,1|1,0,0]=3 5482 B11R0.70 CCCNC(=O)CCC(C)CC 1626a_100020643023_100000701222 [0,1,0,0,0,1|1,0,0]=3 5483 B11R0.70 CCCNC(=O)CCC(C)CC 240690a_100020643023_100000701222 [0,1,0,0,0,1|1,0,0]=3 5484 B11R0.70 CCCNC(=O)CCC(C)CC 527a_100020643023_100000701222 [0,1,0,0,0,1|1,0,0]=3 5485 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [0,1,0,0,0,1|2,0,0]=4 5486 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [0,1,0,0,0,1|2,0,0]=4 5487 B11R0.70 CCCNC(=O)CCN(C)CC 240690a_100020643023_100000755305 [0,1,0,0,0,1|2,0,0]=4 5488 B11R0.70 CCCNC(=O)CNC(C)CC 2230a_100000174927_100000758301 [0,1,0,0,0,1|1,0,0]=3 5489 B11R0.70 CCCNC(=O)CNC(C)CC 2230a_100000209981_100000183358 [0,1,0,0,0,1|1,0,0]=3 5490 B11R0.70 CCCNC(=O)CNC(C)CO 2230a_100000174927_100012180447 [0,1,0,0,0,1|2,0,0]=4 5491 B11R0.70 CCCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183358 [0,1,0,0,0,1|2,0,0]=4 5492 B11R0.70 CCCNC(=O)COC(C)CC 7a_100000210228_100000183358 [0,1,0,0,0,1|1,0,0]=3 5493 B11R0.70 CCCNC(=O)COC(C)CF 34a_100016041109_100000183358 [0,1,0,0,0,1|2,0,0]=4 5494 B11R0.70 CCCNC(=O)COC(C)CF 7a_100016041109_100000183358 [0,1,0,0,0,1|2,0,0]=4 5495 B11R0.70 CCCNC(=O)COC(C)CN 34a_100000210904_100000183358 [0,1,0,0,0,1|2,0,0]=4 5496 B11R0.70 CCCNC(=O)CSC(C)CC 62a_100000183358_100000758301 [0,1,0,0,0,1|1,0,0]=3 5497 B11R0.70 CCCNC(=O)CSC(C)CC 62a_100000758301_100000183358 [0,1,0,0,0,1|1,0,0]=3 5498 B11R0.70 CCCNC(=O)CSC(C)CO 62a_100012180447_100000183358 [0,1,0,0,0,1|2,0,0]=4 5499 B11R0.70 CCCNC(=O)CSC(C)OC 62a_100000183358_100009879195 [0,1,0,0,0,1|2,0,0]=4 5500 B11R0.70 CCCNC(=O)CSC(C)OC 62a_100009879195_100000183358 [0,1,0,0,0,1|2,0,0]=4 5501 B11R0.70 CCCNC(=O)CS[C@H](C)CO 62a_100000183358_100016084084 [0,1,0,0,0,1|2,0,0]=4 5502 B11R0.70 CCCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183358 [0,1,0,0,0,1|2,0,0]=4 5503 B11R0.70 CCCNC(=O)NCC(C)CC 2708a_100020588543_100020643023 [0,1,0,0,0,1|1,0,0]=3 5504 B11R0.70 CCCNC(=O)NCC(C)CC 2708a_100020643023_100020588543 [0,1,0,0,0,1|1,0,0]=3 5505 B11R0.70 CCCNC(=O)NCC(C)CC 273464a_100020588543_100020643023 [0,1,0,0,0,1|1,0,0]=3 5506 B11R0.70 CCCNC(=O)NCC(C)CC 273464a_100020643023_100020588543 [0,1,0,0,0,1|1,0,0]=3 5507 B11R0.70 CCCNC(=O)NCC(C)CC 512a_100020588543_100020643023 [0,1,0,0,0,1|1,0,0]=3 5508 B11R0.70 CCCNC(=O)NCC(C)CC 512a_100020643023_100020588543 [0,1,0,0,0,1|1,0,0]=3 5509 B11R0.70 CCCNC(=O)NCC(C)CO 2708a_100020643023_100000744482 [0,1,0,0,0,1|2,0,0]=4 5510 B11R0.70 CCCNC(=O)NCC(C)CO 273464a_100000744482_100020643023 [0,1,0,0,0,1|2,0,0]=4 5511 B11R0.70 CCCNC(=O)NCC(C)CO 273464a_100020643023_100000744482 [0,1,0,0,0,1|2,0,0]=4 5512 B11R0.70 CCCNC(=O)NCC(C)CO 512a_100000744482_100020643023 [0,1,0,0,0,1|2,0,0]=4 5513 B11R0.70 CCCNC(=O)NCC(C)CO 512a_100020643023_100000744482 [0,1,0,0,0,1|2,0,0]=4 5514 B11R0.70 CCCNC(=O)NCC(O)CC 2708a_100020643023_100011218483 [0,1,0,0,0,1|2,0,0]=4 5515 B11R0.70 CCCNC(=O)NCC(O)CC 273464a_100011218483_100020643023 [0,1,0,0,0,1|2,0,0]=4 5516 B11R0.70 CCCNC(=O)NCC(O)CC 273464a_100020643023_100011218483 [0,1,0,0,0,1|2,0,0]=4 5517 B11R0.70 CCCNC(=O)NCC(O)CC 512a_100011218483_100020643023 [0,1,0,0,0,1|2,0,0]=4 5518 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100020643023 [0,1,0,0,0,1|2,0,0]=4 5519 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 2708a_100020643023_100020591295 [0,1,0,0,0,1|2,0,0]=4 5520 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100020643023 [0,1,0,0,0,1|2,0,0]=4 5521 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 273464a_100020643023_100020591295 [0,1,0,0,0,1|2,0,0]=4 5522 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 512a_100020591295_100020643023 [0,1,0,0,0,1|2,0,0]=4 5523 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 512a_100020643023_100020591295 [0,1,0,0,0,1|2,0,0]=4 5524 B11R0.70 CCCNC(=O)NNC(C)CC 273464a_100020643023_100000718999 [0,1,0,0,0,1|2,0,0]=4 5525 B11R0.70 CCCNC(=O)NNC(C)CC 512a_100000718999_100020643023 [0,1,0,0,0,1|2,0,0]=4 5526 B11R0.70 CCCNC(=O)NNC(C)CC 512a_100020643023_100000718999 [0,1,0,0,0,1|2,0,0]=4 5527 B11R0.70 CCCOC(=O)CNC(C)C#N 2230a_100000737613_200011215008 [0,1,0,0,0,1|1,0,1]=4 5528 B11R0.70 CCCOC(=O)CNC(C)CC 2230a_100000209981_200011215008 [0,1,0,0,0,1|0,0,0]=2 5529 B11R0.70 CCCOC(=O)CN[C@H](C)CO 2230a_100000737577_200011215008 [0,1,0,0,0,1|1,0,0]=3 5530 B11R0.70 CCCOC(=O)COC(C)C#N 34a_100011218135_200011215008 [0,1,0,0,0,1|1,0,1]=4 5531 B11R0.70 CCCOC(=O)COC(C)CC 7a_100000210228_200011215008 [0,1,0,0,0,1|0,0,0]=2 5532 B11R0.70 CCCOC(=O)COC(C)CF 34a_100016041109_200011215008 [0,1,0,0,0,1|1,0,0]=3 5533 B11R0.70 CCCOC(=O)COC(C)CF 7a_100016041109_200011215008 [0,1,0,0,0,1|1,0,0]=3 5534 B11R0.70 CCCOC(=O)COC(C)CN 34a_100000210904_200011215008 [0,1,0,0,0,1|1,0,0]=3 5535 B11R0.70 CCCOC(=O)CSC(C)C#N 62a_100000703298_200011215008 [0,1,0,0,0,1|1,0,1]=4 5536 B11R0.70 CCCOC(=O)CSC(C)C#N 62a_200011215008_100000703298 [0,1,0,0,0,1|1,0,1]=4 5537 B11R0.70 CCCOC(=O)CSC(C)CC 62a_100000758301_200011215008 [0,1,0,0,0,1|0,0,0]=2 5538 B11R0.70 CCCOC(=O)CSC(C)CC 62a_200011215008_100000758301 [0,1,0,0,0,1|0,0,0]=2 5539 B11R0.70 CCCOC(=O)CSC(C)CO 62a_100012180447_200011215008 [0,1,0,0,0,1|1,0,0]=3 5540 B11R0.70 CCCOC(=O)CSC(C)OC 62a_100009879195_200011215008 [0,1,0,0,0,1|1,0,0]=3 5541 B11R0.70 CCCOC(=O)CSC(C)OC 62a_200011215008_100009879195 [0,1,0,0,0,1|1,0,0]=3 5542 B11R0.70 CCCOC(=O)CS[C@H](C)CO 62a_100016084084_200011215008 [0,1,0,0,0,1|1,0,0]=3 5543 B11R0.70 CCCOC(=O)CS[C@H](C)CO 62a_200011215008_100016084084 [0,1,0,0,0,1|1,0,0]=3 5544 B11R0.70 CCCOC(=O)OCC(=O)CC 1458a_100000210414_200000139673 [0,1,0,0,0,1|1,0,1]=4 5545 B11R0.70 CCCOC(=O)OCN(C)CC 269982a_100000225621_200000139673 [0,1,0,0,0,1|1,0,0]=3 5546 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,1,0,0,0,1|1,0,1]=4 5547 B11R0.70 CCCOC(C)CNC(C)CC 2230a_100015185124_100000758301 [0,1,0,0,0,1|1,0,1]=4 5548 B11R0.70 CCCOC(C)CNC(C)CC 34a_100015185124_100011215416 [0,1,0,0,0,1|1,0,1]=4 5549 B11R0.70 CCN(C)CCC(=O)CCCF 1458a_100000755305_100011934791 [0,1,0,0,0,1|2,0,0]=4 5550 B11R0.70 CCN(C)CCC(=O)CCCO 1458a_100000755305_100011215043 [0,1,0,0,0,1|2,0,0]=4 5551 B11R0.70 CCN(C)CCC(=O)CCOC 1458a_100000755305_100000233755 [0,1,0,0,0,1|2,0,0]=4 5552 B11R0.70 CCN(C)CCC(=O)CCSC 1458a_100000755305_100000751147 [0,1,0,0,0,1|2,0,0]=4 5553 B11R0.70 CCN(C)CCC(=O)NCCF 240690a_100000724931_100000755305 [0,1,0,0,0,1|2,0,0]=4 5554 B11R0.70 CCN(C)CCC(=O)NCCO 240690a_100000210304_100000755305 [0,1,0,0,0,1|2,0,0]=4 5555 B11R0.70 CCNNC(=O)CCC(C)CC 22a_100000756455_100000701222 [0,1,0,0,0,1|1,0,0]=3 5556 B11R0.70 CCNNC(=O)CCC(O)CC 22a_100000756455_203496584001 [0,1,0,0,0,1|2,0,0]=4 5557 B11R0.70 CCNNC(=O)CCN(C)CC 22a_100000756455_100000755305 [0,1,0,0,0,1|2,0,0]=4 5558 B11R0.70 CCNNC(=O)NCC(C)CC 273464a_100020588543_100000756455 [0,1,0,0,0,1|1,0,0]=3 5559 B11R0.70 CCNNC(=O)NCC(C)CC 512a_100000756455_100020588543 [0,1,0,0,0,1|1,0,0]=3 5560 B11R0.70 CCNNC(=O)NCC(C)CC 512a_100020588543_100000756455 [0,1,0,0,0,1|1,0,0]=3 5561 B11R0.70 CCNNC(=O)NCC(C)CO 273464a_100000744482_100000756455 [0,1,0,0,0,1|2,0,0]=4 5562 B11R0.70 CCNNC(=O)NCC(C)CO 512a_100000744482_100000756455 [0,1,0,0,0,1|2,0,0]=4 5563 B11R0.70 CCNNC(=O)NCC(C)CO 512a_100000756455_100000744482 [0,1,0,0,0,1|2,0,0]=4 5564 B11R0.70 CCNNC(=O)NCC(O)CC 273464a_100011218483_100000756455 [0,1,0,0,0,1|2,0,0]=4 5565 B11R0.70 CCNNC(=O)NCC(O)CC 512a_100011218483_100000756455 [0,1,0,0,0,1|2,0,0]=4 5566 B11R0.70 CCNNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000756455 [0,1,0,0,0,1|2,0,0]=4 5567 B11R0.70 CCNNC(=O)NC[C@@H](C)OC 512a_100000756455_100020591295 [0,1,0,0,0,1|2,0,0]=4 5568 B11R0.70 CCNNC(=O)NC[C@@H](C)OC 512a_100020591295_100000756455 [0,1,0,0,0,1|2,0,0]=4 5569 B11R0.70 CCNNC(=O)NNC(C)CC 512a_100000718999_100000756455 [0,1,0,0,0,1|2,0,0]=4 5570 B11R0.70 CCNNC(=O)NNC(C)CC 512a_100000756455_100000718999 [0,1,0,0,0,1|2,0,0]=4 5571 B11R0.70 CCOCC(=O)NCC(C)CC 11a_100020588543_100000211967 [0,1,0,0,0,1|0,0,0]=2 5572 B11R0.70 CCOCC(=O)NCC(C)CC 1626a_100020588543_100000211967 [0,1,0,0,0,1|0,0,0]=2 5573 B11R0.70 CCOCC(=O)NCC(C)CC 240690a_100020588543_100000211967 [0,1,0,0,0,1|0,0,0]=2 5574 B11R0.70 CCOCC(=O)NCC(C)CC 527a_100020588543_100000211967 [0,1,0,0,0,1|0,0,0]=2 5575 B11R0.70 CCOCC(=O)NCC(C)CO 240690a_100000744482_100000211967 [0,1,0,0,0,1|1,0,0]=3 5576 B11R0.70 CCOCC(=O)NCC(C)CO 527a_100000744482_100000211967 [0,1,0,0,0,1|1,0,0]=3 5577 B11R0.70 CCOCC(=O)NCC(O)CC 11a_100011218483_100000211967 [0,1,0,0,0,1|1,0,0]=3 5578 B11R0.70 CCOCC(=O)NCC(O)CC 240690a_100011218483_100000211967 [0,1,0,0,0,1|1,0,0]=3 5579 B11R0.70 CCOCC(=O)NCC(O)CC 527a_100011218483_100000211967 [0,1,0,0,0,1|1,0,0]=3 5580 B11R0.70 CCOCC(=O)NCC(O)CO 34a_100121572206_200012027429 [0,1,0,0,0,1|2,0,0]=4 5581 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211967 [0,1,0,0,0,1|1,0,0]=3 5582 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211967 [0,1,0,0,0,1|1,0,0]=3 5583 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211967 [0,1,0,0,0,1|1,0,0]=3 5584 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211967 [0,1,0,0,0,1|1,0,0]=3 5585 B11R0.70 CCOCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211967 [0,1,0,0,0,1|2,0,0]=4 5586 B11R0.70 CCOCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211967 [0,1,0,0,0,1|2,0,0]=4 5587 B11R0.70 CCOCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211967 [0,1,0,0,0,1|2,0,0]=4 5588 B11R0.70 CCOCC(=O)NC[C@H](O)CO 527a_100020644852_100000211967 [0,1,0,0,0,1|2,0,0]=4 5589 B11R0.70 CCOCC(=O)NNC(C)CC 22a_100000718999_100000211967 [0,1,0,0,0,1|1,0,0]=3 5590 B11R0.70 CCOCC(C)OCC(C)CC 34a_100000718985_100000748023 [0,1,0,0,0,1|1,0,1]=4 5591 B11R0.70 CCOCC(C)OCC(C)CC 7a_100000718985_100000748023 [0,1,0,0,0,1|1,0,1]=4 5592 B11R0.70 CCOCC(C)OC[C@@H](C)CC 34a_100000718985_100009816398 [0,1,0,0,0,1|1,0,1]=4 5593 B11R0.70 CCOCC(C)OC[C@@H](C)CC 7a_100000718985_100009816398 [0,1,0,0,0,1|1,0,1]=4 5594 B11R0.70 CCOCC(O)CNC(C)CC 2230a_102515437182_100000758301 [0,1,0,0,0,1|0,0,2]=4 5595 B11R0.70 CCOCC(O)CNC(C)CC 34a_102515437182_100011215416 [0,1,0,0,0,1|0,0,2]=4 5596 B11R0.70 CCSCC(=O)NCC(C)CC 11a_100020588543_100000230394 [0,1,0,0,0,1|0,1,0]=3 5597 B11R0.70 CCSCC(=O)NCC(C)CC 1626a_100020588543_100000230394 [0,1,0,0,0,1|0,1,0]=3 5598 B11R0.70 CCSCC(=O)NCC(C)CC 240690a_100020588543_100000230394 [0,1,0,0,0,1|0,1,0]=3 5599 B11R0.70 CCSCC(=O)NCC(C)CC 527a_100020588543_100000230394 [0,1,0,0,0,1|0,1,0]=3 5600 B11R0.70 CCSCC(=O)NCC(C)CO 240690a_100000744482_100000230394 [0,1,0,0,0,1|1,1,0]=4 5601 B11R0.70 CCSCC(=O)NCC(C)CO 527a_100000744482_100000230394 [0,1,0,0,0,1|1,1,0]=4 5602 B11R0.70 CCSCC(=O)NCC(O)CC 11a_100011218483_100000230394 [0,1,0,0,0,1|1,1,0]=4 5603 B11R0.70 CCSCC(=O)NCC(O)CC 240690a_100011218483_100000230394 [0,1,0,0,0,1|1,1,0]=4 5604 B11R0.70 CCSCC(=O)NCC(O)CC 527a_100011218483_100000230394 [0,1,0,0,0,1|1,1,0]=4 5605 B11R0.70 CCSCC(=O)NC[C@@H](C)OC 11a_100020591295_100000230394 [0,1,0,0,0,1|1,1,0]=4 5606 B11R0.70 CCSCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000230394 [0,1,0,0,0,1|1,1,0]=4 5607 B11R0.70 CCSCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000230394 [0,1,0,0,0,1|1,1,0]=4 5608 B11R0.70 CCSCC(=O)NC[C@@H](C)OC 527a_100020591295_100000230394 [0,1,0,0,0,1|1,1,0]=4 5609 B11R0.70 CCSCC(=O)NNC(C)CC 22a_100000718999_100000230394 [0,1,0,0,0,1|1,1,0]=4 5610 B11R0.70 COCCC(=O)NCC(C)CO 240690a_100000744482_100000749529 [0,1,0,0,0,1|2,0,0]=4 5611 B11R0.70 COCCC(=O)NCC(C)CO 527a_100000744482_100000749529 [0,1,0,0,0,1|2,0,0]=4 5612 B11R0.70 COCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000749529 [0,1,0,0,0,1|2,0,0]=4 5613 B11R0.70 COCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000749529 [0,1,0,0,0,1|2,0,0]=4 5614 B11R0.70 COCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000749529 [0,1,0,0,0,1|2,0,0]=4 5615 B11R0.70 COCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000749529 [0,1,0,0,0,1|2,0,0]=4 5616 B11R0.70 CO[C@H](C)CNC(=O)CCSC 11a_100020591295_100000174002 [0,1,0,0,0,1|2,0,0]=4 5617 B11R0.70 CO[C@H](C)CNC(=O)CCSC 1626a_100020591295_100000174002 [0,1,0,0,0,1|2,0,0]=4 5618 B11R0.70 CO[C@H](C)CNC(=O)CCSC 240690a_100020591295_100000174002 [0,1,0,0,0,1|2,0,0]=4 5619 B11R0.70 CO[C@H](C)CNC(=O)CCSC 527a_100020591295_100000174002 [0,1,0,0,0,1|2,0,0]=4 5620 B11R0.70 CO[C@H](C)CNC(=O)NCCF 2708a_100020591295_100000724931 [0,1,0,0,0,1|2,0,0]=4 5621 B11R0.70 CO[C@H](C)CNC(=O)NCCF 273464a_100000724931_100020591295 [0,1,0,0,0,1|2,0,0]=4 5622 B11R0.70 CO[C@H](C)CNC(=O)NCCF 273464a_100020591295_100000724931 [0,1,0,0,0,1|2,0,0]=4 5623 B11R0.70 CO[C@H](C)CNC(=O)NCCF 512a_100020591295_100000724931 [0,1,0,0,0,1|2,0,0]=4 5624 B11R0.70 CO[C@H](C)CNC(=O)NCCO 2708a_100020591295_100000210304 [0,1,0,0,0,1|2,0,0]=4 5625 B11R0.70 CO[C@H](C)CNC(=O)NCCO 273464a_100000210304_100020591295 [0,1,0,0,0,1|2,0,0]=4 5626 B11R0.70 CO[C@H](C)CNC(=O)NCCO 273464a_100020591295_100000210304 [0,1,0,0,0,1|2,0,0]=4 5627 B11R0.70 CO[C@H](C)CNC(=O)NCCO 512a_100020591295_100000210304 [0,1,0,0,0,1|2,0,0]=4 5628 B11R0.70 CSCCC(=O)NCC(C)CO 240690a_100000744482_100000174002 [0,1,0,0,0,1|2,0,0]=4 5629 B11R0.70 CSCCC(=O)NCC(C)CO 527a_100000744482_100000174002 [0,1,0,0,0,1|2,0,0]=4 5630 B11R0.100 CCCS(=O)(=O)NCC(C)CC 270084a_100020588543_100000211391 [0,1,0,0,0,1|2,0,0]=4 5631 B11R0.100 CCCS(=O)(=O)NCC(C)CC 274078a_100020588543_100000211391 [0,1,0,0,0,1|2,0,0]=4 5632 B11R0.100 CCCS(=O)(=O)NCC(C)CC 40a_100020588543_100000054278 [0,1,0,0,0,1|2,0,0]=4 5633 B11R0.100 CCO[Si](C)(C)CSC(C)CC 62a_100000758301_200000065227 [0,1,0,0,0,1|1,1,0]=4 5634 B11R0.100 CCO[Si](C)(C)CSC(C)CC 62a_200000065227_100000758301 [0,1,0,0,0,1|1,1,0]=4 5635 B11R0.107 C#CC(C)NCC(=O)OC(C)C 2230a_100000707721_100011215430 [0,1,0,0,0,1|0,0,2]=4 5636 B11R0.107 C#CC(C)NCC(=O)OC(C)C 34a_100000707721_100011215430 [0,1,0,0,0,1|0,0,2]=4 5637 B11R0.107 C#CC(C)SCC(=O)OC(C)C 62a_200000035995_100011215430 [0,1,0,0,0,1|0,0,2]=4 5638 B11R0.107 C#C[C@@H](C)OCC(=O)OC(C)C 34a_100009815206_100011215430 [0,1,0,0,0,1|0,0,2]=4 5639 B11R0.107 C#C[C@@H](C)OCC(=O)OC(C)C 7a_100009815206_100011215430 [0,1,0,0,0,1|0,0,2]=4 5640 B11R0.107 C=C(C)CC(=O)CCC(C)CC 1458a_100000701222_100000748629 [0,1,0,0,0,1|1,0,1]=4 5641 B11R0.107 C=CC(C)OCC(=O)OC(C)C 34a_100000695699_100011215430 [0,1,0,0,0,1|0,0,2]=4 5642 B11R0.107 C=CC(C)SCC(=O)OC(C)C 62a_100011215867_100011215430 [0,1,0,0,0,1|0,0,2]=4 5643 B11R0.107 CC(C#N)NCC(=O)OC(C)C 2230a_100000737613_100011215430 [0,1,0,0,0,1|1,0,1]=4 5644 B11R0.107 CC(C)CC(=O)NCC(C)CO 240690a_100000744482_100000210554 [0,1,0,0,0,1|2,0,0]=4 5645 B11R0.107 CC(C)CC(=O)NCC(C)CO 527a_100000744482_100000210554 [0,1,0,0,0,1|2,0,0]=4 5646 B11R0.107 CC(C)NC(=O)CNC(C)CO 2230a_100000168517_100012180447 [0,1,0,0,0,1|2,0,0]=4 5647 B11R0.107 CC(C)NC(=O)CN[C@H](C)CO 2230a_100000737577_100000183996 [0,1,0,0,0,1|2,0,0]=4 5648 B11R0.107 CC(C)NC(=O)COC(C)CF 34a_100016041109_100000183996 [0,1,0,0,0,1|2,0,0]=4 5649 B11R0.107 CC(C)NC(=O)COC(C)CF 7a_100016041109_100000183996 [0,1,0,0,0,1|2,0,0]=4 5650 B11R0.107 CC(C)NC(=O)COC(C)CN 34a_100000210904_100000183996 [0,1,0,0,0,1|2,0,0]=4 5651 B11R0.107 CC(C)NC(=O)CSC(C)CO 62a_100012180447_100000183996 [0,1,0,0,0,1|2,0,0]=4 5652 B11R0.107 CC(C)NC(=O)CS[C@H](C)CO 62a_100000183996_100016084084 [0,1,0,0,0,1|2,0,0]=4 5653 B11R0.107 CC(C)NC(=O)CS[C@H](C)CO 62a_100016084084_100000183996 [0,1,0,0,0,1|2,0,0]=4 5654 B11R0.107 CC(C)OC(=O)CN[C@H](C)CO 2230a_100000737577_100011215430 [0,1,0,0,0,1|1,0,0]=3 5655 B11R0.107 CC(C)OC(=O)COC(C)C#N 34a_100011218135_100011215430 [0,1,0,0,0,1|1,0,1]=4 5656 B11R0.107 CC(C)OC(=O)COC(C)CF 34a_100016041109_100011215430 [0,1,0,0,0,1|1,0,0]=3 5657 B11R0.107 CC(C)OC(=O)COC(C)CF 7a_100016041109_100011215430 [0,1,0,0,0,1|1,0,0]=3 5658 B11R0.107 CC(C)OC(=O)COC(C)CN 34a_100000210904_100011215430 [0,1,0,0,0,1|1,0,0]=3 5659 B11R0.107 CC(C)OC(=O)CSC(C)C#N 62a_100000703298_100011215430 [0,1,0,0,0,1|1,0,1]=4 5660 B11R0.107 CC(C)OC(=O)CSC(C)C#N 62a_100011215430_100000703298 [0,1,0,0,0,1|1,0,1]=4 5661 B11R0.107 CC(C)OC(=O)CSC(C)CO 62a_100012180447_100011215430 [0,1,0,0,0,1|1,0,0]=3 5662 B11R0.107 CC(C)OC(=O)CS[C@H](C)CO 62a_100011215430_100016084084 [0,1,0,0,0,1|1,0,0]=3 5663 B11R0.107 CC(C)OC(=O)CS[C@H](C)CO 62a_100016084084_100011215430 [0,1,0,0,0,1|1,0,0]=3 5664 B11R0.107 CC(CO)CNC(=O)C[C@@H](C)O 240690a_100000744482_100011933948 [0,1,0,0,0,1|2,0,0]=4 5665 B11R0.107 CC(CO)CNC(=O)NC(C)C 2708a_100138425928_100000744482 [0,1,0,0,0,1|2,0,0]=4 5666 B11R0.107 CC(CO)CNC(=O)NC(C)C 273464a_100138425928_100000744482 [0,1,0,0,0,1|2,0,0]=4 5667 B11R0.107 CC(CO)CNC(=O)NC(C)C 512a_100000744482_100138425928 [0,1,0,0,0,1|2,0,0]=4 5668 B11R0.107 CC(CO)CNC(=O)NC(C)C 512a_100138425928_100000744482 [0,1,0,0,0,1|2,0,0]=4 5669 B11R0.107 CCC(=O)CCC(=O)OC(C)C 1458a_100000210414_100000760027 [0,1,0,0,0,1|1,0,1]=4 5670 B11R0.107 CCC(=O)COC(=O)OC(C)C 1458a_100000210414_100000003507 [0,1,0,0,0,1|1,0,1]=4 5671 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,1,0,0,0,1|1,0,0]=3 5672 B11R0.107 CCC(C)CCC(=O)CC(C)O 1458a_100000701222_100011218427 [0,1,0,0,0,1|1,0,0]=3 5673 B11R0.107 CCC(C)CCC(=O)CC(F)F 1458a_100000701222_100011934356 [0,1,0,0,0,1|2,0,0]=4 5674 B11R0.107 CCC(C)CCC(=O)NC(C)C 11a_100138425928_100000701222 [0,1,0,0,0,1|1,0,0]=3 5675 B11R0.107 CCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000701222 [0,1,0,0,0,1|1,0,0]=3 5676 B11R0.107 CCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000701222 [0,1,0,0,0,1|1,0,0]=3 5677 B11R0.107 CCC(C)CCC(=O)NC(C)C 527a_100138425928_100000701222 [0,1,0,0,0,1|1,0,0]=3 5678 B11R0.107 CCC(C)CCC(C)OC(C)C 7a_200011216552_100000210206 [0,1,0,0,0,1|1,0,1]=4 5679 B11R0.107 CCC(C)CNC(=O)C=C(C)C 11a_100020588543_100000211388 [0,1,0,0,0,1|1,0,1]=4 5680 B11R0.107 CCC(C)CNC(=O)C=C(C)C 1626a_100020588543_100000211388 [0,1,0,0,0,1|1,0,1]=4 5681 B11R0.107 CCC(C)CNC(=O)C=C(C)C 240690a_100020588543_100000211388 [0,1,0,0,0,1|1,0,1]=4 5682 B11R0.107 CCC(C)CNC(=O)C=C(C)Cl 11a_100020588543_200042562850 [0,1,0,0,0,1|1,0,1]=4 5683 B11R0.107 CCC(C)CNC(=O)C=C(C)Cl 1626a_100020588543_200042562850 [0,1,0,0,0,1|1,0,1]=4 5684 B11R0.107 CCC(C)CNC(=O)C=C(C)Cl 240690a_100020588543_200042562850 [0,1,0,0,0,1|1,0,1]=4 5685 B11R0.107 CCC(C)CNC(=O)C=C(C)I 11a_100020588543_100025716642 [0,1,0,0,0,1|1,0,1]=4 5686 B11R0.107 CCC(C)CNC(=O)C=C(C)I 1626a_100020588543_100025716642 [0,1,0,0,0,1|1,0,1]=4 5687 B11R0.107 CCC(C)CNC(=O)CC(C)C 11a_100020588543_100000210554 [0,1,0,0,0,1|1,0,0]=3 5688 B11R0.107 CCC(C)CNC(=O)CC(C)C 1626a_100020588543_100000210554 [0,1,0,0,0,1|1,0,0]=3 5689 B11R0.107 CCC(C)CNC(=O)CC(C)C 240690a_100020588543_100000210554 [0,1,0,0,0,1|1,0,0]=3 5690 B11R0.107 CCC(C)CNC(=O)CC(C)C 527a_100020588543_100000210554 [0,1,0,0,0,1|1,0,0]=3 5691 B11R0.107 CCC(C)CNC(=O)CN(C)C 11a_100020588543_100000750896 [0,1,0,0,0,1|2,0,0]=4 5692 B11R0.107 CCC(C)CNC(=O)CN(C)C 240690a_100020588543_100000750896 [0,1,0,0,0,1|2,0,0]=4 5693 B11R0.107 CCC(C)CNC(=O)CN(C)C 527a_100020588543_100000750896 [0,1,0,0,0,1|2,0,0]=4 5694 B11R0.107 CCC(C)CNC(=O)C[C@@H](C)O 240690a_100020588543_100011933948 [0,1,0,0,0,1|1,0,0]=3 5695 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 11a_100020588543_200159257847 [0,1,0,0,0,1|2,0,0]=4 5696 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 1626a_100020588543_200159257847 [0,1,0,0,0,1|2,0,0]=4 5697 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 240690a_100020588543_200159257847 [0,1,0,0,0,1|2,0,0]=4 5698 B11R0.107 CCC(C)CNC(=O)C[S+](C)C 527a_100020588543_200159257847 [0,1,0,0,0,1|2,0,0]=4 5699 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100020588543_100138425928 [0,1,0,0,0,1|1,0,0]=3 5700 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100138425928_100020588543 [0,1,0,0,0,1|1,0,0]=3 5701 B11R0.107 CCC(C)CNC(=O)NC(C)C 273464a_100138425928_100020588543 [0,1,0,0,0,1|1,0,0]=3 5702 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100020588543_100138425928 [0,1,0,0,0,1|1,0,0]=3 5703 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100138425928_100020588543 [0,1,0,0,0,1|1,0,0]=3 5704 B11R0.107 CCC(C)NCC(=O)NC(C)C 2230a_100000168517_100000758301 [0,1,0,0,0,1|1,0,0]=3 5705 B11R0.107 CCC(C)NCC(=O)NC(C)C 2230a_100000209981_100000183996 [0,1,0,0,0,1|1,0,0]=3 5706 B11R0.107 CCC(C)NCC(=O)OC(C)C 2230a_100000209981_100011215430 [0,1,0,0,0,1|0,0,0]=2 5707 B11R0.107 CCC(C)NNC(=O)CC(C)C 22a_100000718999_100000210554 [0,1,0,0,0,1|2,0,0]=4 5708 B11R0.107 CCC(C)NNC(=O)C[C@@H](C)O 22a_100000718999_100011933948 [0,1,0,0,0,1|2,0,0]=4 5709 B11R0.107 CCC(C)NNC(=O)NC(C)C 273464a_100138425928_100000718999 [0,1,0,0,0,1|2,0,0]=4 5710 B11R0.107 CCC(C)NNC(=O)NC(C)C 512a_100000718999_100138425928 [0,1,0,0,0,1|2,0,0]=4 5711 B11R0.107 CCC(C)NNC(=O)NC(C)C 512a_100138425928_100000718999 [0,1,0,0,0,1|2,0,0]=4 5712 B11R0.107 CCC(C)OCC(=O)NC(=O)C 7a_100000210228_100000183797 [0,1,0,0,0,1|1,0,1]=4 5713 B11R0.107 CCC(C)OCC(=O)NC(C)C 7a_100000210228_100000183996 [0,1,0,0,0,1|1,0,0]=3 5714 B11R0.107 CCC(C)OCC(=O)OC(C)C 7a_100000210228_100011215430 [0,1,0,0,0,1|0,0,0]=2 5715 B11R0.107 CCC(C)SCC(=O)NC(=O)C 62a_100000758301_100000183797 [0,1,0,0,0,1|1,0,1]=4 5716 B11R0.107 CCC(C)SCC(=O)NC(C)C 62a_100000183996_100000758301 [0,1,0,0,0,1|1,0,0]=3 5717 B11R0.107 CCC(C)SCC(=O)NC(C)C 62a_100000758301_100000183996 [0,1,0,0,0,1|1,0,0]=3 5718 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100000758301_100011215430 [0,1,0,0,0,1|0,0,0]=2 5719 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100011215430_100000758301 [0,1,0,0,0,1|0,0,0]=2 5720 B11R0.107 CCC(O)CCC(=O)NC(C)C 1626a_100138425928_203496584001 [0,1,0,0,0,1|2,0,0]=4 5721 B11R0.107 CCC(O)CCC(=O)NC(C)C 240690a_100138425928_203496584001 [0,1,0,0,0,1|2,0,0]=4 5722 B11R0.107 CCC(O)CNC(=O)CC(C)C 11a_100011218483_100000210554 [0,1,0,0,0,1|2,0,0]=4 5723 B11R0.107 CCC(O)CNC(=O)CC(C)C 240690a_100011218483_100000210554 [0,1,0,0,0,1|2,0,0]=4 5724 B11R0.107 CCC(O)CNC(=O)CC(C)C 527a_100011218483_100000210554 [0,1,0,0,0,1|2,0,0]=4 5725 B11R0.107 CCC(O)CNC(=O)C[C@@H](C)O 240690a_100011218483_100011933948 [0,1,0,0,0,1|2,0,0]=4 5726 B11R0.107 CCC(O)CNC(=O)NC(C)C 2708a_100138425928_100011218483 [0,1,0,0,0,1|2,0,0]=4 5727 B11R0.107 CCC(O)CNC(=O)NC(C)C 273464a_100138425928_100011218483 [0,1,0,0,0,1|2,0,0]=4 5728 B11R0.107 CCC(O)CNC(=O)NC(C)C 512a_100011218483_100138425928 [0,1,0,0,0,1|2,0,0]=4 5729 B11R0.107 CCN(C)CCC(=O)CC(C)C 1458a_100000755305_100000210624 [0,1,0,0,0,1|2,0,0]=4 5730 B11R0.107 CCN(C)CCC(=O)CC(C)O 1458a_100000755305_100011218427 [0,1,0,0,0,1|2,0,0]=4 5731 B11R0.107 CCN(C)CCC(=O)NC(C)C 2230a_100000225621_100000737564 [0,1,0,0,0,1|2,0,0]=4 5732 B11R0.107 CCN(C)CCC(=O)NC(C)C 240690a_100138425928_100000755305 [0,1,0,0,0,1|2,0,0]=4 5733 B11R0.107 CCN(C)CCC(=O)NC(C)C 269982a_100000225621_100000737564 [0,1,0,0,0,1|2,0,0]=4 5734 B11R0.107 CCN(C)CCC(=O)OC(C)C 2230a_100000225621_100000760027 [0,1,0,0,0,1|1,0,0]=3 5735 B11R0.107 CCN(C)CCC(=O)OC(C)C 269982a_100000225621_100000760027 [0,1,0,0,0,1|1,0,0]=3 5736 B11R0.107 CCN(C)COC(=O)OC(C)C 269982a_100000225621_100010125566 [0,1,0,0,0,1|1,0,0]=3 5737 B11R0.107 COC(C)SCC(=O)NC(C)C 62a_100000183996_100009879195 [0,1,0,0,0,1|2,0,0]=4 5738 B11R0.107 COC(C)SCC(=O)NC(C)C 62a_100009879195_100000183996 [0,1,0,0,0,1|2,0,0]=4 5739 B11R0.107 COC(C)SCC(=O)OC(C)C 62a_100009879195_100011215430 [0,1,0,0,0,1|1,0,0]=3 5740 B11R0.107 COC(C)SCC(=O)OC(C)C 62a_100011215430_100009879195 [0,1,0,0,0,1|1,0,0]=3 5741 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 11a_100020591295_100000210554 [0,1,0,0,0,1|2,0,0]=4 5742 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 1626a_100020591295_100000210554 [0,1,0,0,0,1|2,0,0]=4 5743 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 240690a_100020591295_100000210554 [0,1,0,0,0,1|2,0,0]=4 5744 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 527a_100020591295_100000210554 [0,1,0,0,0,1|2,0,0]=4 5745 B11R0.107 CO[C@H](C)CNC(=O)C[C@@H](C)O 240690a_100020591295_100011933948 [0,1,0,0,0,1|2,0,0]=4 5746 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 2708a_100020591295_100138425928 [0,1,0,0,0,1|2,0,0]=4 5747 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 2708a_100138425928_100020591295 [0,1,0,0,0,1|2,0,0]=4 5748 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 273464a_100138425928_100020591295 [0,1,0,0,0,1|2,0,0]=4 5749 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 512a_100020591295_100138425928 [0,1,0,0,0,1|2,0,0]=4 5750 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 512a_100138425928_100020591295 [0,1,0,0,0,1|2,0,0]=4 5751 B11R0.120 C/C=C(\C)/C(=O)NCC(C)CC 11a_100020588543_100020587367 [0,1,0,0,0,1|1,0,1]=4 5752 B11R0.120 C/C=C(\C)/C(=O)NCC(C)CC 1626a_100020588543_100020587367 [0,1,0,0,0,1|1,0,1]=4 5753 B11R0.120 CCC(C)C(=O)CCN(C)CC 1458a_100000755305_100000758301 [0,1,0,0,0,1|2,0,0]=4 5754 B11R0.120 CCC(C)C(=O)NCC(C)CO 240690a_100000744482_100011192722 [0,1,0,0,0,1|2,0,0]=4 5755 B11R0.120 CCC(C)C(=O)NCC(C)CO 527a_100000744482_100011192722 [0,1,0,0,0,1|2,0,0]=4 5756 B11R0.120 CCC(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100011192722 [0,1,0,0,0,1|2,0,0]=4 5757 B11R0.120 CCC(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100011192722 [0,1,0,0,0,1|2,0,0]=4 5758 B11R0.120 CCC(C)C(=O)NC[C@@H](C)OC 240690a_100020591295_100011192722 [0,1,0,0,0,1|2,0,0]=4 5759 B11R0.120 CCC(C)C(=O)NC[C@@H](C)OC 527a_100020591295_100011192722 [0,1,0,0,0,1|2,0,0]=4 5760 B11R0.120 CCC(C)CCC(=O)C(C)CC 1458a_100000701222_100000758301 [0,1,0,0,0,1|1,0,0]=3 5761 B11R0.120 CCC(C)CCC(=O)N(C)CC 11a_100000225621_100000701222 [0,1,0,0,0,1|1,0,0]=3 5762 B11R0.120 CCC(C)CCC(=O)N(C)CC 1626a_100000225621_100000701222 [0,1,0,0,0,1|1,0,0]=3 5763 B11R0.120 CCC(C)CCC(=O)N(C)CC 240690a_100000225621_100000701222 [0,1,0,0,0,1|1,0,0]=3 5764 B11R0.120 CCC(C)CCC(=O)N(C)CC 527a_100000225621_100000701222 [0,1,0,0,0,1|1,0,0]=3 5765 B11R0.120 CCC(C)CNC(=O)C(=O)NC 1626a_100020588543_100011218921 [0,1,0,0,0,1|2,0,0]=4 5766 B11R0.120 CCC(C)CNC(=O)C(=O)NC 240690a_100020588543_100011218921 [0,1,0,0,0,1|2,0,0]=4 5767 B11R0.120 CCC(C)CNC(=O)C(=O)NC 527a_100020588543_100011218921 [0,1,0,0,0,1|2,0,0]=4 5768 B11R0.120 CCC(C)CNC(=O)C(=O)OC 11a_100020588543_100000024059 [0,1,0,0,0,1|2,0,0]=4 5769 B11R0.120 CCC(C)CNC(=O)C(=O)OC 1626a_100020588543_100000024059 [0,1,0,0,0,1|2,0,0]=4 5770 B11R0.120 CCC(C)CNC(=O)C(=O)OC 240690a_100020588543_100000024059 [0,1,0,0,0,1|2,0,0]=4 5771 B11R0.120 CCC(C)CNC(=O)C(=O)OC 527a_100020588543_100000024059 [0,1,0,0,0,1|2,0,0]=4 5772 B11R0.120 CCC(C)CNC(=O)C(C)CC 11a_100020588543_100011192722 [0,1,0,0,0,1|1,0,0]=3 5773 B11R0.120 CCC(C)CNC(=O)C(C)CC 1626a_100020588543_100011192722 [0,1,0,0,0,1|1,0,0]=3 5774 B11R0.120 CCC(C)CNC(=O)C(C)CC 240690a_100020588543_100011192722 [0,1,0,0,0,1|1,0,0]=3 5775 B11R0.120 CCC(C)CNC(=O)C(C)CC 527a_100020588543_100011192722 [0,1,0,0,0,1|1,0,0]=3 5776 B11R0.120 CCC(C)CNC(=O)C(C)OC 11a_100020588543_100000743197 [0,1,0,0,0,1|2,0,0]=4 5777 B11R0.120 CCC(C)CNC(=O)C(C)OC 1626a_100020588543_100000743197 [0,1,0,0,0,1|2,0,0]=4 5778 B11R0.120 CCC(C)CNC(=O)C(C)OC 240690a_100020588543_100000743197 [0,1,0,0,0,1|2,0,0]=4 5779 B11R0.120 CCC(C)CNC(=O)C(C)OC 527a_100020588543_100000743197 [0,1,0,0,0,1|2,0,0]=4 5780 B11R0.120 CCC(C)CNC(=O)C(C)SC 11a_100020588543_100000149566 [0,1,0,0,0,1|2,0,0]=4 5781 B11R0.120 CCC(C)CNC(=O)C(C)SC 1626a_100020588543_100000149566 [0,1,0,0,0,1|2,0,0]=4 5782 B11R0.120 CCC(C)CNC(=O)C(C)SC 240690a_100020588543_100000149566 [0,1,0,0,0,1|2,0,0]=4 5783 B11R0.120 CCC(C)CNC(=O)C(C)SC 527a_100020588543_100000149566 [0,1,0,0,0,1|2,0,0]=4 5784 B11R0.120 CCC(C)CNC(=O)C(O)CC 240690a_100020588543_100011196387 [0,1,0,0,0,1|1,0,0]=3 5785 B11R0.120 CCC(C)CNC(=O)C(O)CO 240690a_100020588543_100011215603 [0,1,0,0,0,1|2,0,0]=4 5786 B11R0.120 CCC(C)CNC(=O)N(C)CC 2708a_100020588543_100000225621 [0,1,0,0,0,1|1,0,0]=3 5787 B11R0.120 CCC(C)CNC(=O)N(C)CC 273464a_100020588543_100000225621 [0,1,0,0,0,1|1,0,0]=3 5788 B11R0.120 CCC(C)NCC(=O)N(C)CC 2230a_100000209981_100000738999 [0,1,0,0,0,1|1,0,0]=3 5789 B11R0.120 CCC(C)NCC(=O)N(C)OC 2230a_100000209981_100000764215 [0,1,0,0,0,1|2,0,0]=4 5790 B11R0.120 CCC(C)NCC(=O)N(C)OC 2230a_100015207273_100000758301 [0,1,0,0,0,1|2,0,0]=4 5791 B11R0.120 CCC(C)NNC(=O)C(C)CC 22a_100000718999_100011192722 [0,1,0,0,0,1|2,0,0]=4 5792 B11R0.120 CCC(C)NNC(=O)C(O)CC 22a_100000718999_100011196387 [0,1,0,0,0,1|2,0,0]=4 5793 B11R0.120 CCC(C)OCC(=O)N(C)CC 7a_100000210228_100000738999 [0,1,0,0,0,1|1,0,0]=3 5794 B11R0.120 CCC(C)OCC(=O)N(C)OC 7a_100000210228_100000764215 [0,1,0,0,0,1|2,0,0]=4 5795 B11R0.120 CCC(C)SCC(=O)C(=O)OC 62a_100000758301_100011610305 [0,1,0,0,0,1|2,0,0]=4 5796 B11R0.120 CCC(C)SCC(=O)C(=O)OC 62a_100011610305_100000758301 [0,1,0,0,0,1|2,0,0]=4 5797 B11R0.120 CCC(C)SCC(=O)N(C)CC 62a_100000738999_100000758301 [0,1,0,0,0,1|1,0,0]=3 5798 B11R0.120 CCC(C)SCC(=O)N(C)CC 62a_100000758301_100000738999 [0,1,0,0,0,1|1,0,0]=3 5799 B11R0.120 CCC(C)SCC(=O)N(C)OC 62a_100000758301_100000764215 [0,1,0,0,0,1|2,0,0]=4 5800 B11R0.120 CCC(C)SCC(=O)N(C)OC 62a_100000764215_100000758301 [0,1,0,0,0,1|2,0,0]=4 5801 B11R0.120 CCC(O)C(=O)NCC(C)CO 240690a_100000744482_100011196387 [0,1,0,0,0,1|2,0,0]=4 5802 B11R0.120 CCC(O)C(=O)NC[C@@H](C)OC 240690a_100020591295_100011196387 [0,1,0,0,0,1|2,0,0]=4 5803 B11R0.120 CCC(O)CCC(=O)N(C)CC 1626a_100000225621_203496584001 [0,1,0,0,0,1|2,0,0]=4 5804 B11R0.120 CCC(O)CCC(=O)N(C)CC 240690a_100000225621_203496584001 [0,1,0,0,0,1|2,0,0]=4 5805 B11R0.120 CCC(O)CNC(=O)C(C)CC 11a_100011218483_100011192722 [0,1,0,0,0,1|2,0,0]=4 5806 B11R0.120 CCC(O)CNC(=O)C(C)CC 240690a_100011218483_100011192722 [0,1,0,0,0,1|2,0,0]=4 5807 B11R0.120 CCC(O)CNC(=O)C(C)CC 527a_100011218483_100011192722 [0,1,0,0,0,1|2,0,0]=4 5808 B11R0.120 CCC(O)CNC(=O)C(O)CC 240690a_100011218483_100011196387 [0,1,0,0,0,1|2,0,0]=4 5809 B11R0.120 CCC(O)CNC(=O)N(C)CC 273464a_100011218483_100000225621 [0,1,0,0,0,1|2,0,0]=4 5810 B11R0.120 CCN(C)C(=O)CN[C@H](C)CO 2230a_100000737577_100000738999 [0,1,0,0,0,1|2,0,0]=4 5811 B11R0.120 CCN(C)C(=O)COC(C)CF 34a_100016041109_100000738999 [0,1,0,0,0,1|2,0,0]=4 5812 B11R0.120 CCN(C)C(=O)COC(C)CF 7a_100016041109_100000738999 [0,1,0,0,0,1|2,0,0]=4 5813 B11R0.120 CCN(C)C(=O)COC(C)CN 34a_100000210904_100000738999 [0,1,0,0,0,1|2,0,0]=4 5814 B11R0.120 CCN(C)C(=O)CSC(C)CO 62a_100012180447_100000738999 [0,1,0,0,0,1|2,0,0]=4 5815 B11R0.120 CCN(C)C(=O)CSC(C)OC 62a_100000738999_100009879195 [0,1,0,0,0,1|2,0,0]=4 5816 B11R0.120 CCN(C)C(=O)CSC(C)OC 62a_100009879195_100000738999 [0,1,0,0,0,1|2,0,0]=4 5817 B11R0.120 CCN(C)C(=O)CS[C@H](C)CO 62a_100000738999_100016084084 [0,1,0,0,0,1|2,0,0]=4 5818 B11R0.120 CCN(C)C(=O)CS[C@H](C)CO 62a_100016084084_100000738999 [0,1,0,0,0,1|2,0,0]=4 5819 B11R0.120 CCN(C)C(=O)NCC(C)CO 273464a_100000744482_100000225621 [0,1,0,0,0,1|2,0,0]=4 5820 B11R0.120 CCN(C)C(=O)NC[C@@H](C)OC 2708a_100020591295_100000225621 [0,1,0,0,0,1|2,0,0]=4 5821 B11R0.120 CCN(C)C(=O)NC[C@@H](C)OC 273464a_100020591295_100000225621 [0,1,0,0,0,1|2,0,0]=4 5822 B11R0.120 CCN(C)CCC(=O)N(C)CC 240690a_100000225621_100000755305 [0,1,0,0,0,1|2,0,0]=4 5823 B11R0.134 CCOC(CC)CNC(C)CC 2230a_100015183923_100000758301 [0,1,0,0,0,1|1,0,1]=4 5824 B11R0.134 CCOC(CC)CNC(C)CC 34a_100015183923_100011215416 [0,1,0,0,0,1|1,0,1]=4 5825 B11R0.141 C=COC(=O)CNC(C)C(C)C 2230a_100000211541_100000036128 [0,1,0,0,0,1|0,0,2]=4 5826 B11R0.141 CC(C)C(C)NCC(=O)NCO 2230a_100000211541_100000185155 [0,1,0,0,0,1|2,0,0]=4 5827 B11R0.141 CC(C)C(C)OCC(=O)NCO 7a_100000748068_100000185155 [0,1,0,0,0,1|2,0,0]=4 5828 B11R0.141 CCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210303 [0,1,0,0,0,1|2,0,0]=4 5829 B11R0.141 CCCC(=O)CNC(C)C(C)C 2230a_100000211541_100000747444 [0,1,0,0,0,1|1,0,0]=3 5830 B11R0.141 CCCC(=O)COC(C)C(C)C 7a_100000748068_100000747444 [0,1,0,0,0,1|1,0,0]=3 5831 B11R0.141 CCCC(=O)CSC(C)C(=O)C 62a_100000747444_100009814033 [0,1,0,0,0,1|1,0,1]=4 5832 B11R0.141 CCCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747444 [0,1,0,0,0,1|1,0,1]=4 5833 B11R0.141 CCCC(=O)NCC(O)C(C)C 11a_100000759067_100000211992 [0,1,0,0,0,1|2,0,0]=4 5834 B11R0.141 CCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000211992 [0,1,0,0,0,1|2,0,0]=4 5835 B11R0.141 CCCC(=O)NCC(O)C(C)C 527a_100000759067_100000211992 [0,1,0,0,0,1|2,0,0]=4 5836 B11R0.141 CCCC(=O)OCN(C)C(C)C 269982a_200000211004_100000034017 [0,1,0,0,0,1|2,0,0]=4 5837 B11R0.141 CCNC(=O)CCN(C)C(C)C 240690a_100015525214_100015184040 [0,1,0,0,0,1|2,0,0]=4 5838 B11R0.141 CCNC(=O)CCN(C)C(C)C 269982a_200000211004_100000737597 [0,1,0,0,0,1|2,0,0]=4 5839 B11R0.141 CCNC(=O)CNC(C)C(=O)C 2230a_100016988866_100009814033 [0,1,0,0,0,1|1,0,1]=4 5840 B11R0.141 CCNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183381 [0,1,0,0,0,1|1,0,0]=3 5841 B11R0.141 CCNC(=O)COC(C)C(=O)C 34a_100000212229_100000183381 [0,1,0,0,0,1|1,0,1]=4 5842 B11R0.141 CCNC(=O)COC(C)C(C)C 7a_100000748068_100000183381 [0,1,0,0,0,1|1,0,0]=3 5843 B11R0.141 CCNC(=O)CSC(C)C(=O)C 62a_100000183381_100009814033 [0,1,0,0,0,1|1,0,1]=4 5844 B11R0.141 CCNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183381 [0,1,0,0,0,1|1,0,1]=4 5845 B11R0.141 CCNC(=O)NCC(O)C(C)C 2708a_100015525214_100000759067 [0,1,0,0,0,1|2,0,0]=4 5846 B11R0.141 CCNC(=O)NCC(O)C(C)C 273464a_100000759067_100015525214 [0,1,0,0,0,1|2,0,0]=4 5847 B11R0.141 CCNC(=O)NCC(O)C(C)C 273464a_100015525214_100000759067 [0,1,0,0,0,1|2,0,0]=4 5848 B11R0.141 CCNC(=O)NCC(O)C(C)C 512a_100000759067_100015525214 [0,1,0,0,0,1|2,0,0]=4 5849 B11R0.141 CCNC(=O)NCC(O)C(C)C 512a_100015525214_100000759067 [0,1,0,0,0,1|2,0,0]=4 5850 B11R0.141 CCOC(=O)CCC(=O)C(C)C 1458a_100000183558_100000210206 [0,1,0,0,0,1|1,0,1]=4 5851 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,1,0,0,0,1|0,0,1]=3 5852 B11R0.141 CCOC(=O)CCC(C)N(C)C 2230a_100102631434_100000748298 [0,1,0,0,0,1|1,0,0]=3 5853 B11R0.141 CCOC(=O)CCC(C)N(C)C 269982a_100102631434_100000748298 [0,1,0,0,0,1|1,0,0]=3 5854 B11R0.141 CCOC(=O)CCN(C)C(=O)C 11a_100000745921_100015343762 [0,1,0,0,0,1|1,0,1]=4 5855 B11R0.141 CCOC(=O)CCN(C)C(=O)C 1626a_100000745921_100015343762 [0,1,0,0,0,1|1,0,1]=4 5856 B11R0.141 CCOC(=O)CCN(C)C(=O)C 240690a_100000745921_100015343762 [0,1,0,0,0,1|1,0,1]=4 5857 B11R0.141 CCOC(=O)CCN(C)C(=O)C 527a_100000745921_100103153847 [0,1,0,0,0,1|1,0,1]=4 5858 B11R0.141 CCOC(=O)CCN(C)C(C)C 2230a_100000745921_100000210206 [0,1,0,0,0,1|1,0,0]=3 5859 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100000745921_100000210206 [0,1,0,0,0,1|1,0,0]=3 5860 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100011277713_200000210301 [0,1,0,0,0,1|1,0,0]=3 5861 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_200000211004_100011206558 [0,1,0,0,0,1|1,0,0]=3 5862 B11R0.141 CCOC(=O)CCN([13CH3])C(C)C 269982a_100011277713_200025704644 [0,1,0,0,0,1|1,0,0]=3 5863 B11R0.141 CCOC(=O)CNC(=O)C(C)C 188690a_100000741813_100000210198 [0,1,0,0,0,1|1,0,1]=4 5864 B11R0.141 CCOC(=O)CNC(=O)C(C)F 188690a_100000741813_100000062450 [0,1,0,0,0,1|1,0,1]=4 5865 B11R0.141 CCOC(=O)CNC(=O)[C@@H](C)O 188690a_100000741813_100000717761 [0,1,0,0,0,1|1,0,1]=4 5866 B11R0.141 CCOC(=O)CNC(=O)[C@H](C)O 188690a_100000741813_217856618621 [0,1,0,0,0,1|1,0,1]=4 5867 B11R0.141 CCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000188475 [0,1,0,0,0,1|0,0,0]=2 5868 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000188475 [0,1,0,0,0,1|1,0,1]=4 5869 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000188475 [0,1,0,0,0,1|1,0,1]=4 5870 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000188475 [0,1,0,0,0,1|1,0,1]=4 5871 B11R0.141 CCOC(=O)COC(C)C(=O)C 34a_100000212229_100000188475 [0,1,0,0,0,1|0,0,1]=3 5872 B11R0.141 CCOC(=O)COC(C)C(C)C 7a_100000748068_100000188475 [0,1,0,0,0,1|0,0,0]=2 5873 B11R0.141 CCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000188475 [0,1,0,0,0,1|1,0,1]=4 5874 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000188475 [0,1,0,0,0,1|1,0,1]=4 5875 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000188475 [0,1,0,0,0,1|1,0,1]=4 5876 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100000188475_100009814033 [0,1,0,0,0,1|0,0,1]=3 5877 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000188475 [0,1,0,0,0,1|0,0,1]=3 5878 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000188475_100000702099 [0,1,0,0,0,1|1,0,1]=4 5879 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000702099_100000188475 [0,1,0,0,0,1|1,0,1]=4 5880 B11R0.141 CCOC(=O)NCC(=O)C(C)C 1458a_100000190774_100000210206 [0,1,0,0,0,1|1,0,1]=4 5881 B11R0.170 C#CC(C)(C)NCC(=O)OCC 34a_100000054563_100000188475 [0,1,0,0,0,1|0,0,2]=4 5882 B11R0.170 C#CC(C)(C)OCC(=O)OCC 34a_100000189450_100000188475 [0,1,0,0,0,1|0,0,2]=4 5883 B11R0.170 C#CC(C)(C)OCC(=O)OCC 7a_100000189450_100000188475 [0,1,0,0,0,1|0,0,2]=4 5884 B11R0.170 C#CC(C)(C)SCC(=O)OCC 62a_100000038118_100000188475 [0,1,0,0,0,1|0,0,2]=4 5885 B11R0.170 C#CC(C)(C)SCC(=O)OCC 62a_100000188475_100000038118 [0,1,0,0,0,1|0,0,2]=4 5886 B11R0.170 C=CC(C)(C)OCC(=O)OCC 34a_100011215311_100000188475 [0,1,0,0,0,1|0,0,2]=4 5887 B11R0.170 C=CC(C)(C)OCC(=O)OCC 7a_100011215311_100000188475 [0,1,0,0,0,1|0,0,2]=4 5888 B11R0.170 C=COC(=O)CNC(C)(C)CC 2230a_100000211385_100000036128 [0,1,0,0,0,1|0,0,2]=4 5889 B11R0.170 C=COC(=O)CSC(C)(C)CC 62a_100000032637_100000036128 [0,1,0,0,0,1|0,0,2]=4 5890 B11R0.170 C=COC(=O)CSC(C)(C)CC 62a_100000036128_100000032637 [0,1,0,0,0,1|0,0,2]=4 5891 B11R0.170 CCC(C)(C)NCC(=O)NCO 2230a_100000211385_100000185155 [0,1,0,0,0,1|2,0,0]=4 5892 B11R0.170 CCC(C)(C)OCC(=O)NCO 7a_100000210230_100000185155 [0,1,0,0,0,1|2,0,0]=4 5893 B11R0.170 CCC(C)(C)SCC(=O)NCO 62a_100000032637_100000185155 [0,1,0,0,0,1|2,0,0]=4 5894 B11R0.170 CCC(C)(C)SCC(=O)NCO 62a_100000185155_100000032637 [0,1,0,0,0,1|2,0,0]=4 5895 B11R0.170 CCCC(=O)CNC(C)(C)CC 2230a_100000211385_100000747444 [0,1,0,0,0,1|1,0,0]=3 5896 B11R0.170 CCCC(=O)CNC(C)(C)CO 2230a_100000210608_100000747444 [0,1,0,0,0,1|2,0,0]=4 5897 B11R0.170 CCCC(=O)COC(C)(C)CC 7a_100000210230_100000747444 [0,1,0,0,0,1|1,0,0]=3 5898 B11R0.170 CCCC(=O)COC(C)(C)CCl 7a_100000764493_100000747444 [0,1,0,0,0,1|2,0,0]=4 5899 B11R0.170 CCCC(=O)CSC(C)(C)CC 62a_100000032637_100000747444 [0,1,0,0,0,1|1,0,0]=3 5900 B11R0.170 CCCC(=O)CSC(C)(C)CC 62a_100000747444_100000032637 [0,1,0,0,0,1|1,0,0]=3 5901 B11R0.170 CCCC(=O)NCC(C)(C)CO 240690a_100020635058_100000211992 [0,1,0,0,0,1|2,0,0]=4 5902 B11R0.170 CCCC(=O)NCC(C)(C)CO 527a_100020635058_100000211992 [0,1,0,0,0,1|2,0,0]=4 5903 B11R0.170 CCCC(=O)NCC(C)(C)OC 11a_100000763424_100000211992 [0,1,0,0,0,1|2,0,0]=4 5904 B11R0.170 CCCC(=O)NCC(C)(C)OC 1626a_100000763424_100000211992 [0,1,0,0,0,1|2,0,0]=4 5905 B11R0.170 CCCC(=O)NCC(C)(C)OC 240690a_100000763424_100000211992 [0,1,0,0,0,1|2,0,0]=4 5906 B11R0.170 CCCC(=O)NCC(C)(C)OC 527a_100000763424_100000211992 [0,1,0,0,0,1|2,0,0]=4 5907 B11R0.170 CCNC(=O)CNC(C)(C)CC 2230a_100000211385_100000183381 [0,1,0,0,0,1|1,0,0]=3 5908 B11R0.170 CCNC(=O)CNC(C)(C)CO 2230a_100000210608_100000183381 [0,1,0,0,0,1|2,0,0]=4 5909 B11R0.170 CCNC(=O)COC(C)(C)CC 7a_100000210230_100000183381 [0,1,0,0,0,1|1,0,0]=3 5910 B11R0.170 CCNC(=O)COC(C)(C)CCl 7a_100000764493_100000183381 [0,1,0,0,0,1|2,0,0]=4 5911 B11R0.170 CCNC(=O)CSC(C)(C)CC 62a_100000032637_100000183381 [0,1,0,0,0,1|1,0,0]=3 5912 B11R0.170 CCNC(=O)CSC(C)(C)CC 62a_100000183381_100000032637 [0,1,0,0,0,1|1,0,0]=3 5913 B11R0.170 CCNC(=O)NCC(C)(C)CO 2708a_100015525214_100020635058 [0,1,0,0,0,1|2,0,0]=4 5914 B11R0.170 CCNC(=O)NCC(C)(C)CO 273464a_100015525214_100020635058 [0,1,0,0,0,1|2,0,0]=4 5915 B11R0.170 CCNC(=O)NCC(C)(C)CO 273464a_100020635058_100015525214 [0,1,0,0,0,1|2,0,0]=4 5916 B11R0.170 CCNC(=O)NCC(C)(C)CO 512a_100015525214_100020635058 [0,1,0,0,0,1|2,0,0]=4 5917 B11R0.170 CCNC(=O)NCC(C)(C)CO 512a_100020635058_100015525214 [0,1,0,0,0,1|2,0,0]=4 5918 B11R0.170 CCNC(=O)NCC(C)(C)OC 2708a_100000763424_100015525214 [0,1,0,0,0,1|2,0,0]=4 5919 B11R0.170 CCNC(=O)NCC(C)(C)OC 2708a_100015525214_100000763424 [0,1,0,0,0,1|2,0,0]=4 5920 B11R0.170 CCNC(=O)NCC(C)(C)OC 273464a_100000763424_100015525214 [0,1,0,0,0,1|2,0,0]=4 5921 B11R0.170 CCNC(=O)NCC(C)(C)OC 273464a_100015525214_100000763424 [0,1,0,0,0,1|2,0,0]=4 5922 B11R0.170 CCNC(=O)NCC(C)(C)OC 512a_100000763424_100015525214 [0,1,0,0,0,1|2,0,0]=4 5923 B11R0.170 CCNC(=O)NCC(C)(C)OC 512a_100015525214_100000763424 [0,1,0,0,0,1|2,0,0]=4 5924 B11R0.170 CCOC(=O)CNC(C)(C)CC 2230a_100000211385_100000188475 [0,1,0,0,0,1|0,0,0]=2 5925 B11R0.170 CCOC(=O)CNC(C)(C)CO 2230a_100000210608_100000188475 [0,1,0,0,0,1|1,0,0]=3 5926 B11R0.170 CCOC(=O)COC(C)(C)C#N 34a_200015195151_100000188475 [0,1,0,0,0,1|1,0,1]=4 5927 B11R0.170 CCOC(=O)COC(C)(C)CC 7a_100000210230_100000188475 [0,1,0,0,0,1|0,0,0]=2 5928 B11R0.170 CCOC(=O)COC(C)(C)CCl 7a_100000764493_100000188475 [0,1,0,0,0,1|1,0,0]=3 5929 B11R0.170 CCOC(=O)CSC(C)(C)C#N 62a_100000188475_100011162410 [0,1,0,0,0,1|1,0,1]=4 5930 B11R0.170 CCOC(=O)CSC(C)(C)C#N 62a_100011162410_100000188475 [0,1,0,0,0,1|1,0,1]=4 5931 B11R0.170 CCOC(=O)CSC(C)(C)CC 62a_100000032637_100000188475 [0,1,0,0,0,1|0,0,0]=2 5932 B11R0.170 CCOC(=O)CSC(C)(C)CC 62a_100000188475_100000032637 [0,1,0,0,0,1|0,0,0]=2 5933 B11R0.170 CCOC(=O)CSC(F)(F)CO 62a_100000188475_100011217949 [0,1,0,0,0,1|2,0,0]=4 5934 B11R0.170 CCOC(=O)CSC(F)(F)CO 62a_100011217949_100000188475 [0,1,0,0,0,1|2,0,0]=4 5935 B11R0.187 C#CC(C)C(=O)CC(=O)OCC 1458a_100000243816_200000035995 [0,1,0,0,0,1|0,0,2]=4 5936 B11R0.187 C/C=C(\C)/C(=O)CC(=O)OCC 1458a_100020587367_100000188475 [0,1,0,0,0,1|0,0,2]=4 5937 B11R0.187 C=C(CCC)CC(=O)C(C)CC 1458a_100000138376_100000758301 [0,1,0,0,0,1|2,0,0]=4 5938 B11R0.187 C=CC(C)C(=O)CC(=O)OCC 1458a_100011216780_100000188475 [0,1,0,0,0,1|0,0,2]=4 5939 B11R0.187 C=COC(=O)CC(=O)C(C)CC 1458a_100011192722_100000036128 [0,1,0,0,0,1|0,0,2]=4 5940 B11R0.187 C=COC(=O)CN(C)C(C)CC 2230a_100000741768_100000036128 [0,1,0,0,0,1|0,0,2]=4 5941 B11R0.187 C=COC(=O)CN(C)C(C)CC 269982a_100000741768_100000036128 [0,1,0,0,0,1|0,0,2]=4 5942 B11R0.187 CCC(C)C(=O)CC(=O)NCO 1458a_100011192722_100000185155 [0,1,0,0,0,1|2,0,0]=4 5943 B11R0.187 CCC(C)N(C)CC(=O)NCO 2230a_100000741768_100000185155 [0,1,0,0,0,1|2,0,0]=4 5944 B11R0.187 CCC(C)N(C)CC(=O)NCO 269982a_100000741768_100000185155 [0,1,0,0,0,1|2,0,0]=4 5945 B11R0.187 CCCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747444 [0,1,0,0,0,1|1,0,0]=3 5946 B11R0.187 CCCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747444 [0,1,0,0,0,1|2,0,0]=4 5947 B11R0.187 CCCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747444 [0,1,0,0,0,1|2,0,0]=4 5948 B11R0.187 CCCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747444 [0,1,0,0,0,1|2,0,0]=4 5949 B11R0.187 CCCC(=O)CC(=O)N(C)CC 1458a_100000211992_100011894763 [0,1,0,0,0,1|2,0,0]=4 5950 B11R0.187 CCCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210303 [0,1,0,0,0,1|2,0,0]=4 5951 B11R0.187 CCCC(=O)CN(C)C(C)CC 2230a_100000741768_100000747444 [0,1,0,0,0,1|1,0,0]=3 5952 B11R0.187 CCCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747444 [0,1,0,0,0,1|1,0,0]=3 5953 B11R0.187 CCCC(=O)CN(C)C(C)CO 2230a_100000693034_100000747444 [0,1,0,0,0,1|2,0,0]=4 5954 B11R0.187 CCCC(=O)CN(C)C(C)CO 269982a_100000693034_100000747444 [0,1,0,0,0,1|2,0,0]=4 5955 B11R0.187 CCCS(=O)CC(=O)C(C)CC 1458a_100011387404_100000758301 [0,1,0,0,0,1|2,0,0]=4 5956 B11R0.187 CCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183381 [0,1,0,0,0,1|1,0,0]=3 5957 B11R0.187 CCNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000183381 [0,1,0,0,0,1|2,0,0]=4 5958 B11R0.187 CCNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183381 [0,1,0,0,0,1|2,0,0]=4 5959 B11R0.187 CCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183381 [0,1,0,0,0,1|2,0,0]=4 5960 B11R0.187 CCNC(=O)CC(C)N(C)CC 240690a_100015525214_200015187196 [0,1,0,0,0,1|2,0,0]=4 5961 B11R0.187 CCNC(=O)CC(C)N(C)CC 527a_100015525214_200015187196 [0,1,0,0,0,1|2,0,0]=4 5962 B11R0.187 CCNC(=O)CN(C)C(C)CC 2230a_100000741768_100000183381 [0,1,0,0,0,1|1,0,0]=3 5963 B11R0.187 CCNC(=O)CN(C)C(C)CC 2230a_100000741943_100000758301 [0,1,0,0,0,1|1,0,0]=3 5964 B11R0.187 CCNC(=O)CN(C)C(C)CC 269982a_100000741768_100000183381 [0,1,0,0,0,1|1,0,0]=3 5965 B11R0.187 CCNC(=O)CN(C)C(C)CC 269982a_100000741943_100000758301 [0,1,0,0,0,1|1,0,0]=3 5966 B11R0.187 CCNC(=O)CN(C)C(C)CO 2230a_100000693034_100000183381 [0,1,0,0,0,1|2,0,0]=4 5967 B11R0.187 CCNC(=O)CN(C)C(C)CO 2230a_100000741943_100012180447 [0,1,0,0,0,1|2,0,0]=4 5968 B11R0.187 CCNC(=O)CN(C)C(C)CO 269982a_100000693034_100000183381 [0,1,0,0,0,1|2,0,0]=4 5969 B11R0.187 CCNC(=O)CN(C)C(C)OC 269982a_100000741943_100009879195 [0,1,0,0,0,1|2,0,0]=4 5970 B11R0.187 CCNC(=O)CN(C)[C@H](C)CO 269982a_100000741943_100016084084 [0,1,0,0,0,1|2,0,0]=4 5971 B11R0.187 CCOC(=O)CC(=O)C(C)C#N 1458a_100000243816_100000703298 [0,1,0,0,0,1|1,0,1]=4 5972 B11R0.187 CCOC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000188475 [0,1,0,0,0,1|1,0,1]=4 5973 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100000243816_100000758301 [0,1,0,0,0,1|0,0,0]=2 5974 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000188475 [0,1,0,0,0,1|0,0,0]=2 5975 B11R0.187 CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000188475 [0,1,0,0,0,1|1,0,0]=3 5976 B11R0.187 CCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000188475 [0,1,0,0,0,1|1,0,0]=3 5977 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_100010090504_200000210301 [0,1,0,0,0,1|1,0,0]=3 5978 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_200000210301_100010090504 [0,1,0,0,0,1|1,0,0]=3 5979 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_100010090504_200025704644 [0,1,0,0,0,1|1,0,0]=3 5980 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100010090504 [0,1,0,0,0,1|1,0,0]=3 5981 B11R0.187 CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000188475 [0,1,0,0,0,1|1,0,0]=3 5982 B11R0.187 CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000188475 [0,1,0,0,0,1|2,0,0]=4 5983 B11R0.187 CCOC(=O)CC(=O)N(C)CC 240690a_100000225621_100000243816 [0,1,0,0,0,1|1,0,0]=3 5984 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [0,1,0,0,0,1|1,0,1]=4 5985 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [0,1,0,0,0,1|1,0,0]=3 5986 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [0,1,0,0,0,1|1,0,0]=3 5987 B11R0.187 CCOC(=O)CN(C)C(=O)CC 11a_100000220588_100000210414 [0,1,0,0,0,1|1,0,1]=4 5988 B11R0.187 CCOC(=O)CN(C)C(=O)CC 1626a_100000220588_100000210414 [0,1,0,0,0,1|1,0,1]=4 5989 B11R0.187 CCOC(=O)CN(C)C(=O)CC 240690a_100000220588_100000210414 [0,1,0,0,0,1|1,0,1]=4 5990 B11R0.187 CCOC(=O)CN(C)C(=O)CC 527a_100000220588_100000210414 [0,1,0,0,0,1|1,0,1]=4 5991 B11R0.187 CCOC(=O)CN(C)C(C)C#N 2230a_100000220588_100000184139 [0,1,0,0,0,1|1,0,1]=4 5992 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000220588_100000758301 [0,1,0,0,0,1|0,0,0]=2 5993 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000188475 [0,1,0,0,0,1|0,0,0]=2 5994 B11R0.187 CCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000188475 [0,1,0,0,0,1|0,0,0]=2 5995 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000220588_100012180447 [0,1,0,0,0,1|1,0,0]=3 5996 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000693034_100000188475 [0,1,0,0,0,1|1,0,0]=3 5997 B11R0.187 CCOC(=O)CN(C)C(C)CO 269982a_100000693034_100000188475 [0,1,0,0,0,1|1,0,0]=3 5998 B11R0.187 CCOC(=O)OC(C)N(C)CC 269982a_100000225621_100000036008 [0,1,0,0,0,1|1,0,0]=3 5999 B11R0.1 C#CCN(C)CC(=O)OC(C)C 2230a_100000225692_100011215430 [0,2,0,0,0,0|1,0,1]=4 6000 B11R0.1 C#CCN(C)CC(=O)OC(C)C 34a_100000225692_100011215430 [0,2,0,0,0,0|1,0,1]=4 6001 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,2,0,0,0,0|1,0,1]=4 6002 B11R0.1 C=C(C)CC(=O)CC(C)CCC 1458a_100000748435_100000748629 [0,2,0,0,0,0|1,0,1]=4 6003 B11R0.1 C=C(C)CC(=O)CC(C)SCC 1458a_200011311441_100000748629 [0,2,0,0,0,0|1,0,1]=4 6004 B11R0.1 C=C(C)CN(C)CC(=O)CCC 2230a_100000225649_100000747444 [0,2,0,0,0,0|2,0,0]=4 6005 B11R0.1 C=C(C)CN(C)CC(=O)CCC 269982a_100000225649_100000747444 [0,2,0,0,0,0|2,0,0]=4 6006 B11R0.1 C=C(C)CN(C)CC(=O)NCC 2230a_100000225649_100000183381 [0,2,0,0,0,0|2,0,0]=4 6007 B11R0.1 C=C(C)CN(C)CC(=O)NCC 2230a_100000741943_100000748629 [0,2,0,0,0,0|2,0,0]=4 6008 B11R0.1 C=C(C)CN(C)CC(=O)NCC 269982a_100000225649_100000183381 [0,2,0,0,0,0|2,0,0]=4 6009 B11R0.1 C=C(C)CN(C)CC(=O)NCC 269982a_100000741943_100000748629 [0,2,0,0,0,0|2,0,0]=4 6010 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000220588_100000748629 [0,2,0,0,0,0|1,0,0]=3 6011 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000225649_100000188475 [0,2,0,0,0,0|1,0,0]=3 6012 B11R0.1 C=C(C)CN(C)CC(=O)OCC 269982a_100000225649_100000188475 [0,2,0,0,0,0|1,0,0]=3 6013 B11R0.1 C=C(F)CN(C)CC(=O)OCC 2230a_100000220588_100009893438 [0,2,0,0,0,0|1,0,1]=4 6014 B11R0.1 C=CCN(C)CC(=O)OC(C)C 2230a_100000225617_100011215430 [0,2,0,0,0,0|1,0,1]=4 6015 B11R0.1 C=CCN(C)CC(=O)OC(C)C 269982a_100000225617_100011215430 [0,2,0,0,0,0|1,0,1]=4 6016 B11R0.1 CC(C)CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210554 [0,2,0,0,0,0|2,0,0]=4 6017 B11R0.1 CC(C)CC(=O)N[C@H](C)CCO 527a_100000706166_100000210554 [0,2,0,0,0,0|2,0,0]=4 6018 B11R0.1 CC(C)NC(=O)CN(C)CCF 2230a_100000168146_100011217306 [0,2,0,0,0,0|2,0,0]=4 6019 B11R0.1 CC(C)NC(=O)CN(C)CCF 269982a_100000168146_100011217306 [0,2,0,0,0,0|2,0,0]=4 6020 B11R0.1 CC(C)NC(=O)CN(C)CCO 2230a_100000168146_100000211926 [0,2,0,0,0,0|2,0,0]=4 6021 B11R0.1 CC(C)NC(=O)CN(C)CCO 2230a_100000210263_100000183996 [0,2,0,0,0,0|2,0,0]=4 6022 B11R0.1 CC(C)NC(=O)CN(C)CCO 269982a_100000168146_100000211926 [0,2,0,0,0,0|2,0,0]=4 6023 B11R0.1 CC(C)NC(=O)CN(C)CCO 269982a_100000210263_100000183996 [0,2,0,0,0,0|2,0,0]=4 6024 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 2708a_100138425928_100000706166 [0,2,0,0,0,0|2,0,0]=4 6025 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 512a_100000706166_100138425928 [0,2,0,0,0,0|2,0,0]=4 6026 B11R0.1 CC(C)NC(=O)N[C@H](C)CCO 512a_100138425928_100000706166 [0,2,0,0,0,0|2,0,0]=4 6027 B11R0.1 CC(C)OC(=O)CC(=O)CCO 1458a_100011216618_100011215430 [0,2,0,0,0,0|1,0,1]=4 6028 B11R0.1 CC(C)OC(=O)CN(C)CC#N 2230a_100000748184_100011215430 [0,2,0,0,0,0|1,0,1]=4 6029 B11R0.1 CC(C)OC(=O)CN(C)CCO 2230a_100000210263_100011215430 [0,2,0,0,0,0|1,0,0]=3 6030 B11R0.1 CC(C)OC(=O)CN(C)CCO 269982a_100000210263_100011215430 [0,2,0,0,0,0|1,0,0]=3 6031 B11R0.1 CC(C)OC(=O)OC(C)SCF 62a_100000067433_100015361967 [0,2,0,0,0,0|2,0,0]=4 6032 B11R0.1 CC(C)OC(=O)OC(C)SCF 62a_100015361967_100000067433 [0,2,0,0,0,0|2,0,0]=4 6033 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,2,0,0,0,0|1,0,1]=4 6034 B11R0.1 CCCC(=O)CN(C)CC(C)C 2230a_100000747067_100000747444 [0,2,0,0,0,0|2,0,0]=4 6035 B11R0.1 CCCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747444 [0,2,0,0,0,0|2,0,0]=4 6036 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,2,0,0,0,0|2,0,0]=4 6037 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,2,0,0,0,0|2,0,0]=4 6038 B11R0.1 CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211992 [0,2,0,0,0,0|2,0,0]=4 6039 B11R0.1 CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211992 [0,2,0,0,0,0|2,0,0]=4 6040 B11R0.1 CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211992 [0,2,0,0,0,0|2,0,0]=4 6041 B11R0.1 CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211992 [0,2,0,0,0,0|2,0,0]=4 6042 B11R0.1 CCCC(=O)NC(C)CN(C)C 11a_100016992788_100000211992 [0,2,0,0,0,0|2,0,0]=4 6043 B11R0.1 CCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000211992 [0,2,0,0,0,0|2,0,0]=4 6044 B11R0.1 CCCC(=O)NC(C)CN(C)C 527a_100016992788_100000211992 [0,2,0,0,0,0|2,0,0]=4 6045 B11R0.1 CCCC(C)CC(=O)C=C(C)C 1458a_100000211388_100011216630 [0,2,0,0,0,0|1,0,1]=4 6046 B11R0.1 CCCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100011216630 [0,2,0,0,0,0|1,0,1]=4 6047 B11R0.1 CCCC(C)CC(=O)C=C(C)I 1458a_100025716642_100011216630 [0,2,0,0,0,0|1,0,1]=4 6048 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,2,0,0,0,0|1,0,0]=3 6049 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,2,0,0,0,0|1,0,0]=3 6050 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,2,0,0,0,0|1,0,0]=3 6051 B11R0.1 CCCC(C)CC(=O)CC(F)F 1458a_100000748435_100011934356 [0,2,0,0,0,0|2,0,0]=4 6052 B11R0.1 CCCC(C)CC(=O)CN(C)C 1458a_100000750896_100011216630 [0,2,0,0,0,0|2,0,0]=4 6053 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,2,0,0,0,0|1,0,0]=3 6054 B11R0.1 CCCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100011216630 [0,2,0,0,0,0|2,0,0]=4 6055 B11R0.1 CCCC(C)CC(=O)NC(C)C 11a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 6056 B11R0.1 CCCC(C)CC(=O)NC(C)C 1626a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 6057 B11R0.1 CCCC(C)CC(=O)NC(C)C 240690a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 6058 B11R0.1 CCCC(C)CC(=O)NC(C)C 527a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 6059 B11R0.1 CCCC(C)NC(=O)CC(C)C 11a_100000741246_100000210554 [0,2,0,0,0,0|2,0,0]=4 6060 B11R0.1 CCCC(C)NC(=O)CC(C)C 1626a_100000741246_100000210554 [0,2,0,0,0,0|2,0,0]=4 6061 B11R0.1 CCCC(C)NC(=O)CC(C)C 240690a_100000741246_100000210554 [0,2,0,0,0,0|2,0,0]=4 6062 B11R0.1 CCCC(C)NC(=O)CC(C)C 527a_100000741246_100000210554 [0,2,0,0,0,0|2,0,0]=4 6063 B11R0.1 CCCC(C)NC(=O)C[C@@H](C)O 240690a_100000741246_100011933948 [0,2,0,0,0,0|2,0,0]=4 6064 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100000741246_100138425928 [0,2,0,0,0,0|2,0,0]=4 6065 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000741246 [0,2,0,0,0,0|2,0,0]=4 6066 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100000741246_100138425928 [0,2,0,0,0,0|2,0,0]=4 6067 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100138425928_100000741246 [0,2,0,0,0,0|2,0,0]=4 6068 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210303 [0,2,0,0,0,0|2,0,0]=4 6069 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000747261_100000183996 [0,2,0,0,0,0|2,0,0]=4 6070 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210303 [0,2,0,0,0,0|2,0,0]=4 6071 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000747261_100000183996 [0,2,0,0,0,0|2,0,0]=4 6072 B11R0.1 CCCN(C)CC(=O)OC(C)C 2230a_100000747261_100011215430 [0,2,0,0,0,0|1,0,0]=3 6073 B11R0.1 CCCN(C)CC(=O)OC(C)C 269982a_100000747261_100011215430 [0,2,0,0,0,0|1,0,0]=3 6074 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000741943_100000210760 [0,2,0,0,0,0|2,0,0]=4 6075 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183381 [0,2,0,0,0,0|2,0,0]=4 6076 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000741943_100000210624 [0,2,0,0,0,0|2,0,0]=4 6077 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183381 [0,2,0,0,0,0|2,0,0]=4 6078 B11R0.1 CCNC(=O)CN(C)CC(C)C 270004a_100000741943_100000210432 [0,2,0,0,0,0|2,0,0]=4 6079 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000227577_100000183381 [0,2,0,0,0,0|2,0,0]=4 6080 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000741943_100011218427 [0,2,0,0,0,0|2,0,0]=4 6081 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000227577_100000183381 [0,2,0,0,0,0|2,0,0]=4 6082 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000741943_100011218427 [0,2,0,0,0,0|2,0,0]=4 6083 B11R0.1 CCNC(=O)CN(C)CC(F)F 2230a_100000741943_100011934356 [0,2,0,0,0,0|2,0,0]=4 6084 B11R0.1 CCNC(=O)CN(C)CC(F)F 269982a_100000741943_100011934356 [0,2,0,0,0,0|2,0,0]=4 6085 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 2230a_100000741943_100009817552 [0,2,0,0,0,0|2,0,0]=4 6086 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 269982a_100000741943_100009817552 [0,2,0,0,0,0|2,0,0]=4 6087 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100000692259_100015525214 [0,2,0,0,0,0|2,0,0]=4 6088 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100015525214_100000692259 [0,2,0,0,0,0|2,0,0]=4 6089 B11R0.1 CCNC(=O)NC(C)CC(C)C 273464a_100000692259_100015525214 [0,2,0,0,0,0|2,0,0]=4 6090 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100000692259_100015525214 [0,2,0,0,0,0|2,0,0]=4 6091 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100015525214_100000692259 [0,2,0,0,0,0|2,0,0]=4 6092 B11R0.1 CCNC(=O)NC(C)CN(C)C 2708a_100015525214_100016992788 [0,2,0,0,0,0|2,0,0]=4 6093 B11R0.1 CCNC(=O)NC(C)CN(C)C 273464a_100015525214_100016992788 [0,2,0,0,0,0|2,0,0]=4 6094 B11R0.1 CCNC(=O)NC(C)CN(C)C 273464a_100016992788_100015525214 [0,2,0,0,0,0|2,0,0]=4 6095 B11R0.1 CCNC(=O)NC(C)CN(C)C 512a_100015525214_100016992788 [0,2,0,0,0,0|2,0,0]=4 6096 B11R0.1 CCNC(=O)NC(C)CN(C)C 512a_100016992788_100015525214 [0,2,0,0,0,0|2,0,0]=4 6097 B11R0.1 CCOC(=O)C=C(C)CN(C)C 2230a_100102631434_100135422193 [0,2,0,0,0,0|0,0,2]=4 6098 B11R0.1 CCOC(=O)C=C(C)CN(C)C 269982a_100102631434_100135422193 [0,2,0,0,0,0|0,0,2]=4 6099 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,2,0,0,0,0|1,0,1]=4 6100 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,2,0,0,0,0|1,0,1]=4 6101 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,2,0,0,0,0|1,0,1]=4 6102 B11R0.1 CCOC(=O)CC(=O)CC(F)F 1458a_100000243816_100011934356 [0,2,0,0,0,0|1,0,1]=4 6103 B11R0.1 CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000188475 [0,2,0,0,0,0|1,0,1]=4 6104 B11R0.1 CCOC(=O)CC(=O)CN(C)C 269982a_100102631434_100000210311 [0,2,0,0,0,0|1,0,1]=4 6105 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,2,0,0,0,0|1,0,1]=4 6106 B11R0.1 CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000188475 [0,2,0,0,0,0|1,0,1]=4 6107 B11R0.1 CCOC(=O)CC(=O)NC(C)C 240690a_100138425928_100000243816 [0,2,0,0,0,0|1,0,1]=4 6108 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,2,0,0,0,0|0,0,1]=3 6109 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,2,0,0,0,0|0,0,0]=2 6110 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,2,0,0,0,0|0,0,0]=2 6111 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,2,0,0,0,0|0,0,0]=2 6112 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000220588_100000747473 [0,2,0,0,0,0|1,0,1]=4 6113 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000739694_100000188475 [0,2,0,0,0,0|1,0,1]=4 6114 B11R0.1 CCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000188475 [0,2,0,0,0,0|1,0,1]=4 6115 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,2,0,0,0,0|1,0,0]=3 6116 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,2,0,0,0,0|1,0,0]=3 6117 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,2,0,0,0,0|1,0,0]=3 6118 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,2,0,0,0,0|1,0,0]=3 6119 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000220588_100011218427 [0,2,0,0,0,0|1,0,0]=3 6120 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000188475 [0,2,0,0,0,0|1,0,0]=3 6121 B11R0.1 CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000188475 [0,2,0,0,0,0|1,0,0]=3 6122 B11R0.1 CCOC(=O)CN(C)CC(F)F 2230a_100000220588_100011934356 [0,2,0,0,0,0|1,0,0]=3 6123 B11R0.1 CCOC(=O)CN(C)C[C@@H](C)O 2230a_100000220588_100009817552 [0,2,0,0,0,0|1,0,0]=3 6124 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,2,0,0,0,0|0,0,0]=2 6125 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [0,2,0,0,0,0|1,0,0]=3 6126 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000036008_100000210206 [0,2,0,0,0,0|1,0,0]=3 6127 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000210206_100000036008 [0,2,0,0,0,0|1,0,0]=3 6128 B11R0.1 CCSC(C)CC(=O)CC(C)C 1458a_200011311441_100000210624 [0,2,0,0,0,0|1,0,0]=3 6129 B11R0.1 CCSC(C)CC(=O)CC(C)O 1458a_200011311441_100011218427 [0,2,0,0,0,0|1,0,0]=3 6130 B11R0.1 CCSC(C)CC(=O)CC(F)F 1458a_200011311441_100011934356 [0,2,0,0,0,0|2,0,0]=4 6131 B11R0.1 CCSC(C)CC(=O)NC(C)C 11a_100138425928_200011311441 [0,2,0,0,0,0|1,0,0]=3 6132 B11R0.1 CCSC(C)CC(=O)NC(C)C 1626a_100138425928_200011311441 [0,2,0,0,0,0|1,0,0]=3 6133 B11R0.1 CCSC(C)CC(=O)NC(C)C 240690a_100138425928_200011311441 [0,2,0,0,0,0|1,0,0]=3 6134 B11R0.1 CCSC(C)CC(=O)NC(C)C 527a_100138425928_200011311441 [0,2,0,0,0,0|1,0,0]=3 6135 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210202 [0,2,0,0,0,0|1,0,0]=3 6136 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000210202_100000067433 [0,2,0,0,0,0|1,0,0]=3 6137 B11R0.1 COCC(=O)CC(=O)OC(C)C 1458a_100000210968_100011215430 [0,2,0,0,0,0|1,0,1]=4 6138 B11R0.1 COCN(C)CC(=O)NC(C)C 2230a_100000168146_100000766300 [0,2,0,0,0,0|2,0,0]=4 6139 B11R0.1 COCN(C)CC(=O)NC(C)C 269982a_100000168146_100000766300 [0,2,0,0,0,0|2,0,0]=4 6140 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 11a_100000764878_100000210554 [0,2,0,0,0,0|2,0,0]=4 6141 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 1626a_100000764878_100000210554 [0,2,0,0,0,0|2,0,0]=4 6142 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 240690a_100000764878_100000210554 [0,2,0,0,0,0|2,0,0]=4 6143 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 527a_100000764878_100000210554 [0,2,0,0,0,0|2,0,0]=4 6144 B11R0.1 COC[C@@H](C)NC(=O)C[C@@H](C)O 240690a_100000764878_100011933948 [0,2,0,0,0,0|2,0,0]=4 6145 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 2708a_100000764878_100138425928 [0,2,0,0,0,0|2,0,0]=4 6146 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 2708a_100138425928_100000764878 [0,2,0,0,0,0|2,0,0]=4 6147 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 273464a_100138425928_100000764878 [0,2,0,0,0,0|2,0,0]=4 6148 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 512a_100000764878_100138425928 [0,2,0,0,0,0|2,0,0]=4 6149 B11R0.1 COC[C@@H](C)NC(=O)NC(C)C 512a_100138425928_100000764878 [0,2,0,0,0,0|2,0,0]=4 6150 B11R0.1 CSCC(=O)CC(=O)OC(C)C 1458a_100000184570_100011215430 [0,2,0,0,0,0|1,0,1]=4 6151 B11R0.1 CSCN(C)CC(=O)NC(C)C 2230a_100000168146_100011218213 [0,2,0,0,0,0|2,0,0]=4 6152 B11R0.1 CSCN(C)CC(=O)NC(C)C 269982a_100000168146_100011218213 [0,2,0,0,0,0|2,0,0]=4 6153 B11R0.1 C[C@H](CCO)NC(=O)C[C@@H](C)O 240690a_100000706166_100011933948 [0,2,0,0,0,0|2,0,0]=4 6154 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000243816_100000753159 [0,2,0,0,0,0|1,0,1]=4 6155 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000692101_100000188475 [0,2,0,0,0,0|1,0,1]=4 6156 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000692101_100011216630 [0,2,0,0,0,0|1,0,1]=4 6157 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000748435_100000753159 [0,2,0,0,0,0|1,0,1]=4 6158 B11R0.5 C#CCCC(=O)CC(C)SCC 1458a_200011311441_100000753159 [0,2,0,0,0,0|1,0,1]=4 6159 B11R0.5 C#CCCN(C)CC(=O)NCC 2230a_100000741943_100000688953 [0,2,0,0,0,0|2,0,0]=4 6160 B11R0.5 C#CCCN(C)CC(=O)NCC 269982a_100000741943_100000730999 [0,2,0,0,0,0|2,0,0]=4 6161 B11R0.5 C#CCCN(C)CC(=O)OCC 2230a_100000220588_100000688953 [0,2,0,0,0,0|1,0,0]=3 6162 B11R0.5 C#CCN(C)CC(=O)OCCC 2230a_100000225692_200011215008 [0,2,0,0,0,0|1,0,1]=4 6163 B11R0.5 C#CCN(C)CC(=O)OCCC 34a_100000225692_200011215008 [0,2,0,0,0,0|1,0,1]=4 6164 B11R0.5 C#CCNC(=O)CC(C)CCC 11a_100000212058_100000748435 [0,2,0,0,0,0|1,0,1]=4 6165 B11R0.5 C#CCNC(=O)CC(C)CCC 1626a_100000212058_100000748435 [0,2,0,0,0,0|1,0,1]=4 6166 B11R0.5 C#CCNC(=O)CC(C)CCC 240690a_100000212058_100000748435 [0,2,0,0,0,0|1,0,1]=4 6167 B11R0.5 C#CCNC(=O)CC(C)CCC 527a_100000212058_100000748435 [0,2,0,0,0,0|1,0,1]=4 6168 B11R0.5 C#CCNC(=O)CC(C)SCC 11a_100000212058_200011311441 [0,2,0,0,0,0|1,0,1]=4 6169 B11R0.5 C#CCNC(=O)CC(C)SCC 1626a_100000212058_200011311441 [0,2,0,0,0,0|1,0,1]=4 6170 B11R0.5 C#CCNC(=O)CC(C)SCC 240690a_100000212058_200011311441 [0,2,0,0,0,0|1,0,1]=4 6171 B11R0.5 C#CCNC(=O)CC(C)SCC 527a_100000212058_200011311441 [0,2,0,0,0,0|1,0,1]=4 6172 B11R0.5 C#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000038162 [0,2,0,0,0,0|0,0,1]=3 6173 B11R0.5 C#CCSC(C)CC(=O)OCC 62a_100000038162_100009817359 [0,2,0,0,0,0|0,0,1]=3 6174 B11R0.5 C#CCSC(C)OC(=O)OCC 62a_100000038162_100000036008 [0,2,0,0,0,0|1,0,1]=4 6175 B11R0.5 C/C=C/CC(=O)CC(=O)OCC 1458a_100000243816_100102629194 [0,2,0,0,0,0|1,0,1]=4 6176 B11R0.5 C/C=C/CC(=O)CC(C)CCC 1458a_100000748435_100102629194 [0,2,0,0,0,0|1,0,1]=4 6177 B11R0.5 C/C=C/CC(=O)CC(C)SCC 1458a_200011311441_100102629194 [0,2,0,0,0,0|1,0,1]=4 6178 B11R0.5 C/C=C/CN(C)CC(=O)NCC 269982a_100000741943_100102629194 [0,2,0,0,0,0|2,0,0]=4 6179 B11R0.5 C=C(CN(C)CCC)OCOC 269982a_100000747261_100000042856 [0,2,0,0,0,0|2,0,0]=4 6180 B11R0.5 C=C(CN(C)CCO)OCOC 269982a_100000210263_100000042856 [0,2,0,0,0,0|2,0,0]=4 6181 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [0,2,0,0,0,0|1,0,1]=4 6182 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [0,2,0,0,0,0|1,0,1]=4 6183 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000748435_100000754431 [0,2,0,0,0,0|1,0,1]=4 6184 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000749702_100011216630 [0,2,0,0,0,0|1,0,1]=4 6185 B11R0.5 C=CCCC(=O)CC(C)SCC 1458a_200011311441_100000754431 [0,2,0,0,0,0|1,0,1]=4 6186 B11R0.5 C=CCCN(C)CC(=O)CCC 2230a_100020639649_100000747444 [0,2,0,0,0,0|2,0,0]=4 6187 B11R0.5 C=CCCN(C)CC(=O)CCC 269982a_100020639649_100000747444 [0,2,0,0,0,0|2,0,0]=4 6188 B11R0.5 C=CCCN(C)CC(=O)NCC 2230a_100000741943_100000754431 [0,2,0,0,0,0|2,0,0]=4 6189 B11R0.5 C=CCCN(C)CC(=O)NCC 2230a_100020639649_100000183381 [0,2,0,0,0,0|2,0,0]=4 6190 B11R0.5 C=CCCN(C)CC(=O)NCC 269982a_100000741943_100000754431 [0,2,0,0,0,0|2,0,0]=4 6191 B11R0.5 C=CCCN(C)CC(=O)NCC 269982a_100020639649_100000183381 [0,2,0,0,0,0|2,0,0]=4 6192 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100000220588_100000754431 [0,2,0,0,0,0|1,0,0]=3 6193 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100020639649_100000188475 [0,2,0,0,0,0|1,0,0]=3 6194 B11R0.5 C=CCCN(C)CC(=O)OCC 269982a_100020639649_100000188475 [0,2,0,0,0,0|1,0,0]=3 6195 B11R0.5 C=CCN(C)CC(=O)OCCC 2230a_100000225617_200011215008 [0,2,0,0,0,0|1,0,1]=4 6196 B11R0.5 C=CCN(C)CC(=O)OCCC 269982a_100000225617_200011215008 [0,2,0,0,0,0|1,0,1]=4 6197 B11R0.5 C=CCNC(=O)CC(C)CCC 1626a_100020586998_100000748435 [0,2,0,0,0,0|1,0,1]=4 6198 B11R0.5 C=CCNC(=O)CC(C)CCC 240690a_100020586998_100000748435 [0,2,0,0,0,0|1,0,1]=4 6199 B11R0.5 C=CCNC(=O)CC(C)CCC 527a_100020586998_100000748435 [0,2,0,0,0,0|1,0,1]=4 6200 B11R0.5 C=CCNC(=O)CC(C)SCC 1626a_100020586998_200011311441 [0,2,0,0,0,0|1,0,1]=4 6201 B11R0.5 C=CCNC(=O)CC(C)SCC 240690a_100020586998_200011311441 [0,2,0,0,0,0|1,0,1]=4 6202 B11R0.5 C=CCNC(=O)CC(C)SCC 527a_100020586998_200011311441 [0,2,0,0,0,0|1,0,1]=4 6203 B11R0.5 C=CCNC(C)CC(=O)OCC 2230a_100020586998_100009817359 [0,2,0,0,0,0|0,0,1]=3 6204 B11R0.5 C=CCOC(=O)CN(C)CCC 2230a_100000747261_100000033060 [0,2,0,0,0,0|1,0,1]=4 6205 B11R0.5 C=CCOC(=O)CN(C)CCC 269982a_100000747261_100000033060 [0,2,0,0,0,0|1,0,1]=4 6206 B11R0.5 C=CCOC(=O)CN(C)CCO 2230a_100000210263_100000033060 [0,2,0,0,0,0|1,0,1]=4 6207 B11R0.5 C=CCOC(=O)CN(C)CCO 269982a_100000210263_100000033060 [0,2,0,0,0,0|1,0,1]=4 6208 B11R0.5 C=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015514636 [0,2,0,0,0,0|0,0,1]=3 6209 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100000210623_100009817359 [0,2,0,0,0,0|0,0,1]=3 6210 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100009817359_100000210623 [0,2,0,0,0,0|0,0,1]=3 6211 B11R0.5 C=CCSC(C)OC(=O)OCC 62a_100000036008_100000210623 [0,2,0,0,0,0|1,0,1]=4 6212 B11R0.5 C=CCSC(C)OC(=O)OCC 62a_100000210623_100000036008 [0,2,0,0,0,0|1,0,1]=4 6213 B11R0.5 CC#CCC(=O)CC(=O)OCC 1458a_100000243816_100000748600 [0,2,0,0,0,0|1,0,1]=4 6214 B11R0.5 CC#CCC(=O)CC(C)CCC 1458a_100000748435_100000748600 [0,2,0,0,0,0|1,0,1]=4 6215 B11R0.5 CC#CCC(=O)CC(C)SCC 1458a_200011311441_100000748600 [0,2,0,0,0,0|1,0,1]=4 6216 B11R0.5 CC#CCN(C)CC(=O)NCC 2230a_100000741943_100000748600 [0,2,0,0,0,0|2,0,0]=4 6217 B11R0.5 CC#CCN(C)CC(=O)OCC 2230a_100000220588_100000748600 [0,2,0,0,0,0|1,0,0]=3 6218 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100000243816_100000070051 [0,2,0,0,0,0|1,0,1]=4 6219 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100121576822_100000188475 [0,2,0,0,0,0|1,0,1]=4 6220 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100000748435_100000070051 [0,2,0,0,0,0|1,0,1]=4 6221 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100121576822_100011216630 [0,2,0,0,0,0|1,0,1]=4 6222 B11R0.5 CC=CCC(=O)CC(C)SCC 1458a_200011311441_100000070051 [0,2,0,0,0,0|1,0,1]=4 6223 B11R0.5 CC=CCN(C)CC(=O)NCC 2230a_100000741943_100000070051 [0,2,0,0,0,0|2,0,0]=4 6224 B11R0.5 CC=CCN(C)CC(=O)OCC 2230a_100000220588_100000070051 [0,2,0,0,0,0|1,0,0]=3 6225 B11R0.5 CCC#CC(=O)CC(=O)OCC 1458a_100011827653_100000188475 [0,2,0,0,0,0|1,0,1]=4 6226 B11R0.5 CCC#CC(=O)CC(C)CCC 1458a_100011827653_100011216630 [0,2,0,0,0,0|1,0,0]=3 6227 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [0,2,0,0,0,0|1,0,1]=4 6228 B11R0.5 CCC=CC(=O)CC(C)CCC 1458a_100000212282_100011216630 [0,2,0,0,0,0|1,0,0]=3 6229 B11R0.5 CCC=CC(=O)NC(C)CCC 11a_100000741246_100000212282 [0,2,0,0,0,0|2,0,0]=4 6230 B11R0.5 CCC=CC(=O)NC(C)CCC 1626a_100000741246_100000212282 [0,2,0,0,0,0|2,0,0]=4 6231 B11R0.5 CCC=CC(=O)NC(C)CCC 240690a_100000741246_100000212282 [0,2,0,0,0,0|2,0,0]=4 6232 B11R0.5 CCC=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000212282 [0,2,0,0,0,0|2,0,0]=4 6233 B11R0.5 CCC=CC(=O)N[C@H](C)COC 11a_100000764878_100000212282 [0,2,0,0,0,0|2,0,0]=4 6234 B11R0.5 CCC=CC(=O)N[C@H](C)COC 1626a_100000764878_100000212282 [0,2,0,0,0,0|2,0,0]=4 6235 B11R0.5 CCC=CC(=O)N[C@H](C)COC 240690a_100000764878_100000212282 [0,2,0,0,0,0|2,0,0]=4 6236 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,2,0,0,0,0|1,0,1]=4 6237 B11R0.5 CCCC(=O)CN(C)CCC#N 2230a_100000184479_100000747444 [0,2,0,0,0,0|2,0,0]=4 6238 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,2,0,0,0,0|2,0,0]=4 6239 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,2,0,0,0,0|2,0,0]=4 6240 B11R0.5 CCCC(=O)CN(C)CCOC 2230a_100000743101_100000747444 [0,2,0,0,0,0|2,0,0]=4 6241 B11R0.5 CCCC(=O)CN(C)CCOC 269982a_100000743101_100000747444 [0,2,0,0,0,0|2,0,0]=4 6242 B11R0.5 CCCC(=O)CN(C)CCSC 2230a_100000686725_100000747444 [0,2,0,0,0,0|2,0,0]=4 6243 B11R0.5 CCCC(=O)CN(C)CCSC 269982a_100000686725_100000747444 [0,2,0,0,0,0|2,0,0]=4 6244 B11R0.5 CCCC(C)CC(=O)C#CCO 1458a_100000049017_100011216630 [0,2,0,0,0,0|1,0,1]=4 6245 B11R0.5 CCCC(C)CC(=O)C=COC 1458a_100016268678_100011216630 [0,2,0,0,0,0|1,0,1]=4 6246 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100000748435_100011215226 [0,2,0,0,0,0|1,0,1]=4 6247 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100011934036_100011216630 [0,2,0,0,0,0|1,0,1]=4 6248 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,2,0,0,0,0|1,0,0]=3 6249 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,2,0,0,0,0|1,0,0]=3 6250 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [0,2,0,0,0,0|1,0,0]=3 6251 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [0,2,0,0,0,0|1,0,0]=3 6252 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [0,2,0,0,0,0|1,0,0]=3 6253 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [0,2,0,0,0,0|1,0,0]=3 6254 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,2,0,0,0,0|0,0,0]=2 6255 B11R0.5 CCCC(C)CC(=O)CSCC 1458a_100000230394_100011216630 [0,2,0,0,0,0|0,1,0]=3 6256 B11R0.5 CCCC(C)CC(=O)NCC#N 1626a_100000734998_100000748435 [0,2,0,0,0,0|1,0,1]=4 6257 B11R0.5 CCCC(C)CC(=O)NCC#N 527a_100000734998_100000748435 [0,2,0,0,0,0|1,0,1]=4 6258 B11R0.5 CCCC(C)CC(=O)NCCF 11a_100000724931_100000748435 [0,2,0,0,0,0|1,0,0]=3 6259 B11R0.5 CCCC(C)CC(=O)NCCF 1626a_100000724931_100000748435 [0,2,0,0,0,0|1,0,0]=3 6260 B11R0.5 CCCC(C)CC(=O)NCCF 240690a_100000724931_100000748435 [0,2,0,0,0,0|1,0,0]=3 6261 B11R0.5 CCCC(C)CC(=O)NCCF 527a_100000724931_100000748435 [0,2,0,0,0,0|1,0,0]=3 6262 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [0,2,0,0,0,0|1,0,0]=3 6263 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [0,2,0,0,0,0|1,0,0]=3 6264 B11R0.5 CCCC(C)CC(=O)NNCC 22a_100000756455_100000748435 [0,2,0,0,0,0|1,0,0]=3 6265 B11R0.5 CCCC(C)NC(=O)CCOC 11a_100000741246_100000749529 [0,2,0,0,0,0|2,0,0]=4 6266 B11R0.5 CCCC(C)NC(=O)CCOC 1626a_100000741246_100000749529 [0,2,0,0,0,0|2,0,0]=4 6267 B11R0.5 CCCC(C)NC(=O)CCOC 240690a_100000741246_100000749529 [0,2,0,0,0,0|2,0,0]=4 6268 B11R0.5 CCCC(C)NC(=O)CCOC 527a_100000741246_100000749529 [0,2,0,0,0,0|2,0,0]=4 6269 B11R0.5 CCCC(C)NC(=O)CCSC 11a_100000741246_100000174002 [0,2,0,0,0,0|2,0,0]=4 6270 B11R0.5 CCCC(C)NC(=O)CCSC 1626a_100000741246_100000174002 [0,2,0,0,0,0|2,0,0]=4 6271 B11R0.5 CCCC(C)NC(=O)CCSC 240690a_100000741246_100000174002 [0,2,0,0,0,0|2,0,0]=4 6272 B11R0.5 CCCC(C)NC(=O)CCSC 527a_100000741246_100000174002 [0,2,0,0,0,0|2,0,0]=4 6273 B11R0.5 CCCC(C)NC(=O)COCC 11a_100000741246_100000211967 [0,2,0,0,0,0|1,0,0]=3 6274 B11R0.5 CCCC(C)NC(=O)COCC 1626a_100000741246_100000211967 [0,2,0,0,0,0|1,0,0]=3 6275 B11R0.5 CCCC(C)NC(=O)COCC 240690a_100000741246_100000211967 [0,2,0,0,0,0|1,0,0]=3 6276 B11R0.5 CCCC(C)NC(=O)COCC 527a_100000741246_100000211967 [0,2,0,0,0,0|1,0,0]=3 6277 B11R0.5 CCCC(C)NC(=O)CSCC 11a_100000741246_100000230394 [0,2,0,0,0,0|1,1,0]=4 6278 B11R0.5 CCCC(C)NC(=O)CSCC 1626a_100000741246_100000230394 [0,2,0,0,0,0|1,1,0]=4 6279 B11R0.5 CCCC(C)NC(=O)CSCC 240690a_100000741246_100000230394 [0,2,0,0,0,0|1,1,0]=4 6280 B11R0.5 CCCC(C)NC(=O)CSCC 527a_100000741246_100000230394 [0,2,0,0,0,0|1,1,0]=4 6281 B11R0.5 CCCC(C)NC(=O)NCCF 2708a_100000741246_100000724931 [0,2,0,0,0,0|2,0,0]=4 6282 B11R0.5 CCCC(C)NC(=O)NCCF 273464a_100000741246_100000724931 [0,2,0,0,0,0|2,0,0]=4 6283 B11R0.5 CCCC(C)NC(=O)NCCF 512a_100000741246_100000724931 [0,2,0,0,0,0|2,0,0]=4 6284 B11R0.5 CCCC(C)NC(=O)NCCO 2708a_100000741246_100000210304 [0,2,0,0,0,0|2,0,0]=4 6285 B11R0.5 CCCC(C)NC(=O)NCCO 273464a_100000741246_100000210304 [0,2,0,0,0,0|2,0,0]=4 6286 B11R0.5 CCCC(C)NC(=O)NCCO 512a_100000741246_100000210304 [0,2,0,0,0,0|2,0,0]=4 6287 B11R0.5 CCCC(C)NC(=O)NNCC 273464a_100000741246_100000756455 [0,2,0,0,0,0|2,0,0]=4 6288 B11R0.5 CCCC(C)NC(=O)NNCC 512a_100000741246_100000756455 [0,2,0,0,0,0|2,0,0]=4 6289 B11R0.5 CCCC(C)NC(=O)NNCC 512a_100000756455_100000741246 [0,2,0,0,0,0|2,0,0]=4 6290 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,2,0,0,0,0|1,0,1]=4 6291 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,2,0,0,0,0|1,0,1]=4 6292 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,2,0,0,0,0|1,0,0]=3 6293 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,2,0,0,0,0|1,0,0]=3 6294 B11R0.5 CCCCC(=O)CC(C)SCC 1458a_200011311441_100000210211 [0,2,0,0,0,0|1,0,0]=3 6295 B11R0.5 CCCCC(=O)NC(C)CCC 11a_100000741246_100000210183 [0,2,0,0,0,0|2,0,0]=4 6296 B11R0.5 CCCCC(=O)NC(C)CCC 1626a_100000741246_100000210183 [0,2,0,0,0,0|2,0,0]=4 6297 B11R0.5 CCCCC(=O)NC(C)CCC 240690a_100000741246_100000210183 [0,2,0,0,0,0|2,0,0]=4 6298 B11R0.5 CCCCC(=O)NC(C)CCC 527a_100000741246_100000210183 [0,2,0,0,0,0|2,0,0]=4 6299 B11R0.5 CCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210183 [0,2,0,0,0,0|2,0,0]=4 6300 B11R0.5 CCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000210183 [0,2,0,0,0,0|2,0,0]=4 6301 B11R0.5 CCCCC(=O)N[C@H](C)COC 11a_100000764878_100000210183 [0,2,0,0,0,0|2,0,0]=4 6302 B11R0.5 CCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000210183 [0,2,0,0,0,0|2,0,0]=4 6303 B11R0.5 CCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000210183 [0,2,0,0,0,0|2,0,0]=4 6304 B11R0.5 CCCCC(=O)N[C@H](C)COC 527a_100000764878_100000210183 [0,2,0,0,0,0|2,0,0]=4 6305 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,2,0,0,0,0|2,0,0]=4 6306 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,2,0,0,0,0|2,0,0]=4 6307 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,2,0,0,0,0|2,0,0]=4 6308 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,2,0,0,0,0|2,0,0]=4 6309 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [0,2,0,0,0,0|2,0,0]=4 6310 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [0,2,0,0,0,0|2,0,0]=4 6311 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [0,2,0,0,0,0|2,0,0]=4 6312 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [0,2,0,0,0,0|2,0,0]=4 6313 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [0,2,0,0,0,0|2,0,0]=4 6314 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [0,2,0,0,0,0|2,0,0]=4 6315 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,2,0,0,0,0|2,0,0]=4 6316 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,2,0,0,0,0|2,0,0]=4 6317 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [0,2,0,0,0,0|2,0,0]=4 6318 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [0,2,0,0,0,0|2,0,0]=4 6319 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [0,2,0,0,0,0|2,0,0]=4 6320 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [0,2,0,0,0,0|2,0,0]=4 6321 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,2,0,0,0,0|1,0,0]=3 6322 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,2,0,0,0,0|1,0,0]=3 6323 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,2,0,0,0,0|1,0,0]=3 6324 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [0,2,0,0,0,0|1,0,1]=4 6325 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,2,0,0,0,0|1,0,0]=3 6326 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,2,0,0,0,0|1,0,0]=3 6327 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,2,0,0,0,0|1,0,0]=3 6328 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,2,0,0,0,0|1,0,0]=3 6329 B11R0.5 CCCNC(=O)CC(C)SCC 11a_100020643023_200011311441 [0,2,0,0,0,0|1,0,0]=3 6330 B11R0.5 CCCNC(=O)CC(C)SCC 1626a_100020643023_200011311441 [0,2,0,0,0,0|1,0,0]=3 6331 B11R0.5 CCCNC(=O)CC(C)SCC 240690a_100020643023_200011311441 [0,2,0,0,0,0|1,0,0]=3 6332 B11R0.5 CCCNC(=O)CC(C)SCC 527a_100020643023_200011311441 [0,2,0,0,0,0|1,0,0]=3 6333 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000684209_100000210303 [0,2,0,0,0,0|2,0,0]=4 6334 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000747261_100000183358 [0,2,0,0,0,0|2,0,0]=4 6335 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000684209_100000210303 [0,2,0,0,0,0|2,0,0]=4 6336 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000747261_100000183358 [0,2,0,0,0,0|2,0,0]=4 6337 B11R0.5 CCCNC(=O)CN(C)CCF 2230a_100000684209_100011217306 [0,2,0,0,0,0|2,0,0]=4 6338 B11R0.5 CCCNC(=O)CN(C)CCF 269982a_100000684209_100011217306 [0,2,0,0,0,0|2,0,0]=4 6339 B11R0.5 CCCNC(=O)CN(C)CCO 2230a_100000210263_100000183358 [0,2,0,0,0,0|2,0,0]=4 6340 B11R0.5 CCCNC(=O)CN(C)CCO 2230a_100000684209_100000211926 [0,2,0,0,0,0|2,0,0]=4 6341 B11R0.5 CCCNC(=O)CN(C)CCO 269982a_100000210263_100000183358 [0,2,0,0,0,0|2,0,0]=4 6342 B11R0.5 CCCNC(=O)CN(C)CCO 269982a_100000684209_100000211926 [0,2,0,0,0,0|2,0,0]=4 6343 B11R0.5 CCCNC(=O)CN(C)COC 2230a_100000684209_100000766300 [0,2,0,0,0,0|2,0,0]=4 6344 B11R0.5 CCCNC(=O)CN(C)COC 269982a_100000684209_100000766300 [0,2,0,0,0,0|2,0,0]=4 6345 B11R0.5 CCCNC(=O)CN(C)CSC 2230a_100000684209_100011218213 [0,2,0,0,0,0|2,0,0]=4 6346 B11R0.5 CCCNC(=O)CN(C)CSC 269982a_100000684209_100011218213 [0,2,0,0,0,0|2,0,0]=4 6347 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100000741246_100020643023 [0,2,0,0,0,0|2,0,0]=4 6348 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100020643023_100000741246 [0,2,0,0,0,0|2,0,0]=4 6349 B11R0.5 CCCNC(=O)NC(C)CCC 273464a_100000741246_100020643023 [0,2,0,0,0,0|2,0,0]=4 6350 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100000741246_100020643023 [0,2,0,0,0,0|2,0,0]=4 6351 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100020643023_100000741246 [0,2,0,0,0,0|2,0,0]=4 6352 B11R0.5 CCCNC(=O)N[C@H](C)CCO 2708a_100020643023_100000706166 [0,2,0,0,0,0|2,0,0]=4 6353 B11R0.5 CCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100020643023 [0,2,0,0,0,0|2,0,0]=4 6354 B11R0.5 CCCNC(=O)N[C@H](C)CCO 512a_100000706166_100020643023 [0,2,0,0,0,0|2,0,0]=4 6355 B11R0.5 CCCNC(=O)N[C@H](C)CCO 512a_100020643023_100000706166 [0,2,0,0,0,0|2,0,0]=4 6356 B11R0.5 CCCNC(=O)N[C@H](C)COC 2708a_100000764878_100020643023 [0,2,0,0,0,0|2,0,0]=4 6357 B11R0.5 CCCNC(=O)N[C@H](C)COC 2708a_100020643023_100000764878 [0,2,0,0,0,0|2,0,0]=4 6358 B11R0.5 CCCNC(=O)N[C@H](C)COC 273464a_100000764878_100020643023 [0,2,0,0,0,0|2,0,0]=4 6359 B11R0.5 CCCNC(=O)N[C@H](C)COC 273464a_100020643023_100000764878 [0,2,0,0,0,0|2,0,0]=4 6360 B11R0.5 CCCNC(=O)N[C@H](C)COC 512a_100000764878_100020643023 [0,2,0,0,0,0|2,0,0]=4 6361 B11R0.5 CCCNC(=O)N[C@H](C)COC 512a_100020643023_100000764878 [0,2,0,0,0,0|2,0,0]=4 6362 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,2,0,0,0,0|1,0,1]=4 6363 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [0,2,0,0,0,0|1,0,1]=4 6364 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [0,2,0,0,0,0|1,0,1]=4 6365 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [0,2,0,0,0,0|1,0,1]=4 6366 B11R0.5 CCCOC(=O)CN(C)CC#N 2230a_100000748184_200011215008 [0,2,0,0,0,0|1,0,1]=4 6367 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [0,2,0,0,0,0|1,0,0]=3 6368 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [0,2,0,0,0,0|1,0,0]=3 6369 B11R0.5 CCCOC(=O)CN(C)CCO 2230a_100000210263_200011215008 [0,2,0,0,0,0|1,0,0]=3 6370 B11R0.5 CCCOC(=O)CN(C)CCO 269982a_100000210263_200011215008 [0,2,0,0,0,0|1,0,0]=3 6371 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,2,0,0,0,0|0,0,0]=2 6372 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,2,0,0,0,0|0,0,0]=2 6373 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,2,0,0,0,0|0,0,0]=2 6374 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,2,0,0,0,0|1,0,0]=3 6375 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,2,0,0,0,0|1,0,0]=3 6376 B11R0.5 CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183381 [0,2,0,0,0,0|1,0,1]=4 6377 B11R0.5 CCNC(=O)CN(C)CCC#N 2230a_100000184479_100000183381 [0,2,0,0,0,0|2,0,0]=4 6378 B11R0.5 CCNC(=O)CN(C)CCC#N 2230a_100000741943_100011215226 [0,2,0,0,0,0|2,0,0]=4 6379 B11R0.5 CCNC(=O)CN(C)CCC#N 269982a_100000741943_100011215226 [0,2,0,0,0,0|2,0,0]=4 6380 B11R0.5 CCNC(=O)CN(C)CCCF 2230a_100000741943_100011934791 [0,2,0,0,0,0|2,0,0]=4 6381 B11R0.5 CCNC(=O)CN(C)CCCF 269982a_100000741943_100011934791 [0,2,0,0,0,0|2,0,0]=4 6382 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000213112_100000183381 [0,2,0,0,0,0|2,0,0]=4 6383 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000741943_100000230001 [0,2,0,0,0,0|2,0,0]=4 6384 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000213112_100000183381 [0,2,0,0,0,0|2,0,0]=4 6385 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000741943_100011215043 [0,2,0,0,0,0|2,0,0]=4 6386 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000741943_100011201679 [0,2,0,0,0,0|2,0,0]=4 6387 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000743101_100000183381 [0,2,0,0,0,0|2,0,0]=4 6388 B11R0.5 CCNC(=O)CN(C)CCOC 240690a_100015525214_100015184299 [0,2,0,0,0,0|2,0,0]=4 6389 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000741943_100000233755 [0,2,0,0,0,0|2,0,0]=4 6390 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000743101_100000183381 [0,2,0,0,0,0|2,0,0]=4 6391 B11R0.5 CCNC(=O)CN(C)CCOC 527a_100015525214_100015184299 [0,2,0,0,0,0|2,0,0]=4 6392 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000686725_100000183381 [0,2,0,0,0,0|2,0,0]=4 6393 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000741943_100000751147 [0,2,0,0,0,0|2,0,0]=4 6394 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000686725_100000183381 [0,2,0,0,0,0|2,0,0]=4 6395 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000741943_100000212216 [0,2,0,0,0,0|2,0,0]=4 6396 B11R0.5 CCNC(=O)CN(C)COCC 269982a_100000741943_100000739092 [0,2,0,0,0,0|2,0,0]=4 6397 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [0,2,0,0,0,0|0,0,2]=4 6398 B11R0.5 CCNNC(=O)CC(=O)OCC 22a_100000756455_100000243816 [0,2,0,0,0,0|1,0,1]=4 6399 B11R0.5 CCNNC(=O)CC(C)SCC 22a_100000756455_200011311441 [0,2,0,0,0,0|1,0,0]=3 6400 B11R0.5 CCNNC(=O)N[C@H](C)CCO 273464a_100000706166_100000756455 [0,2,0,0,0,0|2,0,0]=4 6401 B11R0.5 CCNNC(=O)N[C@H](C)CCO 512a_100000706166_100000756455 [0,2,0,0,0,0|2,0,0]=4 6402 B11R0.5 CCNNC(=O)N[C@H](C)CCO 512a_100000756455_100000706166 [0,2,0,0,0,0|2,0,0]=4 6403 B11R0.5 CCNNC(=O)N[C@H](C)COC 273464a_100000764878_100000756455 [0,2,0,0,0,0|2,0,0]=4 6404 B11R0.5 CCNNC(=O)N[C@H](C)COC 512a_100000756455_100000764878 [0,2,0,0,0,0|2,0,0]=4 6405 B11R0.5 CCNNC(=O)N[C@H](C)COC 512a_100000764878_100000756455 [0,2,0,0,0,0|2,0,0]=4 6406 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [0,2,0,0,0,0|0,0,2]=4 6407 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [0,2,0,0,0,0|0,0,2]=4 6408 B11R0.5 CCOC(=O)C=C(C)CSCF 62a_100015361967_100135422193 [0,2,0,0,0,0|0,0,2]=4 6409 B11R0.5 CCOC(=O)C=C(C)CSCF 62a_100135422193_100015361967 [0,2,0,0,0,0|0,0,2]=4 6410 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100000243816_100011215226 [0,2,0,0,0,0|1,0,1]=4 6411 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000188475 [0,2,0,0,0,0|1,0,1]=4 6412 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [0,2,0,0,0,0|1,0,1]=4 6413 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,2,0,0,0,0|1,0,1]=4 6414 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [0,2,0,0,0,0|1,0,1]=4 6415 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [0,2,0,0,0,0|1,0,1]=4 6416 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [0,2,0,0,0,0|1,0,1]=4 6417 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [0,2,0,0,0,0|1,0,1]=4 6418 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [0,2,0,0,0,0|1,0,1]=4 6419 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [0,2,0,0,0,0|1,0,1]=4 6420 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [0,2,0,0,0,0|1,0,1]=4 6421 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100000210311_100015361967 [0,2,0,0,0,0|1,0,1]=4 6422 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100015361967_100000210311 [0,2,0,0,0,0|1,0,1]=4 6423 B11R0.5 CCOC(=O)CC(=O)NCCF 240690a_100000724931_100000243816 [0,2,0,0,0,0|1,0,1]=4 6424 B11R0.5 CCOC(=O)CC(=O)NCCO 240690a_100000210304_100000243816 [0,2,0,0,0,0|1,0,1]=4 6425 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,2,0,0,0,0|0,0,0]=2 6426 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100009817359_100011215382 [0,2,0,0,0,0|0,0,1]=3 6427 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100011215382_100009817359 [0,2,0,0,0,0|0,0,1]=3 6428 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_100009817359_200015260668 [0,2,0,0,0,0|0,0,1]=3 6429 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_200015260668_100009817359 [0,2,0,0,0,0|0,0,1]=3 6430 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [0,2,0,0,0,0|0,0,0]=2 6431 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [0,2,0,0,0,0|0,0,0]=2 6432 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,2,0,0,0,0|0,0,0]=2 6433 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,2,0,0,0,0|0,0,0]=2 6434 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [0,2,0,0,0,0|0,0,0]=2 6435 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [0,2,0,0,0,0|0,0,0]=2 6436 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [0,2,0,0,0,0|0,0,0]=2 6437 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [0,2,0,0,0,0|0,0,0]=2 6438 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000184479_100000188475 [0,2,0,0,0,0|1,0,0]=3 6439 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000220588_100011215226 [0,2,0,0,0,0|1,0,0]=3 6440 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [0,2,0,0,0,0|1,0,0]=3 6441 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,2,0,0,0,0|1,0,0]=3 6442 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,2,0,0,0,0|1,0,0]=3 6443 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,2,0,0,0,0|1,0,0]=3 6444 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [0,2,0,0,0,0|1,0,0]=3 6445 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [0,2,0,0,0,0|1,0,0]=3 6446 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [0,2,0,0,0,0|1,0,0]=3 6447 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [0,2,0,0,0,0|1,0,0]=3 6448 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [0,2,0,0,0,0|1,0,0]=3 6449 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [0,2,0,0,0,0|1,0,0]=3 6450 B11R0.5 CCOC(=O)C[C@@H](C)OCC#N 7a_100009816390_100011215382 [0,2,0,0,0,0|0,0,1]=3 6451 B11R0.5 CCOC(=O)C[C@@H](C)OCC=O 7a_100009816390_200015260668 [0,2,0,0,0,0|0,0,1]=3 6452 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [0,2,0,0,0,0|0,0,0]=2 6453 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,2,0,0,0,0|0,0,0]=2 6454 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,2,0,0,0,0|1,0,0]=3 6455 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,2,0,0,0,0|1,0,0]=3 6456 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [0,2,0,0,0,0|1,0,0]=3 6457 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [0,2,0,0,0,0|1,0,0]=3 6458 B11R0.5 CCOC(=O)OC(C)SCC#N 62a_100000036008_100011215382 [0,2,0,0,0,0|1,0,1]=4 6459 B11R0.5 CCOC(=O)OC(C)SCC#N 62a_100011215382_100000036008 [0,2,0,0,0,0|1,0,1]=4 6460 B11R0.5 CCOC(=O)OC(C)SCC=O 62a_100000036008_200015260668 [0,2,0,0,0,0|1,0,1]=4 6461 B11R0.5 CCOC(=O)OC(C)SCC=O 62a_200015260668_100000036008 [0,2,0,0,0,0|1,0,1]=4 6462 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100000036008_100011217306 [0,2,0,0,0,0|1,0,0]=3 6463 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100011217306_100000036008 [0,2,0,0,0,0|1,0,0]=3 6464 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000036008_100000211926 [0,2,0,0,0,0|1,0,0]=3 6465 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000211926_100000036008 [0,2,0,0,0,0|1,0,0]=3 6466 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000036008_100000766300 [0,2,0,0,0,0|1,0,0]=3 6467 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000766300_100000036008 [0,2,0,0,0,0|1,0,0]=3 6468 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100000036008_100011218213 [0,2,0,0,0,0|1,0,0]=3 6469 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100011218213_100000036008 [0,2,0,0,0,0|1,0,0]=3 6470 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [0,2,0,0,0,0|0,0,2]=4 6471 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [0,2,0,0,0,0|1,0,1]=4 6472 B11R0.5 CCOCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000211967 [0,2,0,0,0,0|1,0,1]=4 6473 B11R0.5 CCOCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000211967 [0,2,0,0,0,0|1,0,1]=4 6474 B11R0.5 CCOCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000211967 [0,2,0,0,0,0|1,0,1]=4 6475 B11R0.5 CCOCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000211967 [0,2,0,0,0,0|1,0,1]=4 6476 B11R0.5 CCOCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211967 [0,2,0,0,0,0|1,0,0]=3 6477 B11R0.5 CCOCC(=O)N[C@H](C)CCO 527a_100000706166_100000211967 [0,2,0,0,0,0|1,0,0]=3 6478 B11R0.5 CCOCC(=O)N[C@H](C)COC 11a_100000764878_100000211967 [0,2,0,0,0,0|1,0,0]=3 6479 B11R0.5 CCOCC(=O)N[C@H](C)COC 1626a_100000764878_100000211967 [0,2,0,0,0,0|1,0,0]=3 6480 B11R0.5 CCOCC(=O)N[C@H](C)COC 240690a_100000764878_100000211967 [0,2,0,0,0,0|1,0,0]=3 6481 B11R0.5 CCOCC(=O)N[C@H](C)COC 527a_100000764878_100000211967 [0,2,0,0,0,0|1,0,0]=3 6482 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,2,0,0,0,0|1,0,0]=3 6483 B11R0.5 CCSC(C)CC(=O)CCC#N 1458a_200011311441_100011215226 [0,2,0,0,0,0|1,0,1]=4 6484 B11R0.5 CCSC(C)CC(=O)CCCF 1458a_200011311441_100011934791 [0,2,0,0,0,0|1,0,0]=3 6485 B11R0.5 CCSC(C)CC(=O)CCCO 1458a_200011311441_100011215043 [0,2,0,0,0,0|1,0,0]=3 6486 B11R0.5 CCSC(C)CC(=O)CCOC 1458a_200011311441_100000233755 [0,2,0,0,0,0|1,0,0]=3 6487 B11R0.5 CCSC(C)CC(=O)CCSC 1458a_200011311441_100000751147 [0,2,0,0,0,0|1,0,0]=3 6488 B11R0.5 CCSC(C)CC(=O)NCC#N 1626a_100000734998_200011311441 [0,2,0,0,0,0|1,0,1]=4 6489 B11R0.5 CCSC(C)CC(=O)NCC#N 527a_100000734998_200011311441 [0,2,0,0,0,0|1,0,1]=4 6490 B11R0.5 CCSC(C)CC(=O)NCCF 11a_100000724931_200011311441 [0,2,0,0,0,0|1,0,0]=3 6491 B11R0.5 CCSC(C)CC(=O)NCCF 1626a_100000724931_200011311441 [0,2,0,0,0,0|1,0,0]=3 6492 B11R0.5 CCSC(C)CC(=O)NCCF 240690a_100000724931_200011311441 [0,2,0,0,0,0|1,0,0]=3 6493 B11R0.5 CCSC(C)CC(=O)NCCF 527a_100000724931_200011311441 [0,2,0,0,0,0|1,0,0]=3 6494 B11R0.5 CCSC(C)CC(=O)NCCO 240690a_100000210304_200011311441 [0,2,0,0,0,0|1,0,0]=3 6495 B11R0.5 CCSC(C)CC(=O)NCCO 527a_100000210304_200011311441 [0,2,0,0,0,0|1,0,0]=3 6496 B11R0.5 CCSCC(=O)N[C@H](C)CCO 240690a_100000706166_100000230394 [0,2,0,0,0,0|1,1,0]=4 6497 B11R0.5 CCSCC(=O)N[C@H](C)CCO 527a_100000706166_100000230394 [0,2,0,0,0,0|1,1,0]=4 6498 B11R0.5 CCSCC(=O)N[C@H](C)COC 11a_100000764878_100000230394 [0,2,0,0,0,0|1,1,0]=4 6499 B11R0.5 CCSCC(=O)N[C@H](C)COC 1626a_100000764878_100000230394 [0,2,0,0,0,0|1,1,0]=4 6500 B11R0.5 CCSCC(=O)N[C@H](C)COC 240690a_100000764878_100000230394 [0,2,0,0,0,0|1,1,0]=4 6501 B11R0.5 CCSCC(=O)N[C@H](C)COC 527a_100000764878_100000230394 [0,2,0,0,0,0|1,1,0]=4 6502 B11R0.5 COCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000749529 [0,2,0,0,0,0|2,0,0]=4 6503 B11R0.5 COCCC(=O)N[C@H](C)CCO 527a_100000706166_100000749529 [0,2,0,0,0,0|2,0,0]=4 6504 B11R0.5 COCCC(=O)N[C@H](C)COC 11a_100000764878_100000749529 [0,2,0,0,0,0|2,0,0]=4 6505 B11R0.5 COCCC(=O)N[C@H](C)COC 1626a_100000764878_100000749529 [0,2,0,0,0,0|2,0,0]=4 6506 B11R0.5 COCCC(=O)N[C@H](C)COC 240690a_100000764878_100000749529 [0,2,0,0,0,0|2,0,0]=4 6507 B11R0.5 COCCC(=O)N[C@H](C)COC 527a_100000764878_100000749529 [0,2,0,0,0,0|2,0,0]=4 6508 B11R0.5 COC[C@@H](C)NC(=O)CCSC 11a_100000764878_100000174002 [0,2,0,0,0,0|2,0,0]=4 6509 B11R0.5 COC[C@@H](C)NC(=O)CCSC 1626a_100000764878_100000174002 [0,2,0,0,0,0|2,0,0]=4 6510 B11R0.5 COC[C@@H](C)NC(=O)CCSC 240690a_100000764878_100000174002 [0,2,0,0,0,0|2,0,0]=4 6511 B11R0.5 COC[C@@H](C)NC(=O)CCSC 527a_100000764878_100000174002 [0,2,0,0,0,0|2,0,0]=4 6512 B11R0.5 COC[C@@H](C)NC(=O)NCCF 2708a_100000764878_100000724931 [0,2,0,0,0,0|2,0,0]=4 6513 B11R0.5 COC[C@@H](C)NC(=O)NCCF 273464a_100000724931_100000764878 [0,2,0,0,0,0|2,0,0]=4 6514 B11R0.5 COC[C@@H](C)NC(=O)NCCF 273464a_100000764878_100000724931 [0,2,0,0,0,0|2,0,0]=4 6515 B11R0.5 COC[C@@H](C)NC(=O)NCCF 512a_100000764878_100000724931 [0,2,0,0,0,0|2,0,0]=4 6516 B11R0.5 COC[C@@H](C)NC(=O)NCCO 2708a_100000764878_100000210304 [0,2,0,0,0,0|2,0,0]=4 6517 B11R0.5 COC[C@@H](C)NC(=O)NCCO 273464a_100000210304_100000764878 [0,2,0,0,0,0|2,0,0]=4 6518 B11R0.5 COC[C@@H](C)NC(=O)NCCO 273464a_100000764878_100000210304 [0,2,0,0,0,0|2,0,0]=4 6519 B11R0.5 COC[C@@H](C)NC(=O)NCCO 512a_100000764878_100000210304 [0,2,0,0,0,0|2,0,0]=4 6520 B11R0.5 CSCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000174002 [0,2,0,0,0,0|2,0,0]=4 6521 B11R0.5 CSCCC(=O)N[C@H](C)CCO 527a_100000706166_100000174002 [0,2,0,0,0,0|2,0,0]=4 6522 B11R0.5 C[C@H](CCO)NC(=O)NCCF 273464a_100000706166_100000724931 [0,2,0,0,0,0|2,0,0]=4 6523 B11R0.5 C[C@H](CCO)NC(=O)NCCF 512a_100000706166_100000724931 [0,2,0,0,0,0|2,0,0]=4 6524 B11R0.5 C[C@H](CCO)NC(=O)NCCO 273464a_100000706166_100000210304 [0,2,0,0,0,0|2,0,0]=4 6525 B11R0.5 C[C@H](CCO)NC(=O)NCCO 512a_100000706166_100000210304 [0,2,0,0,0,0|2,0,0]=4 6526 B11R0.177 C#CCN(C)C(C)C(=O)OCC 2230a_100000225692_100011215307 [0,2,0,0,0,0|1,0,1]=4 6527 B11R0.177 C#CCN(C)C(C)C(=O)OCC 34a_100000225692_100011216346 [0,2,0,0,0,0|1,0,1]=4 6528 B11R0.177 C#CCN(C)C(F)C(=O)OCC 2230a_100000225692_100000760018 [0,2,0,0,0,0|1,0,1]=4 6529 B11R0.177 C#CCN(C)C(F)C(=O)OCC 34a_100000225692_100000760018 [0,2,0,0,0,0|1,0,1]=4 6530 B11R0.177 C=CCN(C)C(C)C(=O)OCC 2230a_100000225617_100011215307 [0,2,0,0,0,0|1,0,1]=4 6531 B11R0.177 C=CCN(C)C(C)C(=O)OCC 269982a_100000225617_100011216346 [0,2,0,0,0,0|1,0,1]=4 6532 B11R0.177 C=CCN(C)C(F)C(=O)OCC 2230a_100000225617_100000760018 [0,2,0,0,0,0|1,0,1]=4 6533 B11R0.177 C=CCN(C)C(F)C(=O)OCC 269982a_100000225617_100000760018 [0,2,0,0,0,0|1,0,1]=4 6534 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [0,2,0,0,0,0|1,0,1]=4 6535 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [0,2,0,0,0,0|1,0,1]=4 6536 B11R0.177 CCCC(=O)C(F)C(=O)OCC 1458a_100000211992_100000760018 [0,2,0,0,0,0|1,0,1]=4 6537 B11R0.177 CCCC(=O)N(C)C(C)CCO 240690a_100000731037_100000211992 [0,2,0,0,0,0|2,0,0]=4 6538 B11R0.177 CCCC(=O)N(C)C(C)CCO 527a_100000731037_100000211992 [0,2,0,0,0,0|2,0,0]=4 6539 B11R0.177 CCCC(C)C(=O)C(=O)NCC 1458a_200011297158_100000766640 [0,2,0,0,0,0|1,0,1]=4 6540 B11R0.177 CCCN(C)C(=O)C(=O)OCC 11a_100000747261_100014798877 [0,2,0,0,0,0|1,0,1]=4 6541 B11R0.177 CCCN(C)C(=O)C(=O)OCC 1626a_100000747261_100014798877 [0,2,0,0,0,0|1,0,1]=4 6542 B11R0.177 CCCN(C)C(=O)C(=O)OCC 240690a_100000747261_100014798877 [0,2,0,0,0,0|1,0,1]=4 6543 B11R0.177 CCCN(C)C(C)C(=O)NCC 2230a_100000747261_100000230173 [0,2,0,0,0,0|2,0,0]=4 6544 B11R0.177 CCCN(C)C(C)C(=O)NCC 269982a_100000747261_100000230173 [0,2,0,0,0,0|2,0,0]=4 6545 B11R0.177 CCCN(C)C(C)C(=O)OCC 2230a_100000747261_100011215307 [0,2,0,0,0,0|1,0,0]=3 6546 B11R0.177 CCCN(C)C(C)C(=O)OCC 269982a_100000747261_100011216346 [0,2,0,0,0,0|1,0,0]=3 6547 B11R0.177 CCCN(C)C(F)C(=O)OCC 2230a_100000747261_100000760018 [0,2,0,0,0,0|1,0,0]=3 6548 B11R0.177 CCCN(C)C(F)C(=O)OCC 269982a_100000747261_100000760018 [0,2,0,0,0,0|1,0,0]=3 6549 B11R0.177 CCNC(=O)C(=O)C(C)CCO 1458a_200011297158_100009893172 [0,2,0,0,0,0|1,0,1]=4 6550 B11R0.177 CCNC(=O)C(=O)C(C)COC 1458a_200011297158_100000765312 [0,2,0,0,0,0|1,0,1]=4 6551 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [0,2,0,0,0,0|1,0,1]=4 6552 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [0,2,0,0,0,0|1,0,1]=4 6553 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [0,2,0,0,0,0|1,0,1]=4 6554 B11R0.177 CCNC(=O)C(C)N(C)CCO 2230a_100000210263_100000230173 [0,2,0,0,0,0|2,0,0]=4 6555 B11R0.177 CCNC(=O)C(C)N(C)CCO 269982a_100000210263_100000230173 [0,2,0,0,0,0|2,0,0]=4 6556 B11R0.177 CCNC(=O)N(C)C(C)CCO 2708a_100015525214_100000731037 [0,2,0,0,0,0|2,0,0]=4 6557 B11R0.177 CCNC(C)C(=O)C(=O)OCC 2230a_100015525214_100010256902 [0,2,0,0,0,0|0,0,1]=3 6558 B11R0.177 CCOC(=O)C(=O)C(C)SCC 62a_100000210202_100010256902 [0,2,0,0,0,0|0,0,1]=3 6559 B11R0.177 CCOC(=O)C(=O)C(C)SCC 62a_100010256902_100000210202 [0,2,0,0,0,0|0,0,1]=3 6560 B11R0.177 CCOC(=O)C(=O)C(C)SCF 62a_100010256902_100015361967 [0,2,0,0,0,0|1,0,1]=4 6561 B11R0.177 CCOC(=O)C(=O)C(C)SCF 62a_100015361967_100010256902 [0,2,0,0,0,0|1,0,1]=4 6562 B11R0.177 CCOC(=O)C(=O)N(C)CCO 240690a_100000210263_100014798877 [0,2,0,0,0,0|1,0,1]=4 6563 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [0,2,0,0,0,0|1,0,1]=4 6564 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [0,2,0,0,0,0|1,0,1]=4 6565 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [0,2,0,0,0,0|1,0,1]=4 6566 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [0,2,0,0,0,0|1,0,1]=4 6567 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [0,2,0,0,0,0|1,0,1]=4 6568 B11R0.177 CCOC(=O)C(C)N(C)CC#N 2230a_100000748184_100011215307 [0,2,0,0,0,0|1,0,1]=4 6569 B11R0.177 CCOC(=O)C(C)N(C)CCO 2230a_100000210263_100011215307 [0,2,0,0,0,0|1,0,0]=3 6570 B11R0.177 CCOC(=O)C(C)N(C)CCO 269982a_100000210263_100011216346 [0,2,0,0,0,0|1,0,0]=3 6571 B11R0.177 CCOC(=O)C(F)C(=O)CCO 1458a_100011216618_100000760018 [0,2,0,0,0,0|1,0,1]=4 6572 B11R0.177 CCOC(=O)C(F)C(=O)COC 1458a_100000210968_100000760018 [0,2,0,0,0,0|1,0,1]=4 6573 B11R0.177 CCOC(=O)C(F)C(=O)CSC 1458a_100000184570_100000760018 [0,2,0,0,0,0|1,0,1]=4 6574 B11R0.177 CCOC(=O)C(F)N(C)CC#N 2230a_100000748184_100000760018 [0,2,0,0,0,0|1,0,1]=4 6575 B11R0.177 CCOC(=O)C(F)N(C)CCO 2230a_100000210263_100000760018 [0,2,0,0,0,0|1,0,0]=3 6576 B11R0.177 CCOC(=O)C(F)N(C)CCO 269982a_100000210263_100000760018 [0,2,0,0,0,0|1,0,0]=3 6577 B11R0.182 C#CCN(CC)CC(=O)CCC 2230a_100000744766_100000747444 [0,2,0,0,0,0|2,0,0]=4 6578 B11R0.182 C#CCN(CC)CC(=O)CCC 269982a_100000744766_100000747444 [0,2,0,0,0,0|2,0,0]=4 6579 B11R0.182 C#CCN(CC)CC(=O)NCC 2230a_100000744766_100000183381 [0,2,0,0,0,0|2,0,0]=4 6580 B11R0.182 C#CCN(CC)CC(=O)NCC 269982a_100000744766_100000183381 [0,2,0,0,0,0|2,0,0]=4 6581 B11R0.182 C#CCN(CC)CC(=O)OCC 2230a_100000220607_100000038162 [0,2,0,0,0,0|1,0,0]=3 6582 B11R0.182 C#CCN(CC)CC(=O)OCC 2230a_100000744766_100000188475 [0,2,0,0,0,0|1,0,0]=3 6583 B11R0.182 C#CCN(CC)CC(=O)OCC 269982a_100000744766_100000188475 [0,2,0,0,0,0|1,0,0]=3 6584 B11R0.182 C=CCN(CC)CC(=O)OCC 2230a_100000220607_100000210623 [0,2,0,0,0,0|1,0,0]=3 6585 B11R0.182 C=CCN(CC)CC(=O)OCC 269982a_100000220607_100000210623 [0,2,0,0,0,0|1,0,0]=3 6586 B11R0.182 CCCC(=O)CN(CC)CCC 2230a_100000226822_100000747444 [0,2,0,0,0,0|2,0,0]=4 6587 B11R0.182 CCCC(=O)CN(CC)CCC 269982a_100000226822_100000747444 [0,2,0,0,0,0|2,0,0]=4 6588 B11R0.182 CCCC(=O)CN(CC)CCO 2230a_100000210973_100000747444 [0,2,0,0,0,0|2,0,0]=4 6589 B11R0.182 CCCC(=O)CN(CC)CCO 269982a_100000210973_100000747444 [0,2,0,0,0,0|2,0,0]=4 6590 B11R0.182 CCCC(=O)NC(CC)CCC 11a_100000747048_100000211992 [0,2,0,0,0,0|2,0,0]=4 6591 B11R0.182 CCCC(=O)NC(CC)CCC 1626a_100000747048_100000211992 [0,2,0,0,0,0|2,0,0]=4 6592 B11R0.182 CCCC(=O)NC(CC)CCC 240690a_100000747048_100000211992 [0,2,0,0,0,0|2,0,0]=4 6593 B11R0.182 CCCC(=O)NC(CC)CCC 527a_100000747048_100000211992 [0,2,0,0,0,0|2,0,0]=4 6594 B11R0.182 CCCC(=O)NC(CC)COC 11a_100000757820_100000211992 [0,2,0,0,0,0|2,0,0]=4 6595 B11R0.182 CCCC(=O)NC(CC)COC 1626a_100000757820_100000211992 [0,2,0,0,0,0|2,0,0]=4 6596 B11R0.182 CCCC(=O)NC(CC)COC 240690a_100000757820_100000211992 [0,2,0,0,0,0|2,0,0]=4 6597 B11R0.182 CCCC(=O)NC(CC)COC 527a_100000757820_100000211992 [0,2,0,0,0,0|2,0,0]=4 6598 B11R0.182 CCCC(=O)NC(CO)COC 240690a_100000724102_100000211992 [0,2,0,0,0,0|2,0,0]=4 6599 B11R0.182 CCCC(=O)NC(CO)COC 527a_100000724102_100000211992 [0,2,0,0,0,0|2,0,0]=4 6600 B11R0.182 CCCC(=O)N[C@H](CC)CC#N 11a_200009818565_100000211992 [0,2,0,0,0,0|2,0,0]=4 6601 B11R0.182 CCCC(=O)N[C@H](CC)CC#N 1626a_200009818565_100000211992 [0,2,0,0,0,0|2,0,0]=4 6602 B11R0.182 CCCC(=O)N[C@H](CC)CC#N 240690a_200009818565_100000211992 [0,2,0,0,0,0|2,0,0]=4 6603 B11R0.182 CCCC(=O)N[C@H](CC)CC#N 527a_200009818565_100000211992 [0,2,0,0,0,0|2,0,0]=4 6604 B11R0.182 CCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000211992 [0,2,0,0,0,0|2,0,0]=4 6605 B11R0.182 CCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000211992 [0,2,0,0,0,0|2,0,0]=4 6606 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [0,2,0,0,0,0|0,0,0]=2 6607 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [0,2,0,0,0,0|0,0,0]=2 6608 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100000747048_100015525214 [0,2,0,0,0,0|2,0,0]=4 6609 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100015525214_100000747048 [0,2,0,0,0,0|2,0,0]=4 6610 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100000747048_100015525214 [0,2,0,0,0,0|2,0,0]=4 6611 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100015525214_100000747048 [0,2,0,0,0,0|2,0,0]=4 6612 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100000747048_100015525214 [0,2,0,0,0,0|2,0,0]=4 6613 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100015525214_100000747048 [0,2,0,0,0,0|2,0,0]=4 6614 B11R0.182 CCCN(CC)CC(=O)NCC 2230a_100000226822_100000183381 [0,2,0,0,0,0|2,0,0]=4 6615 B11R0.182 CCCN(CC)CC(=O)NCC 269982a_100000226822_100000183381 [0,2,0,0,0,0|2,0,0]=4 6616 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000220607_100000210303 [0,2,0,0,0,0|1,0,0]=3 6617 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000221057_100000210202 [0,2,0,0,0,0|1,0,0]=3 6618 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000226822_100000188475 [0,2,0,0,0,0|1,0,0]=3 6619 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000220607_100000210303 [0,2,0,0,0,0|1,0,0]=3 6620 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000221057_100000204670 [0,2,0,0,0,0|1,0,0]=3 6621 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000226822_100000188475 [0,2,0,0,0,0|1,0,0]=3 6622 B11R0.182 CCCN(CF)CC(=O)OCC 269982a_100000221057_100015361967 [0,2,0,0,0,0|1,0,0]=3 6623 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100000732646 [0,2,0,0,0,0|2,0,0]=4 6624 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100000732646_100015525214 [0,2,0,0,0,0|2,0,0]=4 6625 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100000732646 [0,2,0,0,0,0|2,0,0]=4 6626 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100000732646_100015525214 [0,2,0,0,0,0|2,0,0]=4 6627 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100000732646 [0,2,0,0,0,0|2,0,0]=4 6628 B11R0.182 CCNC(=O)CN(CC)CCO 2230a_100000210973_100000183381 [0,2,0,0,0,0|2,0,0]=4 6629 B11R0.182 CCNC(=O)CN(CC)CCO 269982a_100000210973_100000183381 [0,2,0,0,0,0|2,0,0]=4 6630 B11R0.182 CCNC(=O)NC(CC)COC 2708a_100000757820_100015525214 [0,2,0,0,0,0|2,0,0]=4 6631 B11R0.182 CCNC(=O)NC(CC)COC 2708a_100015525214_100000757820 [0,2,0,0,0,0|2,0,0]=4 6632 B11R0.182 CCNC(=O)NC(CC)COC 273464a_100000757820_100015525214 [0,2,0,0,0,0|2,0,0]=4 6633 B11R0.182 CCNC(=O)NC(CC)COC 273464a_100015525214_100000757820 [0,2,0,0,0,0|2,0,0]=4 6634 B11R0.182 CCNC(=O)NC(CC)COC 512a_100000757820_100015525214 [0,2,0,0,0,0|2,0,0]=4 6635 B11R0.182 CCNC(=O)NC(CC)COC 512a_100015525214_100000757820 [0,2,0,0,0,0|2,0,0]=4 6636 B11R0.182 CCNC(=O)NC(CO)COC 2708a_100015525214_100000724102 [0,2,0,0,0,0|2,0,0]=4 6637 B11R0.182 CCNC(=O)NC(CO)COC 273464a_100000724102_100015525214 [0,2,0,0,0,0|2,0,0]=4 6638 B11R0.182 CCNC(=O)NC(CO)COC 273464a_100015525214_100000724102 [0,2,0,0,0,0|2,0,0]=4 6639 B11R0.182 CCNC(=O)NC(CO)COC 512a_100015525214_100000724102 [0,2,0,0,0,0|2,0,0]=4 6640 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 2708a_100015525214_200009818565 [0,2,0,0,0,0|2,0,0]=4 6641 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 2708a_200009818565_100015525214 [0,2,0,0,0,0|2,0,0]=4 6642 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 273464a_100015525214_200009818565 [0,2,0,0,0,0|2,0,0]=4 6643 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 273464a_200009818565_100015525214 [0,2,0,0,0,0|2,0,0]=4 6644 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 512a_100015525214_200009818565 [0,2,0,0,0,0|2,0,0]=4 6645 B11R0.182 CCNC(=O)N[C@H](CC)CC#N 512a_200009818565_100015525214 [0,2,0,0,0,0|2,0,0]=4 6646 B11R0.182 CCOC(=O)CN(CC)CC#N 2230a_100000220607_100011215382 [0,2,0,0,0,0|1,0,0]=3 6647 B11R0.182 CCOC(=O)CN(CC)CC#N 269982a_100000220607_100011214920 [0,2,0,0,0,0|1,0,0]=3 6648 B11R0.182 CCOC(=O)CN(CC)CC=O 2230a_100000220607_200015260668 [0,2,0,0,0,0|1,0,0]=3 6649 B11R0.182 CCOC(=O)CN(CC)CC=O 269982a_100000220607_200015260668 [0,2,0,0,0,0|1,0,0]=3 6650 B11R0.182 CCOC(=O)CN(CC)CCF 2230a_100000220607_100011217306 [0,2,0,0,0,0|1,0,0]=3 6651 B11R0.182 CCOC(=O)CN(CC)CCF 269982a_100000220607_100011217306 [0,2,0,0,0,0|1,0,0]=3 6652 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000210973_100000188475 [0,2,0,0,0,0|1,0,0]=3 6653 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000220607_100000211926 [0,2,0,0,0,0|1,0,0]=3 6654 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000210973_100000188475 [0,2,0,0,0,0|1,0,0]=3 6655 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000220607_100000211926 [0,2,0,0,0,0|1,0,0]=3 6656 B11R0.182 CCOC(=O)CN(CC)COC 2230a_100000220607_100000766300 [0,2,0,0,0,0|1,0,0]=3 6657 B11R0.182 CCOC(=O)CN(CC)COC 269982a_100000220607_100000766300 [0,2,0,0,0,0|1,0,0]=3 6658 B11R0.182 CCOC(=O)CN(CC)CSC 2230a_100000220607_100011218213 [0,2,0,0,0,0|1,0,0]=3 6659 B11R0.182 CCOC(=O)CN(CC)CSC 269982a_100000220607_100011218213 [0,2,0,0,0,0|1,0,0]=3 6660 B11R0.182 CCOC(=O)C[C@@H](CCl)OCC 7a_100000688340_100000210202 [0,2,0,0,0,0|0,0,0]=2 6661 B11R0.182 CCOC(=O)C[C@@H](CCl)OCF 7a_100000688340_100015361967 [0,2,0,0,0,0|1,0,0]=3 6662 B11R0.353 CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210303 [0,2,0,0,0,0|1,0,0]=3 6663 B11R0.353 CCCC(=O)C[Si](C)(C)OCC 1458a_100000211992_200000065227 [0,2,0,0,0,0|1,1,0]=4 6664 B11R0.353 CCCC(=O)NC(C)(C)CCO 240690a_100000763138_100000211992 [0,2,0,0,0,0|2,0,0]=4 6665 B11R0.353 CCCC(=O)NC(C)(C)CCO 527a_100000763138_100000211992 [0,2,0,0,0,0|2,0,0]=4 6666 B11R0.353 CCCC(=O)NC(C)(C)COC 11a_100000752728_100000211992 [0,2,0,0,0,0|2,0,0]=4 6667 B11R0.353 CCCC(=O)NC(C)(C)COC 1626a_100000752728_100000211992 [0,2,0,0,0,0|2,0,0]=4 6668 B11R0.353 CCCC(=O)NC(C)(C)COC 240690a_100000752728_100000211992 [0,2,0,0,0,0|2,0,0]=4 6669 B11R0.353 CCCC(=O)NC(C)(C)COC 527a_100000752728_100000211992 [0,2,0,0,0,0|2,0,0]=4 6670 B11R0.353 CCCC(=O)NC(C)(C)CSC 11a_100000759623_100000211992 [0,2,0,0,0,0|2,0,0]=4 6671 B11R0.353 CCCC(=O)NC(C)(C)CSC 1626a_100000759623_100000211992 [0,2,0,0,0,0|2,0,0]=4 6672 B11R0.353 CCCC(=O)NC(C)(C)CSC 240690a_100000759623_100000211992 [0,2,0,0,0,0|2,0,0]=4 6673 B11R0.353 CCCC(=O)NC(C)(C)CSC 527a_100000759623_100000211992 [0,2,0,0,0,0|2,0,0]=4 6674 B11R0.353 CCCC(C)(O)CC(=O)CCF 1458a_100011667670_100011217306 [0,2,0,0,0,0|2,0,0]=4 6675 B11R0.353 CCCC(C)(O)CC(=O)CCO 1458a_100011667670_100000211926 [0,2,0,0,0,0|2,0,0]=4 6676 B11R0.353 CCCC(C)(O)CC(=O)NCC 240690a_100015525214_100011667670 [0,2,0,0,0,0|1,0,0]=3 6677 B11R0.353 CCCC(C)(O)CC(=O)NCC 527a_100015525214_100011667670 [0,2,0,0,0,0|1,0,0]=3 6678 B11R0.353 CCCC(C)(O)CC(=O)NNC 22a_100016993582_100011667670 [0,2,0,0,0,0|2,0,0]=4 6679 B11R0.353 CCNC(=O)NC(C)(C)CCO 2708a_100015525214_100000763138 [0,2,0,0,0,0|2,0,0]=4 6680 B11R0.353 CCNC(=O)NC(C)(C)CCO 273464a_100000763138_100015525214 [0,2,0,0,0,0|2,0,0]=4 6681 B11R0.353 CCNC(=O)NC(C)(C)CCO 273464a_100015525214_100000763138 [0,2,0,0,0,0|2,0,0]=4 6682 B11R0.353 CCNC(=O)NC(C)(C)CCO 512a_100000763138_100015525214 [0,2,0,0,0,0|2,0,0]=4 6683 B11R0.353 CCNC(=O)NC(C)(C)COC 2708a_100015525214_100000752728 [0,2,0,0,0,0|2,0,0]=4 6684 B11R0.353 CCNC(=O)NC(C)(C)COC 273464a_100000752728_100015525214 [0,2,0,0,0,0|2,0,0]=4 6685 B11R0.353 CCNC(=O)NC(C)(C)COC 273464a_100015525214_100000752728 [0,2,0,0,0,0|2,0,0]=4 6686 B11R0.353 CCNC(=O)NC(C)(C)COC 512a_100000752728_100015525214 [0,2,0,0,0,0|2,0,0]=4 6687 B11R0.353 CCNC(=O)NC(C)(C)COC 512a_100015525214_100000752728 [0,2,0,0,0,0|2,0,0]=4 6688 B11R0.353 CCNC(=O)NC(C)(C)CSC 2708a_100015525214_100000759623 [0,2,0,0,0,0|2,0,0]=4 6689 B11R0.353 CCNC(=O)NC(C)(C)CSC 273464a_100000759623_100015525214 [0,2,0,0,0,0|2,0,0]=4 6690 B11R0.353 CCNC(=O)NC(C)(C)CSC 273464a_100015525214_100000759623 [0,2,0,0,0,0|2,0,0]=4 6691 B11R0.353 CCNC(=O)NC(C)(C)CSC 512a_100000759623_100015525214 [0,2,0,0,0,0|2,0,0]=4 6692 B11R0.353 CCNC(=O)NC(C)(C)CSC 512a_100015525214_100000759623 [0,2,0,0,0,0|2,0,0]=4 6693 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 270084a_100015525214_100000738689 [0,2,0,0,0,0|2,0,0]=4 6694 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 274078a_100015525214_100000738689 [0,2,0,0,0,0|2,0,0]=4 6695 B11R0.353 CCOC(=O)CC(C)(C)OCC 7a_100000765344_100000210202 [0,2,0,0,0,0|0,0,0]=2 6696 B11R0.353 CCOC(=O)CC(C)(C)OCF 7a_100000765344_100015361967 [0,2,0,0,0,0|1,0,0]=3 6697 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 11a_200160471154_100000211992 [0,2,0,0,0,0|2,0,0]=4 6698 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 1626a_200160471154_100000211992 [0,2,0,0,0,0|2,0,0]=4 6699 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 240690a_200160471154_100000211992 [0,2,0,0,0,0|2,0,0]=4 6700 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 527a_200160471154_100000211992 [0,2,0,0,0,0|2,0,0]=4 6701 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 2708a_100015525214_200160471154 [0,2,0,0,0,0|2,0,0]=4 6702 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 273464a_100015525214_200160471154 [0,2,0,0,0,0|2,0,0]=4 6703 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 512a_100015525214_200160471154 [0,2,0,0,0,0|2,0,0]=4 6704 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 512a_200160471154_100015525214 [0,2,0,0,0,0|2,0,0]=4 6705 B11R0.83 C#CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000753159 [0,2,0,0,0,0|1,0,1]=4 6706 B11R0.83 C#CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000753159 [0,2,0,0,0,0|1,0,1]=4 6707 B11R0.83 C#CCNC(=O)CC(C)(C)CC 11a_100000212058_200000763500 [0,2,0,0,0,0|1,0,1]=4 6708 B11R0.83 C#CCNC(=O)CC(C)(C)CC 1626a_100000212058_200000763500 [0,2,0,0,0,0|1,0,1]=4 6709 B11R0.83 C#CCNC(=O)CC(C)(C)CC 240690a_100000212058_200000763500 [0,2,0,0,0,0|1,0,1]=4 6710 B11R0.83 C#CCNC(=O)CC(C)(C)CC 527a_100000212058_200000763500 [0,2,0,0,0,0|1,0,1]=4 6711 B11R0.83 C#CCNC(=O)CC(C)(O)CC 240690a_100000212058_200011219800 [0,2,0,0,0,0|1,0,1]=4 6712 B11R0.83 C#CCNC(=O)CC(C)(O)CC 527a_100000212058_200011219800 [0,2,0,0,0,0|1,0,1]=4 6713 B11R0.83 C/C=C/CC(=O)CC(C)(C)CC 1458a_200000763500_100102629194 [0,2,0,0,0,0|1,0,1]=4 6714 B11R0.83 C/C=C/CC(=O)CC(C)(O)CC 1458a_200011219800_100102629194 [0,2,0,0,0,0|1,0,1]=4 6715 B11R0.83 C=CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000754431 [0,2,0,0,0,0|1,0,1]=4 6716 B11R0.83 C=CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000754431 [0,2,0,0,0,0|1,0,1]=4 6717 B11R0.83 C=CCNC(=O)CC(C)(C)CC 1626a_100020586998_200000763500 [0,2,0,0,0,0|1,0,1]=4 6718 B11R0.83 C=CCNC(=O)CC(C)(C)CC 240690a_100020586998_200000763500 [0,2,0,0,0,0|1,0,1]=4 6719 B11R0.83 C=CCNC(=O)CC(C)(C)CC 527a_100020586998_200000763500 [0,2,0,0,0,0|1,0,1]=4 6720 B11R0.83 C=CCNC(=O)CC(C)(O)CC 240690a_100020586998_200011219800 [0,2,0,0,0,0|1,0,1]=4 6721 B11R0.83 C=CCNC(=O)CC(C)(O)CC 527a_100020586998_200011219800 [0,2,0,0,0,0|1,0,1]=4 6722 B11R0.83 CC#CCC(=O)CC(C)(C)CC 1458a_200000763500_100000748600 [0,2,0,0,0,0|1,0,1]=4 6723 B11R0.83 CC#CCC(=O)CC(C)(O)CC 1458a_200011219800_100000748600 [0,2,0,0,0,0|1,0,1]=4 6724 B11R0.83 CC=CCC(=O)CC(C)(C)CC 1458a_200000763500_100000070051 [0,2,0,0,0,0|1,0,1]=4 6725 B11R0.83 CC=CCC(=O)CC(C)(O)CC 1458a_200011219800_100000070051 [0,2,0,0,0,0|1,0,1]=4 6726 B11R0.83 CCC(C)(C)CC(=O)CCC#N 1458a_200000763500_100011215226 [0,2,0,0,0,0|1,0,1]=4 6727 B11R0.83 CCC(C)(C)CC(=O)CCCF 1458a_200000763500_100011934791 [0,2,0,0,0,0|1,0,0]=3 6728 B11R0.83 CCC(C)(C)CC(=O)CCCO 1458a_200000763500_100011215043 [0,2,0,0,0,0|1,0,0]=3 6729 B11R0.83 CCC(C)(C)CC(=O)CCOC 1458a_200000763500_100000233755 [0,2,0,0,0,0|1,0,0]=3 6730 B11R0.83 CCC(C)(C)CC(=O)CCSC 1458a_200000763500_100000751147 [0,2,0,0,0,0|1,0,0]=3 6731 B11R0.83 CCC(C)(C)CC(=O)NCC#N 1626a_100000734998_200000763500 [0,2,0,0,0,0|1,0,1]=4 6732 B11R0.83 CCC(C)(C)CC(=O)NCC#N 527a_100000734998_200000763500 [0,2,0,0,0,0|1,0,1]=4 6733 B11R0.83 CCC(C)(C)CC(=O)NCCF 11a_100000724931_200000763500 [0,2,0,0,0,0|1,0,0]=3 6734 B11R0.83 CCC(C)(C)CC(=O)NCCF 1626a_100000724931_200000763500 [0,2,0,0,0,0|1,0,0]=3 6735 B11R0.83 CCC(C)(C)CC(=O)NCCF 240690a_100000724931_200000763500 [0,2,0,0,0,0|1,0,0]=3 6736 B11R0.83 CCC(C)(C)CC(=O)NCCF 527a_100000724931_200000763500 [0,2,0,0,0,0|1,0,0]=3 6737 B11R0.83 CCC(C)(C)CC(=O)NCCO 240690a_100000210304_200000763500 [0,2,0,0,0,0|1,0,0]=3 6738 B11R0.83 CCC(C)(C)CC(=O)NCCO 527a_100000210304_200000763500 [0,2,0,0,0,0|1,0,0]=3 6739 B11R0.83 CCC(C)(C)NC(=O)CCOC 11a_100000211385_100000749529 [0,2,0,0,0,0|2,0,0]=4 6740 B11R0.83 CCC(C)(C)NC(=O)CCOC 1626a_100000211385_100000749529 [0,2,0,0,0,0|2,0,0]=4 6741 B11R0.83 CCC(C)(C)NC(=O)CCOC 240690a_100000211385_100000749529 [0,2,0,0,0,0|2,0,0]=4 6742 B11R0.83 CCC(C)(C)NC(=O)CCOC 527a_100000211385_100000749529 [0,2,0,0,0,0|2,0,0]=4 6743 B11R0.83 CCC(C)(C)NC(=O)CCSC 11a_100000211385_100000174002 [0,2,0,0,0,0|2,0,0]=4 6744 B11R0.83 CCC(C)(C)NC(=O)CCSC 1626a_100000211385_100000174002 [0,2,0,0,0,0|2,0,0]=4 6745 B11R0.83 CCC(C)(C)NC(=O)CCSC 240690a_100000211385_100000174002 [0,2,0,0,0,0|2,0,0]=4 6746 B11R0.83 CCC(C)(C)NC(=O)CCSC 527a_100000211385_100000174002 [0,2,0,0,0,0|2,0,0]=4 6747 B11R0.83 CCC(C)(C)NC(=O)NCCF 273464a_100000211385_100000724931 [0,2,0,0,0,0|2,0,0]=4 6748 B11R0.83 CCC(C)(C)NC(=O)NCCF 273464a_100000724931_100000211385 [0,2,0,0,0,0|2,0,0]=4 6749 B11R0.83 CCC(C)(C)NC(=O)NCCF 512a_100000211385_100000724931 [0,2,0,0,0,0|2,0,0]=4 6750 B11R0.83 CCC(C)(C)NC(=O)NCCO 273464a_100000210304_100000211385 [0,2,0,0,0,0|2,0,0]=4 6751 B11R0.83 CCC(C)(C)NC(=O)NCCO 273464a_100000211385_100000210304 [0,2,0,0,0,0|2,0,0]=4 6752 B11R0.83 CCC(C)(C)NC(=O)NCCO 512a_100000211385_100000210304 [0,2,0,0,0,0|2,0,0]=4 6753 B11R0.83 CCC(C)(O)CC(=O)CCC#N 1458a_200011219800_100011215226 [0,2,0,0,0,0|1,0,1]=4 6754 B11R0.83 CCC(C)(O)CC(=O)CCCF 1458a_200011219800_100011934791 [0,2,0,0,0,0|1,0,0]=3 6755 B11R0.83 CCC(C)(O)CC(=O)CCCO 1458a_200011219800_100011215043 [0,2,0,0,0,0|1,0,0]=3 6756 B11R0.83 CCC(C)(O)CC(=O)CCOC 1458a_200011219800_100000233755 [0,2,0,0,0,0|1,0,0]=3 6757 B11R0.83 CCC(C)(O)CC(=O)CCSC 1458a_200011219800_100000751147 [0,2,0,0,0,0|1,0,0]=3 6758 B11R0.83 CCC(C)(O)CC(=O)NCC#N 527a_100000734998_200011219800 [0,2,0,0,0,0|1,0,1]=4 6759 B11R0.83 CCC(C)(O)CC(=O)NCCF 240690a_100000724931_200011219800 [0,2,0,0,0,0|1,0,0]=3 6760 B11R0.83 CCC(C)(O)CC(=O)NCCF 527a_100000724931_200011219800 [0,2,0,0,0,0|1,0,0]=3 6761 B11R0.83 CCC(C)(O)CC(=O)NCCO 240690a_100000210304_200011219800 [0,2,0,0,0,0|1,0,0]=3 6762 B11R0.83 CCC(C)(O)CC(=O)NCCO 527a_100000210304_200011219800 [0,2,0,0,0,0|1,0,0]=3 6763 B11R0.83 CCC=CC(=O)NC(C)(C)CC 11a_100000211385_100000212282 [0,2,0,0,0,0|2,0,0]=4 6764 B11R0.83 CCC=CC(=O)NC(C)(C)CC 1626a_100000211385_100000212282 [0,2,0,0,0,0|2,0,0]=4 6765 B11R0.83 CCC=CC(=O)NC(C)(C)CC 240690a_100000211385_100000212282 [0,2,0,0,0,0|2,0,0]=4 6766 B11R0.83 CCCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210211 [0,2,0,0,0,0|1,0,0]=3 6767 B11R0.83 CCCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210211 [0,2,0,0,0,0|1,0,0]=3 6768 B11R0.83 CCCCC(=O)NC(C)(C)CC 11a_100000211385_100000210183 [0,2,0,0,0,0|2,0,0]=4 6769 B11R0.83 CCCCC(=O)NC(C)(C)CC 1626a_100000211385_100000210183 [0,2,0,0,0,0|2,0,0]=4 6770 B11R0.83 CCCCC(=O)NC(C)(C)CC 240690a_100000211385_100000210183 [0,2,0,0,0,0|2,0,0]=4 6771 B11R0.83 CCCCC(=O)NC(C)(C)CC 527a_100000211385_100000210183 [0,2,0,0,0,0|2,0,0]=4 6772 B11R0.83 CCCNC(=O)CC(C)(C)CC 11a_100020643023_200000763500 [0,2,0,0,0,0|1,0,0]=3 6773 B11R0.83 CCCNC(=O)CC(C)(C)CC 1626a_100020643023_200000763500 [0,2,0,0,0,0|1,0,0]=3 6774 B11R0.83 CCCNC(=O)CC(C)(C)CC 240690a_100020643023_200000763500 [0,2,0,0,0,0|1,0,0]=3 6775 B11R0.83 CCCNC(=O)CC(C)(C)CC 527a_100020643023_200000763500 [0,2,0,0,0,0|1,0,0]=3 6776 B11R0.83 CCCNC(=O)CC(C)(O)CC 240690a_100020643023_200011219800 [0,2,0,0,0,0|1,0,0]=3 6777 B11R0.83 CCCNC(=O)CC(C)(O)CC 527a_100020643023_200011219800 [0,2,0,0,0,0|1,0,0]=3 6778 B11R0.83 CCCNC(=O)NC(C)(C)CC 2708a_100020643023_100000211385 [0,2,0,0,0,0|2,0,0]=4 6779 B11R0.83 CCCNC(=O)NC(C)(C)CC 273464a_100000211385_100020643023 [0,2,0,0,0,0|2,0,0]=4 6780 B11R0.83 CCCNC(=O)NC(C)(C)CC 273464a_100020643023_100000211385 [0,2,0,0,0,0|2,0,0]=4 6781 B11R0.83 CCCNC(=O)NC(C)(C)CC 512a_100000211385_100020643023 [0,2,0,0,0,0|2,0,0]=4 6782 B11R0.83 CCCNC(=O)NC(C)(C)CC 512a_100020643023_100000211385 [0,2,0,0,0,0|2,0,0]=4 6783 B11R0.83 CCNCC(=O)NC(C)(C)CC 2230a_100015525214_100000230344 [0,2,0,0,0,0|2,0,0]=4 6784 B11R0.83 CCNNC(=O)CC(C)(C)CC 22a_100000756455_200000763500 [0,2,0,0,0,0|1,0,0]=3 6785 B11R0.83 CCNNC(=O)CC(C)(O)CC 22a_100000756455_200011219800 [0,2,0,0,0,0|1,0,0]=3 6786 B11R0.83 CCNNC(=O)NC(C)(C)CC 273464a_100000211385_100000756455 [0,2,0,0,0,0|2,0,0]=4 6787 B11R0.83 CCNNC(=O)NC(C)(C)CC 512a_100000211385_100000756455 [0,2,0,0,0,0|2,0,0]=4 6788 B11R0.83 CCNNC(=O)NC(C)(C)CC 512a_100000756455_100000211385 [0,2,0,0,0,0|2,0,0]=4 6789 B11R0.83 CCOCC(=O)NC(C)(C)CC 11a_100000211385_100000211967 [0,2,0,0,0,0|1,0,0]=3 6790 B11R0.83 CCOCC(=O)NC(C)(C)CC 1626a_100000211385_100000211967 [0,2,0,0,0,0|1,0,0]=3 6791 B11R0.83 CCOCC(=O)NC(C)(C)CC 240690a_100000211385_100000211967 [0,2,0,0,0,0|1,0,0]=3 6792 B11R0.83 CCOCC(=O)NC(C)(C)CC 34a_100121572206_100000230344 [0,2,0,0,0,0|1,0,0]=3 6793 B11R0.83 CCOCC(=O)NC(C)(C)CC 527a_100000211385_100000211967 [0,2,0,0,0,0|1,0,0]=3 6794 B11R0.83 CCOCC(=O)NC(C)(C)CO 240690a_100000210608_100000211967 [0,2,0,0,0,0|2,0,0]=4 6795 B11R0.83 CCOCC(=O)NC(C)(C)CO 527a_100020618417_100000211967 [0,2,0,0,0,0|2,0,0]=4 6796 B11R0.83 CCSCC(=O)NC(C)(C)CC 11a_100000211385_100000230394 [0,2,0,0,0,0|1,1,0]=4 6797 B11R0.83 CCSCC(=O)NC(C)(C)CC 1626a_100000211385_100000230394 [0,2,0,0,0,0|1,1,0]=4 6798 B11R0.83 CCSCC(=O)NC(C)(C)CC 240690a_100000211385_100000230394 [0,2,0,0,0,0|1,1,0]=4 6799 B11R0.83 CCSCC(=O)NC(C)(C)CC 527a_100000211385_100000230394 [0,2,0,0,0,0|1,1,0]=4 6800 B11R0.83 CCSCC(=O)NC(C)(C)CC 62a_100000210202_100000230344 [0,2,0,0,0,0|1,1,0]=4 6801 B11R0.83 CCSCC(=O)NC(C)(C)CC 62a_100000230344_100000210202 [0,2,0,0,0,0|1,1,0]=4 6802 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 11a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 6803 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 1626a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 6804 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 240690a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 6805 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 527a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 6806 B11R0.122 CCNC(=O)N(C)C(C)(C)CC 2708a_100015525214_200000755171 [0,2,0,0,0,0|2,0,0]=4 6807 B11R0.122 CCNC(=O)N(C)C(C)(C)CC 273464a_100015525214_200000755171 [0,2,0,0,0,0|2,0,0]=4 6808 B11R0.209 CCC(=O)C(=O)NC(C)(C)CC 1458a_200011297151_100000210202 [0,2,0,0,0,0|2,0,0]=4 6809 B11R0.209 CCC(C)C(=O)CC(C)(C)CC 1458a_200000763500_100000758301 [0,2,0,0,0,0|1,0,0]=3 6810 B11R0.209 CCC(C)C(=O)CC(C)(O)CC 1458a_200011219800_100000758301 [0,2,0,0,0,0|1,0,0]=3 6811 B11R0.209 CCC(C)C(=O)NC(C)(C)CC 11a_100000211385_100011192722 [0,2,0,0,0,0|2,0,0]=4 6812 B11R0.209 CCC(C)C(=O)NC(C)(C)CC 1626a_100000211385_100011192722 [0,2,0,0,0,0|2,0,0]=4 6813 B11R0.209 CCC(C)C(=O)NC(C)(C)CC 240690a_100000211385_100011192722 [0,2,0,0,0,0|2,0,0]=4 6814 B11R0.209 CCC(C)C(=O)NC(C)(C)CC 527a_100000211385_100011192722 [0,2,0,0,0,0|2,0,0]=4 6815 B11R0.209 CCC(O)C(=O)NC(C)(C)CC 240690a_100000211385_100011196387 [0,2,0,0,0,0|2,0,0]=4 6816 B11R0.209 CCN(C)C(=O)CC(C)(C)CC 11a_100000225621_200000763500 [0,2,0,0,0,0|1,0,0]=3 6817 B11R0.209 CCN(C)C(=O)CC(C)(C)CC 1626a_100000225621_200000763500 [0,2,0,0,0,0|1,0,0]=3 6818 B11R0.209 CCN(C)C(=O)CC(C)(C)CC 240690a_100000225621_200000763500 [0,2,0,0,0,0|1,0,0]=3 6819 B11R0.209 CCN(C)C(=O)CC(C)(C)CC 527a_100000225621_200000763500 [0,2,0,0,0,0|1,0,0]=3 6820 B11R0.209 CCN(C)C(=O)CC(C)(O)CC 240690a_100000225621_200011219800 [0,2,0,0,0,0|1,0,0]=3 6821 B11R0.209 CCN(C)C(=O)CC(C)(O)CC 527a_100000225621_200011219800 [0,2,0,0,0,0|1,0,0]=3 6822 B11R0.209 CCN(C)C(=O)NC(C)(C)CC 273464a_100000211385_100000225621 [0,2,0,0,0,0|2,0,0]=4 6823 B11R0.300 C=C(C)CC(=O)CC(C)(C)CC 1458a_200000763500_100000748629 [0,2,0,0,0,0|1,0,1]=4 6824 B11R0.300 C=C(C)CC(=O)CC(C)(O)CC 1458a_200011219800_100000748629 [0,2,0,0,0,0|1,0,1]=4 6825 B11R0.300 CCC(C)(C)CC(=O)CC(C)C 1458a_200000763500_100000210624 [0,2,0,0,0,0|1,0,0]=3 6826 B11R0.300 CCC(C)(C)CC(=O)CC(C)O 1458a_200000763500_100011218427 [0,2,0,0,0,0|1,0,0]=3 6827 B11R0.300 CCC(C)(C)CC(=O)CC(F)F 1458a_200000763500_100011934356 [0,2,0,0,0,0|2,0,0]=4 6828 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 11a_100138425928_200000763500 [0,2,0,0,0,0|1,0,0]=3 6829 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 1626a_100138425928_200000763500 [0,2,0,0,0,0|1,0,0]=3 6830 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 240690a_100138425928_200000763500 [0,2,0,0,0,0|1,0,0]=3 6831 B11R0.300 CCC(C)(C)CC(=O)NC(C)C 527a_100138425928_200000763500 [0,2,0,0,0,0|1,0,0]=3 6832 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 11a_100000211385_100000210554 [0,2,0,0,0,0|2,0,0]=4 6833 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 1626a_100000211385_100000210554 [0,2,0,0,0,0|2,0,0]=4 6834 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 240690a_100000211385_100000210554 [0,2,0,0,0,0|2,0,0]=4 6835 B11R0.300 CCC(C)(C)NC(=O)CC(C)C 527a_100000211385_100000210554 [0,2,0,0,0,0|2,0,0]=4 6836 B11R0.300 CCC(C)(C)NC(=O)C[C@@H](C)O 240690a_100000211385_100011933948 [0,2,0,0,0,0|2,0,0]=4 6837 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 2708a_100138425928_100000211385 [0,2,0,0,0,0|2,0,0]=4 6838 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 273464a_100138425928_100000211385 [0,2,0,0,0,0|2,0,0]=4 6839 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 512a_100000211385_100138425928 [0,2,0,0,0,0|2,0,0]=4 6840 B11R0.300 CCC(C)(C)NC(=O)NC(C)C 512a_100138425928_100000211385 [0,2,0,0,0,0|2,0,0]=4 6841 B11R0.300 CCC(C)(O)CC(=O)CC(C)C 1458a_200011219800_100000210624 [0,2,0,0,0,0|1,0,0]=3 6842 B11R0.300 CCC(C)(O)CC(=O)CC(C)O 1458a_200011219800_100011218427 [0,2,0,0,0,0|1,0,0]=3 6843 B11R0.300 CCC(C)(O)CC(=O)CC(F)F 1458a_200011219800_100011934356 [0,2,0,0,0,0|2,0,0]=4 6844 B11R0.300 CCC(C)(O)CC(=O)NC(C)C 240690a_100138425928_200011219800 [0,2,0,0,0,0|1,0,0]=3 6845 B11R0.300 CCC(C)(O)CC(=O)NC(C)C 527a_100138425928_200011219800 [0,2,0,0,0,0|1,0,0]=3 6846 B11R0.354 C#CC(C)(CC)NC(=O)CCC 11a_100000054623_100000211992 [0,2,0,0,0,0|2,0,0]=4 6847 B11R0.354 C#CC(C)(CC)NC(=O)CCC 1626a_100000054623_100000211992 [0,2,0,0,0,0|2,0,0]=4 6848 B11R0.354 C#CC(C)(CC)NC(=O)CCC 240690a_100000054623_100000211992 [0,2,0,0,0,0|2,0,0]=4 6849 B11R0.354 C#CC(C)(CC)NC(=O)NCC 273464a_100000054623_100015525214 [0,2,0,0,0,0|2,0,0]=4 6850 B11R0.354 C#CC(C)(CC)NC(=O)NCC 273464a_100015525214_100000054623 [0,2,0,0,0,0|2,0,0]=4 6851 B11R0.354 C#CC(C)(CC)NC(=O)NCC 512a_100000054623_100015525214 [0,2,0,0,0,0|2,0,0]=4 6852 B11R0.354 C#CC(C)(CC)NC(=O)NCC 512a_100015525214_100000054623 [0,2,0,0,0,0|2,0,0]=4 6853 B11R0.354 CCCC(=O)NC(C)(C#N)CC 11a_100000741185_100000211992 [0,2,0,0,0,0|2,0,0]=4 6854 B11R0.354 CCCC(=O)NC(C)(C#N)CC 1626a_100000741185_100000211992 [0,2,0,0,0,0|2,0,0]=4 6855 B11R0.354 CCCC(=O)NC(C)(C#N)CC 240690a_100000741185_100000211992 [0,2,0,0,0,0|2,0,0]=4 6856 B11R0.354 CCCC(=O)NC(C)(C#N)CC 527a_100000741185_100000211992 [0,2,0,0,0,0|2,0,0]=4 6857 B11R0.354 CCCC(=O)NC(C)(CC)CO 240690a_100000747662_100000211992 [0,2,0,0,0,0|2,0,0]=4 6858 B11R0.354 CCCC(=O)NC(C)(CC)CO 527a_100000747662_100000211992 [0,2,0,0,0,0|2,0,0]=4 6859 B11R0.354 CCNC(=O)NC(C)(C#N)CC 273464a_100000741185_100015525214 [0,2,0,0,0,0|2,0,0]=4 6860 B11R0.354 CCNC(=O)NC(C)(C#N)CC 273464a_100015525214_100000741185 [0,2,0,0,0,0|2,0,0]=4 6861 B11R0.354 CCNC(=O)NC(C)(C#N)CC 512a_100000741185_100015525214 [0,2,0,0,0,0|2,0,0]=4 6862 B11R0.354 CCNC(=O)NC(C)(C#N)CC 512a_100015525214_100000741185 [0,2,0,0,0,0|2,0,0]=4 6863 B11R0.354 CCNC(=O)NC(C)(CC)CO 2708a_100015525214_100000747662 [0,2,0,0,0,0|2,0,0]=4 6864 B11R0.354 CCNC(=O)NC(C)(CC)CO 273464a_100000747662_100015525214 [0,2,0,0,0,0|2,0,0]=4 6865 B11R0.354 CCNC(=O)NC(C)(CC)CO 273464a_100015525214_100000747662 [0,2,0,0,0,0|2,0,0]=4 6866 B11R0.354 CCNC(=O)NC(C)(CC)CO 512a_100000747662_100015525214 [0,2,0,0,0,0|2,0,0]=4 6867 B11R0.354 CCNC(=O)NC(C)(CC)CO 512a_100015525214_100000747662 [0,2,0,0,0,0|2,0,0]=4 6868 B11R0.72 C#CCCC(=O)CC(CC)CC 1458a_100000692101_100011215472 [0,2,0,0,0,0|1,0,1]=4 6869 B11R0.72 C=C(CN(CC)CC)OCOC 269956a_100000042499_100000042856 [0,2,0,0,0,0|2,0,0]=4 6870 B11R0.72 C=C(CN(CC)CC)OCOC 269982a_100000724800_100000042856 [0,2,0,0,0,0|2,0,0]=4 6871 B11R0.72 C=CCCC(=O)CC(CC)CC 1458a_100000749702_100011215472 [0,2,0,0,0,0|1,0,1]=4 6872 B11R0.72 C=CCOC(=O)CN(CC)CC 2230a_100000724800_100000033060 [0,2,0,0,0,0|1,0,1]=4 6873 B11R0.72 C=CCOC(=O)CN(CC)CC 269956a_100000042499_100000033060 [0,2,0,0,0,0|1,0,1]=4 6874 B11R0.72 C=CCOC(=O)CN(CC)CC 269982a_100000724800_100000033060 [0,2,0,0,0,0|1,0,1]=4 6875 B11R0.72 CC=CCC(=O)CC(CC)CC 1458a_100121576822_100011215472 [0,2,0,0,0,0|1,0,1]=4 6876 B11R0.72 CCC#CC(=O)CC(CC)CC 1458a_100011827653_100011215472 [0,2,0,0,0,0|1,0,0]=3 6877 B11R0.72 CCC#CC(=O)CC(OC)OC 1458a_100011827653_100000751394 [0,2,0,0,0,0|2,0,0]=4 6878 B11R0.72 CCC(CC)CC(=O)C#CCO 1458a_100000049017_100011215472 [0,2,0,0,0,0|1,0,1]=4 6879 B11R0.72 CCC(CC)CC(=O)C=COC 1458a_100016268678_100011215472 [0,2,0,0,0,0|1,0,1]=4 6880 B11R0.72 CCC(CC)CC(=O)CCC#N 1458a_100011934036_100011215472 [0,2,0,0,0,0|1,0,1]=4 6881 B11R0.72 CCC(CC)CC(=O)CCOC 1458a_100000749529_100011215472 [0,2,0,0,0,0|1,0,0]=3 6882 B11R0.72 CCC(CC)CC(=O)CCSC 1458a_100000174002_100011215472 [0,2,0,0,0,0|1,0,0]=3 6883 B11R0.72 CCC(CC)NC(=O)CCOC 11a_100000199018_100000749529 [0,2,0,0,0,0|2,0,0]=4 6884 B11R0.72 CCC(CC)NC(=O)CCOC 1626a_100000199018_100000749529 [0,2,0,0,0,0|2,0,0]=4 6885 B11R0.72 CCC(CC)NC(=O)CCOC 240690a_100000199018_100000749529 [0,2,0,0,0,0|2,0,0]=4 6886 B11R0.72 CCC(CC)NC(=O)CCOC 527a_100000199018_100000749529 [0,2,0,0,0,0|2,0,0]=4 6887 B11R0.72 CCC(CC)NC(=O)CCSC 11a_100000199018_100000174002 [0,2,0,0,0,0|2,0,0]=4 6888 B11R0.72 CCC(CC)NC(=O)CCSC 1626a_100000199018_100000174002 [0,2,0,0,0,0|2,0,0]=4 6889 B11R0.72 CCC(CC)NC(=O)CCSC 240690a_100000199018_100000174002 [0,2,0,0,0,0|2,0,0]=4 6890 B11R0.72 CCC(CC)NC(=O)CCSC 527a_100000199018_100000174002 [0,2,0,0,0,0|2,0,0]=4 6891 B11R0.72 CCC(CC)NC(=O)NCCF 2708a_100000199018_100000724931 [0,2,0,0,0,0|2,0,0]=4 6892 B11R0.72 CCC(CC)NC(=O)NCCF 273464a_100000199018_100000724931 [0,2,0,0,0,0|2,0,0]=4 6893 B11R0.72 CCC(CC)NC(=O)NCCF 273464a_100000724931_100000199018 [0,2,0,0,0,0|2,0,0]=4 6894 B11R0.72 CCC(CC)NC(=O)NCCF 512a_100000199018_100000724931 [0,2,0,0,0,0|2,0,0]=4 6895 B11R0.72 CCC(CC)NC(=O)NCCO 2708a_100000199018_100000210304 [0,2,0,0,0,0|2,0,0]=4 6896 B11R0.72 CCC(CC)NC(=O)NCCO 273464a_100000199018_100000210304 [0,2,0,0,0,0|2,0,0]=4 6897 B11R0.72 CCC(CC)NC(=O)NCCO 273464a_100000210304_100000199018 [0,2,0,0,0,0|2,0,0]=4 6898 B11R0.72 CCC(CC)NC(=O)NCCO 512a_100000199018_100000210304 [0,2,0,0,0,0|2,0,0]=4 6899 B11R0.72 CCC=CC(=O)CC(CC)CC 1458a_100000212282_100011215472 [0,2,0,0,0,0|1,0,0]=3 6900 B11R0.72 CCC=CC(=O)CC(OC)OC 1458a_100000212282_100000751394 [0,2,0,0,0,0|2,0,0]=4 6901 B11R0.72 CCC=CC(=O)NC(CC)CC 11a_100000199018_100000212282 [0,2,0,0,0,0|2,0,0]=4 6902 B11R0.72 CCC=CC(=O)NC(CC)CC 1626a_100000199018_100000212282 [0,2,0,0,0,0|2,0,0]=4 6903 B11R0.72 CCC=CC(=O)NC(CC)CC 240690a_100000199018_100000212282 [0,2,0,0,0,0|2,0,0]=4 6904 B11R0.72 CCC=CC(=O)N[C@@H](CC)CO 240690a_100000709445_100000212282 [0,2,0,0,0,0|2,0,0]=4 6905 B11R0.72 CCCCC(=O)CC(CC)CC 1458a_100000210183_100011215472 [0,2,0,0,0,0|1,0,0]=3 6906 B11R0.72 CCCCC(=O)CC(OC)OC 1458a_100000082724_100000210211 [0,2,0,0,0,0|2,0,0]=4 6907 B11R0.72 CCCCC(=O)CC(OC)OC 1458a_100000210183_100000751394 [0,2,0,0,0,0|2,0,0]=4 6908 B11R0.72 CCCCC(=O)CN(CC)CC 1458a_100000758533_100000210211 [0,2,0,0,0,0|2,0,0]=4 6909 B11R0.72 CCCCC(=O)NC(CC)CC 11a_100000199018_100000210183 [0,2,0,0,0,0|2,0,0]=4 6910 B11R0.72 CCCCC(=O)NC(CC)CC 1626a_100000199018_100000210183 [0,2,0,0,0,0|2,0,0]=4 6911 B11R0.72 CCCCC(=O)NC(CC)CC 240690a_100000199018_100000210183 [0,2,0,0,0,0|2,0,0]=4 6912 B11R0.72 CCCCC(=O)NC(CC)CC 527a_100000199018_100000210183 [0,2,0,0,0,0|2,0,0]=4 6913 B11R0.72 CCCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210183 [0,2,0,0,0,0|2,0,0]=4 6914 B11R0.72 CCCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000210183 [0,2,0,0,0,0|2,0,0]=4 6915 B11R0.72 CCCNC(=O)CC(OC)OC 11a_100020643023_100000082724 [0,2,0,0,0,0|2,0,0]=4 6916 B11R0.72 CCCNC(=O)CC(OC)OC 1626a_100020643023_100000082724 [0,2,0,0,0,0|2,0,0]=4 6917 B11R0.72 CCCNC(=O)CC(OC)OC 240690a_100020643023_100000082724 [0,2,0,0,0,0|2,0,0]=4 6918 B11R0.72 CCCNC(=O)CC(OC)OC 527a_100020643023_100000082724 [0,2,0,0,0,0|2,0,0]=4 6919 B11R0.72 CCCNC(=O)CN(CC)CC 11a_100020643023_100000758533 [0,2,0,0,0,0|2,0,0]=4 6920 B11R0.72 CCCNC(=O)CN(CC)CC 1626a_100020643023_100000758533 [0,2,0,0,0,0|2,0,0]=4 6921 B11R0.72 CCCNC(=O)CN(CC)CC 2230a_100000724800_100000183358 [0,2,0,0,0,0|2,0,0]=4 6922 B11R0.72 CCCNC(=O)CN(CC)CC 240690a_100020643023_100000758533 [0,2,0,0,0,0|2,0,0]=4 6923 B11R0.72 CCCNC(=O)CN(CC)CC 269956a_100000042499_100000183358 [0,2,0,0,0,0|2,0,0]=4 6924 B11R0.72 CCCNC(=O)CN(CC)CC 269982a_100000724800_100000183358 [0,2,0,0,0,0|2,0,0]=4 6925 B11R0.72 CCCNC(=O)CN(CC)CC 527a_100020643023_100000758533 [0,2,0,0,0,0|2,0,0]=4 6926 B11R0.72 CCCNC(=O)NC(CC)CC 2708a_100000199018_100020643023 [0,2,0,0,0,0|2,0,0]=4 6927 B11R0.72 CCCNC(=O)NC(CC)CC 2708a_100020643023_100000199018 [0,2,0,0,0,0|2,0,0]=4 6928 B11R0.72 CCCNC(=O)NC(CC)CC 273464a_100000199018_100020643023 [0,2,0,0,0,0|2,0,0]=4 6929 B11R0.72 CCCNC(=O)NC(CC)CC 273464a_100020643023_100000199018 [0,2,0,0,0,0|2,0,0]=4 6930 B11R0.72 CCCNC(=O)NC(CC)CC 512a_100000199018_100020643023 [0,2,0,0,0,0|2,0,0]=4 6931 B11R0.72 CCCNC(=O)NC(CC)CC 512a_100020643023_100000199018 [0,2,0,0,0,0|2,0,0]=4 6932 B11R0.72 CCCNC(=O)N[C@@H](CC)CO 2708a_100020643023_100000709445 [0,2,0,0,0,0|2,0,0]=4 6933 B11R0.72 CCCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100020643023 [0,2,0,0,0,0|2,0,0]=4 6934 B11R0.72 CCCNC(=O)N[C@@H](CC)CO 273464a_100020643023_100000709445 [0,2,0,0,0,0|2,0,0]=4 6935 B11R0.72 CCCNC(=O)N[C@@H](CC)CO 512a_100000709445_100020643023 [0,2,0,0,0,0|2,0,0]=4 6936 B11R0.72 CCCNC(=O)N[C@@H](CC)CO 512a_100020643023_100000709445 [0,2,0,0,0,0|2,0,0]=4 6937 B11R0.72 CCCOC(=O)CN(CC)CC 2230a_100000724800_200011215008 [0,2,0,0,0,0|1,0,0]=3 6938 B11R0.72 CCCOC(=O)CN(CC)CC 269956a_100000042499_200011215008 [0,2,0,0,0,0|1,0,0]=3 6939 B11R0.72 CCCOC(=O)CN(CC)CC 269982a_100000724800_200011215008 [0,2,0,0,0,0|1,0,0]=3 6940 B11R0.72 CCN(CC)CC(=O)CCCF 1458a_100000758533_100011934791 [0,2,0,0,0,0|2,0,0]=4 6941 B11R0.72 CCN(CC)CC(=O)CCCO 1458a_100000758533_100011215043 [0,2,0,0,0,0|2,0,0]=4 6942 B11R0.72 CCN(CC)CC(=O)CCOC 1458a_100000758533_100000233755 [0,2,0,0,0,0|2,0,0]=4 6943 B11R0.72 CCN(CC)CC(=O)CCSC 1458a_100000758533_100000751147 [0,2,0,0,0,0|2,0,0]=4 6944 B11R0.72 CCN(CC)CC(=O)NCCF 11a_100000724931_100000758533 [0,2,0,0,0,0|2,0,0]=4 6945 B11R0.72 CCN(CC)CC(=O)NCCF 1626a_100000724931_100000758533 [0,2,0,0,0,0|2,0,0]=4 6946 B11R0.72 CCN(CC)CC(=O)NCCF 240690a_100000724931_100000758533 [0,2,0,0,0,0|2,0,0]=4 6947 B11R0.72 CCN(CC)CC(=O)NCCF 527a_100000724931_100000758533 [0,2,0,0,0,0|2,0,0]=4 6948 B11R0.72 CCN(CC)CC(=O)NCCO 240690a_100000210304_100000758533 [0,2,0,0,0,0|2,0,0]=4 6949 B11R0.72 CCN(CC)CC(=O)NCCO 527a_100000210304_100000758533 [0,2,0,0,0,0|2,0,0]=4 6950 B11R0.72 CCNNC(=O)CC(OC)OC 22a_100000756455_100000082724 [0,2,0,0,0,0|2,0,0]=4 6951 B11R0.72 CCNNC(=O)CN(CC)CC 22a_100000756455_100000758533 [0,2,0,0,0,0|2,0,0]=4 6952 B11R0.72 CCNNC(=O)NC(CC)CC 273464a_100000199018_100000756455 [0,2,0,0,0,0|2,0,0]=4 6953 B11R0.72 CCNNC(=O)NC(CC)CC 512a_100000199018_100000756455 [0,2,0,0,0,0|2,0,0]=4 6954 B11R0.72 CCNNC(=O)NC(CC)CC 512a_100000756455_100000199018 [0,2,0,0,0,0|2,0,0]=4 6955 B11R0.72 CCNNC(=O)N[C@@H](CC)CO 273464a_100000709445_100000756455 [0,2,0,0,0,0|2,0,0]=4 6956 B11R0.72 CCNNC(=O)N[C@@H](CC)CO 512a_100000709445_100000756455 [0,2,0,0,0,0|2,0,0]=4 6957 B11R0.72 CCNNC(=O)N[C@@H](CC)CO 512a_100000756455_100000709445 [0,2,0,0,0,0|2,0,0]=4 6958 B11R0.72 CCOCC(=O)CC(CC)CC 1458a_100000211967_100011215472 [0,2,0,0,0,0|0,0,0]=2 6959 B11R0.72 CCOCC(=O)CC(OC)OC 1458a_100000211967_100000751394 [0,2,0,0,0,0|1,0,0]=3 6960 B11R0.72 CCOCC(=O)NC(CC)CC 11a_100000199018_100000211967 [0,2,0,0,0,0|1,0,0]=3 6961 B11R0.72 CCOCC(=O)NC(CC)CC 1626a_100000199018_100000211967 [0,2,0,0,0,0|1,0,0]=3 6962 B11R0.72 CCOCC(=O)NC(CC)CC 240690a_100000199018_100000211967 [0,2,0,0,0,0|1,0,0]=3 6963 B11R0.72 CCOCC(=O)NC(CC)CC 527a_100000199018_100000211967 [0,2,0,0,0,0|1,0,0]=3 6964 B11R0.72 CCOCC(=O)NC(CO)CO 240690a_100000759517_100000211967 [0,2,0,0,0,0|2,0,0]=4 6965 B11R0.72 CCOCC(=O)NC(CO)CO 527a_100000759517_100000211967 [0,2,0,0,0,0|2,0,0]=4 6966 B11R0.72 CCOCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000211967 [0,2,0,0,0,0|1,0,0]=3 6967 B11R0.72 CCOCC(=O)N[C@@H](CC)CO 527a_100000709445_100000211967 [0,2,0,0,0,0|1,0,0]=3 6968 B11R0.72 CCSCC(=O)CC(CC)CC 1458a_100000230394_100011215472 [0,2,0,0,0,0|0,1,0]=3 6969 B11R0.72 CCSCC(=O)CC(OC)OC 1458a_100000230394_100000751394 [0,2,0,0,0,0|1,1,0]=4 6970 B11R0.72 CCSCC(=O)NC(CC)CC 11a_100000199018_100000230394 [0,2,0,0,0,0|1,1,0]=4 6971 B11R0.72 CCSCC(=O)NC(CC)CC 1626a_100000199018_100000230394 [0,2,0,0,0,0|1,1,0]=4 6972 B11R0.72 CCSCC(=O)NC(CC)CC 240690a_100000199018_100000230394 [0,2,0,0,0,0|1,1,0]=4 6973 B11R0.72 CCSCC(=O)NC(CC)CC 527a_100000199018_100000230394 [0,2,0,0,0,0|1,1,0]=4 6974 B11R0.72 CCSCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000230394 [0,2,0,0,0,0|1,1,0]=4 6975 B11R0.72 CCSCC(=O)N[C@@H](CC)CO 527a_100000709445_100000230394 [0,2,0,0,0,0|1,1,0]=4 6976 B11R0.72 CC[C@@H](CO)NC(=O)CCOC 240690a_100000709445_100000749529 [0,2,0,0,0,0|2,0,0]=4 6977 B11R0.72 CC[C@@H](CO)NC(=O)CCOC 527a_100000709445_100000749529 [0,2,0,0,0,0|2,0,0]=4 6978 B11R0.72 CC[C@@H](CO)NC(=O)CCSC 240690a_100000709445_100000174002 [0,2,0,0,0,0|2,0,0]=4 6979 B11R0.72 CC[C@@H](CO)NC(=O)CCSC 527a_100000709445_100000174002 [0,2,0,0,0,0|2,0,0]=4 6980 B11R0.72 CC[C@@H](CO)NC(=O)NCCF 273464a_100000709445_100000724931 [0,2,0,0,0,0|2,0,0]=4 6981 B11R0.72 CC[C@@H](CO)NC(=O)NCCF 273464a_100000724931_100000709445 [0,2,0,0,0,0|2,0,0]=4 6982 B11R0.72 CC[C@@H](CO)NC(=O)NCCF 512a_100000709445_100000724931 [0,2,0,0,0,0|2,0,0]=4 6983 B11R0.72 CC[C@@H](CO)NC(=O)NCCO 273464a_100000210304_100000709445 [0,2,0,0,0,0|2,0,0]=4 6984 B11R0.72 CC[C@@H](CO)NC(=O)NCCO 273464a_100000709445_100000210304 [0,2,0,0,0,0|2,0,0]=4 6985 B11R0.72 CC[C@@H](CO)NC(=O)NCCO 512a_100000709445_100000210304 [0,2,0,0,0,0|2,0,0]=4 6986 B11R0.72 COC(CC(=O)CCCF)OC 1458a_100000082724_100011934791 [0,2,0,0,0,0|2,0,0]=4 6987 B11R0.72 COC(CC(=O)CCCO)OC 1458a_100000082724_100011215043 [0,2,0,0,0,0|2,0,0]=4 6988 B11R0.72 COC(CC(=O)CCSC)OC 1458a_100000082724_100000751147 [0,2,0,0,0,0|2,0,0]=4 6989 B11R0.72 COC(CC(=O)CCSC)OC 1458a_100000174002_100000751394 [0,2,0,0,0,0|2,0,0]=4 6990 B11R0.72 COC(CC(=O)NCCF)OC 11a_100000724931_100000082724 [0,2,0,0,0,0|2,0,0]=4 6991 B11R0.72 COC(CC(=O)NCCF)OC 1626a_100000724931_100000082724 [0,2,0,0,0,0|2,0,0]=4 6992 B11R0.72 COC(CC(=O)NCCF)OC 240690a_100000724931_100000082724 [0,2,0,0,0,0|2,0,0]=4 6993 B11R0.72 COC(CC(=O)NCCF)OC 527a_100000724931_100000082724 [0,2,0,0,0,0|2,0,0]=4 6994 B11R0.72 COC(CC(=O)NCCO)OC 240690a_100000210304_100000082724 [0,2,0,0,0,0|2,0,0]=4 6995 B11R0.72 COC(CC(=O)NCCO)OC 527a_100000210304_100000082724 [0,2,0,0,0,0|2,0,0]=4 6996 B11R0.72 COCCC(=O)CC(OC)OC 1458a_100000082724_100000233755 [0,2,0,0,0,0|2,0,0]=4 6997 B11R0.72 COCCC(=O)CC(OC)OC 1458a_100000749529_100000751394 [0,2,0,0,0,0|2,0,0]=4 6998 B11R0.73 CCC(C)C(C)C(C)OCCF 7a_200011290770_100011217306 [0,2,0,0,0,0|1,0,1]=4 6999 B11R0.73 CCC(C)C(C)C(C)OCCO 7a_200011290770_100000211926 [0,2,0,0,0,0|1,0,1]=4 7000 B11R0.73 CCC(C)N(C)C(=O)CCOC 11a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 7001 B11R0.73 CCC(C)N(C)C(=O)CCOC 1626a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 7002 B11R0.73 CCC(C)N(C)C(=O)CCOC 240690a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 7003 B11R0.73 CCC(C)N(C)C(=O)CCOC 527a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 7004 B11R0.73 CCC(C)N(C)C(=O)CCSC 11a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 7005 B11R0.73 CCC(C)N(C)C(=O)CCSC 1626a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 7006 B11R0.73 CCC(C)N(C)C(=O)CCSC 240690a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 7007 B11R0.73 CCC(C)N(C)C(=O)CCSC 527a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 7008 B11R0.73 CCC(C)N(C)C(=O)NCCF 273464a_100000724931_100000741768 [0,2,0,0,0,0|2,0,0]=4 7009 B11R0.73 CCC(C)N(C)C(=O)NCCO 273464a_100000210304_100000741768 [0,2,0,0,0,0|2,0,0]=4 7010 B11R0.73 CCC=CC(=O)N(C)C(C)CC 11a_100000741768_100000212282 [0,2,0,0,0,0|2,0,0]=4 7011 B11R0.73 CCC=CC(=O)N(C)C(C)CC 1626a_100000741768_100000212282 [0,2,0,0,0,0|2,0,0]=4 7012 B11R0.73 CCC=CC(=O)N(C)C(C)CC 240690a_100000741768_100000212282 [0,2,0,0,0,0|2,0,0]=4 7013 B11R0.73 CCCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210211 [0,2,0,0,0,0|2,0,0]=4 7014 B11R0.73 CCCCC(=O)N(C)C(C)CC 11a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 7015 B11R0.73 CCCCC(=O)N(C)C(C)CC 1626a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 7016 B11R0.73 CCCCC(=O)N(C)C(C)CC 240690a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 7017 B11R0.73 CCCCC(=O)N(C)C(C)CC 527a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 7018 B11R0.73 CCCNC(=O)C(=O)C(C)CC 1458a_200011297150_100000758301 [0,2,0,0,0,0|1,0,1]=4 7019 B11R0.73 CCCNC(=O)C(C)N(C)CC 2230a_100000225621_100000230305 [0,2,0,0,0,0|2,0,0]=4 7020 B11R0.73 CCCNC(=O)C(C)N(C)CC 240690a_100020643023_100011281945 [0,2,0,0,0,0|2,0,0]=4 7021 B11R0.73 CCCNC(=O)C(C)N(C)CC 269982a_100000225621_100000230305 [0,2,0,0,0,0|2,0,0]=4 7022 B11R0.73 CCCNC(=O)C(C)N(C)CC 527a_100020643023_100011281945 [0,2,0,0,0,0|2,0,0]=4 7023 B11R0.73 CCCNC(=O)N(C)C(C)CC 2708a_100020643023_100000741768 [0,2,0,0,0,0|2,0,0]=4 7024 B11R0.73 CCCNC(=O)N(C)C(C)CC 273464a_100020643023_100000741768 [0,2,0,0,0,0|2,0,0]=4 7025 B11R0.73 CCCOC(=O)C(C)C(=O)CC 1458a_100000210414_100000760410 [0,2,0,0,0,0|1,0,1]=4 7026 B11R0.73 CCCOC(=O)C(C)N(C)CC 2230a_100000225621_100000760410 [0,2,0,0,0,0|1,0,0]=3 7027 B11R0.73 CCCOC(=O)C(C)N(C)CC 269982a_100000225621_100000760410 [0,2,0,0,0,0|1,0,0]=3 7028 B11R0.73 CCCOC(C)C(C)C(C)CC 7a_200011290770_100000210303 [0,2,0,0,0,0|1,0,1]=4 7029 B11R0.73 CCN(C)C(C)C(=O)CCCF 1458a_100011281945_100011934791 [0,2,0,0,0,0|2,0,0]=4 7030 B11R0.73 CCN(C)C(C)C(=O)CCCO 1458a_100011281945_100011215043 [0,2,0,0,0,0|2,0,0]=4 7031 B11R0.73 CCN(C)C(C)C(=O)CCOC 1458a_100011281945_100000233755 [0,2,0,0,0,0|2,0,0]=4 7032 B11R0.73 CCN(C)C(C)C(=O)CCSC 1458a_100011281945_100000751147 [0,2,0,0,0,0|2,0,0]=4 7033 B11R0.73 CCN(C)C(C)C(=O)NCCF 240690a_100000724931_100011281945 [0,2,0,0,0,0|2,0,0]=4 7034 B11R0.73 CCN(C)C(C)C(=O)NCCF 527a_100000724931_100011281945 [0,2,0,0,0,0|2,0,0]=4 7035 B11R0.73 CCN(C)C(C)C(=O)NCCO 240690a_100000210304_100011281945 [0,2,0,0,0,0|2,0,0]=4 7036 B11R0.73 CCN(C)C(C)C(=O)NCCO 527a_100000210304_100011281945 [0,2,0,0,0,0|2,0,0]=4 7037 B11R0.73 CCNNC(=O)C(C)N(C)CC 22a_100000756455_100011281945 [0,2,0,0,0,0|2,0,0]=4 7038 B11R0.73 CCOCC(=O)C(C)C(=O)CC 1458a_100000211967_100000742827 [0,2,0,0,0,0|1,0,1]=4 7039 B11R0.73 CCOCC(=O)N(C)C(C)CC 11a_100000741768_100000211967 [0,2,0,0,0,0|1,0,0]=3 7040 B11R0.73 CCOCC(=O)N(C)C(C)CC 1626a_100000741768_100000211967 [0,2,0,0,0,0|1,0,0]=3 7041 B11R0.73 CCOCC(=O)N(C)C(C)CC 240690a_100000741768_100000211967 [0,2,0,0,0,0|1,0,0]=3 7042 B11R0.73 CCOCC(=O)N(C)C(C)CC 527a_100000741768_100000211967 [0,2,0,0,0,0|1,0,0]=3 7043 B11R0.73 CCOCC(=O)N(C)C(C)CO 240690a_100000693034_100000211967 [0,2,0,0,0,0|2,0,0]=4 7044 B11R0.73 CCOCC(=O)N(C)C(C)CO 527a_100000693034_100000211967 [0,2,0,0,0,0|2,0,0]=4 7045 B11R0.73 CCSCC(=O)N(C)C(C)CC 11a_100000741768_100000230394 [0,2,0,0,0,0|1,1,0]=4 7046 B11R0.73 CCSCC(=O)N(C)C(C)CC 1626a_100000741768_100000230394 [0,2,0,0,0,0|1,1,0]=4 7047 B11R0.73 CCSCC(=O)N(C)C(C)CC 240690a_100000741768_100000230394 [0,2,0,0,0,0|1,1,0]=4 7048 B11R0.73 CCSCC(=O)N(C)C(C)CC 527a_100000741768_100000230394 [0,2,0,0,0,0|1,1,0]=4 7049 B11R0.93 C=C(C)CCC(=O)CC(C)CC 1458a_100000708755_100000730704 [0,2,0,0,0,0|1,0,0]=3 7050 B11R0.93 C=C(C)CCC(=O)CC(C)CC 1458a_200000688413_100000748023 [0,2,0,0,0,0|1,0,0]=3 7051 B11R0.93 C=C(C)CCC(=O)CC(O)CC 1458a_100011667805_100000730704 [0,2,0,0,0,0|2,0,0]=4 7052 B11R0.93 C=C(C)CCC(=O)CC(O)CC 1458a_200000688413_100011218378 [0,2,0,0,0,0|2,0,0]=4 7053 B11R0.93 C=C(C)CCC(=O)CN(C)CC 1458a_100116209913_100000730704 [0,2,0,0,0,0|2,0,0]=4 7054 B11R0.93 C=C(C)CCC(=O)C[C@@H](C)CC 1458a_200000688413_100009816398 [0,2,0,0,0,0|1,0,0]=3 7055 B11R0.93 C=C(C)CCC(=O)C[C@@H](C)CO 1458a_200000688413_100000059175 [0,2,0,0,0,0|2,0,0]=4 7056 B11R0.93 C=C(C)CCC(=O)NC(C)CC 11a_100000209981_200000688413 [0,2,0,0,0,0|2,0,0]=4 7057 B11R0.93 C=C(C)CCC(=O)NC(C)CC 1626a_100000209981_200000688413 [0,2,0,0,0,0|2,0,0]=4 7058 B11R0.93 C=C(C)CCC(=O)NC(C)CC 240690a_100000209981_200000688413 [0,2,0,0,0,0|2,0,0]=4 7059 B11R0.93 C=C(C)CCC(=O)NC(C)CC 527a_100000209981_200000688413 [0,2,0,0,0,0|2,0,0]=4 7060 B11R0.93 C=C(C)CNC(=O)CC(C)CC 11a_100000765925_100000708755 [0,2,0,0,0,0|1,0,0]=3 7061 B11R0.93 C=C(C)CNC(=O)CC(C)CC 1626a_100000765925_100000708755 [0,2,0,0,0,0|1,0,0]=3 7062 B11R0.93 C=C(C)CNC(=O)CC(C)CC 240690a_100000765925_100000708755 [0,2,0,0,0,0|1,0,0]=3 7063 B11R0.93 C=C(C)CNC(=O)CC(C)CC 527a_100000765925_100000708755 [0,2,0,0,0,0|1,0,0]=3 7064 B11R0.93 C=C(C)CNC(=O)CC(O)CC 1626a_100000765925_100011667805 [0,2,0,0,0,0|2,0,0]=4 7065 B11R0.93 C=C(C)CNC(=O)CC(O)CC 240690a_100000765925_100011667805 [0,2,0,0,0,0|2,0,0]=4 7066 B11R0.93 C=C(C)CNC(=O)CN(C)CC 240690a_100000765925_100116209913 [0,2,0,0,0,0|2,0,0]=4 7067 B11R0.93 C=C(C)CNC(=O)CN(C)CC 527a_100000765925_100116209913 [0,2,0,0,0,0|2,0,0]=4 7068 B11R0.93 C=C(C)CNC(=O)NC(C)CC 2708a_100000209981_100000765925 [0,2,0,0,0,0|2,0,0]=4 7069 B11R0.93 C=C(C)CNC(=O)NC(C)CC 2708a_100000765925_100000209981 [0,2,0,0,0,0|2,0,0]=4 7070 B11R0.93 C=C(C)CNC(=O)NC(C)CC 273464a_100000209981_100000765925 [0,2,0,0,0,0|2,0,0]=4 7071 B11R0.93 C=C(C)CNC(=O)NC(C)CC 273464a_100000765925_100000209981 [0,2,0,0,0,0|2,0,0]=4 7072 B11R0.93 C=C(C)CNC(=O)NC(C)CC 512a_100000209981_100000765925 [0,2,0,0,0,0|2,0,0]=4 7073 B11R0.93 C=C(C)CNC(=O)NC(C)CC 512a_100000765925_100000209981 [0,2,0,0,0,0|2,0,0]=4 7074 B11R0.93 CC(=O)OCC(=O)C[C@@H](C)CO 1458a_100000183556_100000059175 [0,2,0,0,0,0|1,0,1]=4 7075 B11R0.93 CC(C)C=CC(=O)C[C@@H](C)CO 1458a_100016268746_100000059175 [0,2,0,0,0,0|2,0,0]=4 7076 B11R0.93 CC(C)CCC(=O)C[C@@H](C)CO 1458a_100000181311_100000059175 [0,2,0,0,0,0|2,0,0]=4 7077 B11R0.93 CC(C)OCC(=O)C[C@@H](C)CO 1458a_100000745533_100000059175 [0,2,0,0,0,0|1,0,0]=3 7078 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 11a_100102880703_100000745533 [0,2,0,0,0,0|2,0,0]=4 7079 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 1626a_100102880703_100000745533 [0,2,0,0,0,0|2,0,0]=4 7080 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 240690a_100102880703_100000745533 [0,2,0,0,0,0|2,0,0]=4 7081 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 527a_100102880703_100000745533 [0,2,0,0,0,0|2,0,0]=4 7082 B11R0.93 CC(C)OCC(=O)N[C@H](C)CO 240690a_100000737577_100000745533 [0,2,0,0,0,0|2,0,0]=4 7083 B11R0.93 CC(C)OCC(=O)N[C@H](C)CO 527a_100000737577_100000745533 [0,2,0,0,0,0|2,0,0]=4 7084 B11R0.93 CC(C)SCC(=O)C[C@@H](C)CO 1458a_100000241585_100000059175 [0,2,0,0,0,0|1,1,0]=4 7085 B11R0.93 CCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747405 [0,2,0,0,0,0|1,0,1]=4 7086 B11R0.93 CCC(C)CC(=NNC(C)C)C 4a_100000741168_100011710205 [0,2,0,0,0,0|2,0,0]=4 7087 B11R0.93 CCC(C)CC(=O)C=CC(C)C 1458a_100016268746_100000748023 [0,2,0,0,0,0|1,0,0]=3 7088 B11R0.93 CCC(C)CC(=O)CC=C(C)C 1458a_100000708755_100000761012 [0,2,0,0,0,0|1,0,1]=4 7089 B11R0.93 CCC(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748023 [0,2,0,0,0,0|1,0,1]=4 7090 B11R0.93 CCC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748023 [0,2,0,0,0,0|1,0,1]=4 7091 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000181311_100000748023 [0,2,0,0,0,0|1,0,0]=3 7092 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000708755_100000210312 [0,2,0,0,0,0|1,0,0]=3 7093 B11R0.93 CCC(C)CC(=O)CCC(C)O 1458a_100000708755_100012276601 [0,2,0,0,0,0|1,0,0]=3 7094 B11R0.93 CCC(C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000748023 [0,2,0,0,0,0|2,0,0]=4 7095 B11R0.93 CCC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748023 [0,2,0,0,0,0|1,0,0]=3 7096 B11R0.93 CCC(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748023 [0,2,0,0,0,0|1,0,1]=4 7097 B11R0.93 CCC(C)CC(=O)COC(=O)C 1458a_100000183556_100000748023 [0,2,0,0,0,0|0,0,1]=3 7098 B11R0.93 CCC(C)CC(=O)COC(C)C 1458a_100000745533_100000748023 [0,2,0,0,0,0|0,0,0]=2 7099 B11R0.93 CCC(C)CC(=O)COC(F)F 1458a_200000719455_100000748023 [0,2,0,0,0,0|1,0,0]=3 7100 B11R0.93 CCC(C)CC(=O)CSC(=O)C 1458a_100000049016_100000748023 [0,2,0,0,0,0|0,1,1]=4 7101 B11R0.93 CCC(C)CC(=O)CSC(C)C 1458a_100000241585_100000748023 [0,2,0,0,0,0|0,1,0]=3 7102 B11R0.93 CCC(C)CC(=O)CSC(F)F 1458a_114828291038_100000748023 [0,2,0,0,0,0|1,1,0]=4 7103 B11R0.93 CCC(C)CC(=O)NCC(=O)N 11a_100000711301_100000708755 [0,2,0,0,0,0|1,0,1]=4 7104 B11R0.93 CCC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000708755 [0,2,0,0,0,0|1,0,1]=4 7105 B11R0.93 CCC(C)CC(=O)NCC(=O)N 527a_100000711301_100000708755 [0,2,0,0,0,0|1,0,1]=4 7106 B11R0.93 CCC(C)CC(=O)NCC(C)C 11a_100000210953_100000708755 [0,2,0,0,0,0|1,0,0]=3 7107 B11R0.93 CCC(C)CC(=O)NCC(C)C 1626a_100000210953_100000708755 [0,2,0,0,0,0|1,0,0]=3 7108 B11R0.93 CCC(C)CC(=O)NCC(C)C 240690a_100000210953_100000708755 [0,2,0,0,0,0|1,0,0]=3 7109 B11R0.93 CCC(C)CC(=O)NCC(C)C 527a_100000210953_100000708755 [0,2,0,0,0,0|1,0,0]=3 7110 B11R0.93 CCC(C)CC(=O)NCC(C)O 11a_100000210904_100000708755 [0,2,0,0,0,0|1,0,0]=3 7111 B11R0.93 CCC(C)CC(=O)NCC(C)O 240690a_100000210904_100000708755 [0,2,0,0,0,0|1,0,0]=3 7112 B11R0.93 CCC(C)CC(=O)NCC(C)O 527a_100000210904_100000708755 [0,2,0,0,0,0|1,0,0]=3 7113 B11R0.93 CCC(C)CC(=O)NCC(F)F 11a_100000765723_100000708755 [0,2,0,0,0,0|1,0,0]=3 7114 B11R0.93 CCC(C)CC(=O)NCC(F)F 1626a_100000765723_100000708755 [0,2,0,0,0,0|1,0,0]=3 7115 B11R0.93 CCC(C)CC(=O)NCC(F)F 240690a_100000765723_100000708755 [0,2,0,0,0,0|1,0,0]=3 7116 B11R0.93 CCC(C)CC(=O)NCC(F)F 527a_100000765723_100000708755 [0,2,0,0,0,0|1,0,0]=3 7117 B11R0.93 CCC(C)CC(=O)NNC(=O)C 22a_100000189765_100000708755 [0,2,0,0,0,0|1,0,1]=4 7118 B11R0.93 CCC(C)CC(=O)NNC(C)C 22a_100000741168_100000708755 [0,2,0,0,0,0|1,0,0]=3 7119 B11R0.93 CCC(C)CN(C)COC(C)C 2230a_100000753921_100000709892 [0,2,0,0,0,0|2,0,0]=4 7120 B11R0.93 CCC(C)CN(C)COC(C)C 269982a_100000753921_100000709892 [0,2,0,0,0,0|2,0,0]=4 7121 B11R0.93 CCC(C)NC(=O)C=CC(C)C 11a_100000209981_100016268746 [0,2,0,0,0,0|2,0,0]=4 7122 B11R0.93 CCC(C)NC(=O)C=CC(C)C 1626a_100000209981_100016268746 [0,2,0,0,0,0|2,0,0]=4 7123 B11R0.93 CCC(C)NC(=O)C=CC(C)C 240690a_100000209981_100016268746 [0,2,0,0,0,0|2,0,0]=4 7124 B11R0.93 CCC(C)NC(=O)CCC(C)C 11a_100000209981_100000181311 [0,2,0,0,0,0|2,0,0]=4 7125 B11R0.93 CCC(C)NC(=O)CCC(C)C 1626a_100000209981_100000181311 [0,2,0,0,0,0|2,0,0]=4 7126 B11R0.93 CCC(C)NC(=O)CCC(C)C 240690a_100000209981_100000181311 [0,2,0,0,0,0|2,0,0]=4 7127 B11R0.93 CCC(C)NC(=O)CCC(C)C 527a_100000209981_100000181311 [0,2,0,0,0,0|2,0,0]=4 7128 B11R0.93 CCC(C)NC(=O)CCC(C)O 1626a_100000209981_100000718519 [0,2,0,0,0,0|2,0,0]=4 7129 B11R0.93 CCC(C)NC(=O)CCN(C)C 11a_100000209981_100000689311 [0,2,0,0,0,0|2,0,0]=4 7130 B11R0.93 CCC(C)NC(=O)CCN(C)C 240690a_100000209981_100000689311 [0,2,0,0,0,0|2,0,0]=4 7131 B11R0.93 CCC(C)NC(=O)CCN(C)C 527a_100000209981_100000689311 [0,2,0,0,0,0|2,0,0]=4 7132 B11R0.93 CCC(C)NC(=O)CC[S+](C)C 11a_100000209981_100009452791 [0,2,0,0,0,0|2,0,0]=4 7133 B11R0.93 CCC(C)NC(=O)CC[S+](C)C 1626a_100000209981_100009452791 [0,2,0,0,0,0|2,0,0]=4 7134 B11R0.93 CCC(C)NC(=O)CC[S+](C)C 240690a_100000209981_100009452791 [0,2,0,0,0,0|2,0,0]=4 7135 B11R0.93 CCC(C)NC(=O)CNC(C)C 2230a_100138425928_100000182745 [0,2,0,0,0,0|2,0,0]=4 7136 B11R0.93 CCC(C)NC(=O)CNC(C)C 34a_100138425928_100000182745 [0,2,0,0,0,0|2,0,0]=4 7137 B11R0.93 CCC(C)NC(=O)COC(=O)C 1626a_100000209981_100000183556 [0,2,0,0,0,0|1,0,1]=4 7138 B11R0.93 CCC(C)NC(=O)COC(=O)C 240690a_100000209981_100000183556 [0,2,0,0,0,0|1,0,1]=4 7139 B11R0.93 CCC(C)NC(=O)COC(=O)C 527a_100000209981_100000183556 [0,2,0,0,0,0|1,0,1]=4 7140 B11R0.93 CCC(C)NC(=O)COC(C)C 11a_100000209981_100000745533 [0,2,0,0,0,0|1,0,0]=3 7141 B11R0.93 CCC(C)NC(=O)COC(C)C 1626a_100000209981_100000745533 [0,2,0,0,0,0|1,0,0]=3 7142 B11R0.93 CCC(C)NC(=O)COC(C)C 240690a_100000209981_100000745533 [0,2,0,0,0,0|1,0,0]=3 7143 B11R0.93 CCC(C)NC(=O)COC(C)C 34a_100000212225_100000182745 [0,2,0,0,0,0|1,0,0]=3 7144 B11R0.93 CCC(C)NC(=O)COC(C)C 527a_100000209981_100000745533 [0,2,0,0,0,0|1,0,0]=3 7145 B11R0.93 CCC(C)NC(=O)COC(F)F 11a_100000209981_200000719455 [0,2,0,0,0,0|2,0,0]=4 7146 B11R0.93 CCC(C)NC(=O)COC(F)F 1626a_100000209981_200000719455 [0,2,0,0,0,0|2,0,0]=4 7147 B11R0.93 CCC(C)NC(=O)COC(F)F 240690a_100000209981_200000719455 [0,2,0,0,0,0|2,0,0]=4 7148 B11R0.93 CCC(C)NC(=O)COC(F)F 527a_100000209981_200000719455 [0,2,0,0,0,0|2,0,0]=4 7149 B11R0.93 CCC(C)NC(=O)CSC(C)C 11a_100000209981_100000241585 [0,2,0,0,0,0|1,1,0]=4 7150 B11R0.93 CCC(C)NC(=O)CSC(C)C 1626a_100000209981_100000241585 [0,2,0,0,0,0|1,1,0]=4 7151 B11R0.93 CCC(C)NC(=O)CSC(C)C 240690a_100000209981_100000241585 [0,2,0,0,0,0|1,1,0]=4 7152 B11R0.93 CCC(C)NC(=O)CSC(C)C 527a_100000209981_100000241585 [0,2,0,0,0,0|1,1,0]=4 7153 B11R0.93 CCC(C)NC(=O)CSC(C)C 62a_100000182745_100000210206 [0,2,0,0,0,0|1,1,0]=4 7154 B11R0.93 CCC(C)NC(=O)CSC(C)C 62a_100000210206_100000182745 [0,2,0,0,0,0|1,1,0]=4 7155 B11R0.93 CCC(C)NC(=O)NCC(C)C 2708a_100000209981_100000210953 [0,2,0,0,0,0|2,0,0]=4 7156 B11R0.93 CCC(C)NC(=O)NCC(C)C 2708a_100000210953_100000209981 [0,2,0,0,0,0|2,0,0]=4 7157 B11R0.93 CCC(C)NC(=O)NCC(C)C 273464a_100000209981_100000210953 [0,2,0,0,0,0|2,0,0]=4 7158 B11R0.93 CCC(C)NC(=O)NCC(C)C 273464a_100000210953_100000209981 [0,2,0,0,0,0|2,0,0]=4 7159 B11R0.93 CCC(C)NC(=O)NCC(C)C 512a_100000209981_100000210953 [0,2,0,0,0,0|2,0,0]=4 7160 B11R0.93 CCC(C)NC(=O)NCC(C)C 512a_100000210953_100000209981 [0,2,0,0,0,0|2,0,0]=4 7161 B11R0.93 CCC(C)NC(=O)NCC(C)O 2708a_100000209981_100000210904 [0,2,0,0,0,0|2,0,0]=4 7162 B11R0.93 CCC(C)NC(=O)NCC(C)O 273464a_100000209981_100000210904 [0,2,0,0,0,0|2,0,0]=4 7163 B11R0.93 CCC(C)NC(=O)NCC(C)O 273464a_100000210904_100000209981 [0,2,0,0,0,0|2,0,0]=4 7164 B11R0.93 CCC(C)NC(=O)NCC(C)O 512a_100000209981_100000210904 [0,2,0,0,0,0|2,0,0]=4 7165 B11R0.93 CCC(C)NC(=O)NCC(C)O 512a_100000210904_100000209981 [0,2,0,0,0,0|2,0,0]=4 7166 B11R0.93 CCC(C)NC(=O)NCC(F)F 2708a_100000209981_100000765723 [0,2,0,0,0,0|2,0,0]=4 7167 B11R0.93 CCC(C)NC(=O)NCC(F)F 273464a_100000209981_100000765723 [0,2,0,0,0,0|2,0,0]=4 7168 B11R0.93 CCC(C)NC(=O)NCC(F)F 273464a_100000765723_100000209981 [0,2,0,0,0,0|2,0,0]=4 7169 B11R0.93 CCC(C)NC(=O)NCC(F)F 512a_100000209981_100000765723 [0,2,0,0,0,0|2,0,0]=4 7170 B11R0.93 CCC(C)NC(=O)NCC(F)F 512a_100000765723_100000209981 [0,2,0,0,0,0|2,0,0]=4 7171 B11R0.93 CCC(C)NC(=O)NNC(C)C 273464a_100000209981_100000741168 [0,2,0,0,0,0|2,0,0]=4 7172 B11R0.93 CCC(C)NC(=O)NNC(C)C 512a_100000209981_100000741168 [0,2,0,0,0,0|2,0,0]=4 7173 B11R0.93 CCC(C)NC(=O)NNC(C)C 512a_100000741168_100000209981 [0,2,0,0,0,0|2,0,0]=4 7174 B11R0.93 CCC(O)CC(=O)C=CC(C)C 1458a_100016268746_100011218378 [0,2,0,0,0,0|2,0,0]=4 7175 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100000181311_100011218378 [0,2,0,0,0,0|2,0,0]=4 7176 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100011667805_100000210312 [0,2,0,0,0,0|2,0,0]=4 7177 B11R0.93 CCC(O)CC(=O)CCC(C)O 1458a_100011667805_100012276601 [0,2,0,0,0,0|2,0,0]=4 7178 B11R0.93 CCC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218378 [0,2,0,0,0,0|2,0,0]=4 7179 B11R0.93 CCC(O)CC(=O)COC(=O)C 1458a_100000183556_100011218378 [0,2,0,0,0,0|1,0,1]=4 7180 B11R0.93 CCC(O)CC(=O)COC(C)C 1458a_100000745533_100011218378 [0,2,0,0,0,0|1,0,0]=3 7181 B11R0.93 CCC(O)CC(=O)COC(F)F 1458a_200000719455_100011218378 [0,2,0,0,0,0|2,0,0]=4 7182 B11R0.93 CCC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218378 [0,2,0,0,0,0|1,1,0]=4 7183 B11R0.93 CCC(O)CC(=O)NCC(C)C 1626a_100000210953_100011667805 [0,2,0,0,0,0|2,0,0]=4 7184 B11R0.93 CCC(O)CC(=O)NCC(C)C 240690a_100000210953_100011667805 [0,2,0,0,0,0|2,0,0]=4 7185 B11R0.93 CCC(O)CC(=O)NCC(C)O 240690a_100000210904_100011667805 [0,2,0,0,0,0|2,0,0]=4 7186 B11R0.93 CCC(O)CC(=O)NCC(F)F 1626a_100000765723_100011667805 [0,2,0,0,0,0|2,0,0]=4 7187 B11R0.93 CCC(O)CC(=O)NCC(F)F 240690a_100000765723_100011667805 [0,2,0,0,0,0|2,0,0]=4 7188 B11R0.93 CCC(O)CC(=O)NNC(C)C 22a_100000741168_100011667805 [0,2,0,0,0,0|2,0,0]=4 7189 B11R0.93 CCN(C)CC(=O)CCC(C)C 1458a_100116209913_100000210312 [0,2,0,0,0,0|2,0,0]=4 7190 B11R0.93 CCN(C)CC(=O)CCC(C)O 1458a_100116209913_100012276601 [0,2,0,0,0,0|2,0,0]=4 7191 B11R0.93 CCN(C)CC(=O)COC(=O)C 269982a_100000225621_100000036994 [0,2,0,0,0,0|1,0,1]=4 7192 B11R0.93 CCN(C)CC(=O)NCC(C)C 2230a_100000225621_100000183291 [0,2,0,0,0,0|2,0,0]=4 7193 B11R0.93 CCN(C)CC(=O)NCC(C)C 240690a_100000210953_100116209913 [0,2,0,0,0,0|2,0,0]=4 7194 B11R0.93 CCN(C)CC(=O)NCC(C)C 269982a_100000225621_100000183291 [0,2,0,0,0,0|2,0,0]=4 7195 B11R0.93 CCN(C)CC(=O)NCC(C)C 527a_100000210953_100116209913 [0,2,0,0,0,0|2,0,0]=4 7196 B11R0.93 CCN(C)CC(=O)NCC(C)O 240690a_100000210904_100116209913 [0,2,0,0,0,0|2,0,0]=4 7197 B11R0.93 CCN(C)CC(=O)NCC(C)O 527a_100000210904_100116209913 [0,2,0,0,0,0|2,0,0]=4 7198 B11R0.93 CCN(C)CC(=O)NCC(F)F 240690a_100000765723_100116209913 [0,2,0,0,0,0|2,0,0]=4 7199 B11R0.93 CCN(C)CC(=O)NCC(F)F 527a_100000765723_100116209913 [0,2,0,0,0,0|2,0,0]=4 7200 B11R0.93 CCN(C)CC(=O)NNC(C)C 22a_100000741168_100116209913 [0,2,0,0,0,0|2,0,0]=4 7201 B11R0.93 CC[C@H](C)CC(=O)C=CC(C)C 1458a_100016268746_100009816398 [0,2,0,0,0,0|1,0,0]=3 7202 B11R0.93 CC[C@H](C)CC(=O)CC=C(C)C 1458a_100011220947_100009816398 [0,2,0,0,0,0|1,0,1]=4 7203 B11R0.93 CC[C@H](C)CC(=O)CCC(=O)N 1458a_100011215257_100009816398 [0,2,0,0,0,0|1,0,1]=4 7204 B11R0.93 CC[C@H](C)CC(=O)CCC(C)C 1458a_100000181311_100009816398 [0,2,0,0,0,0|1,0,0]=3 7205 B11R0.93 CC[C@H](C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100009816398 [0,2,0,0,0,0|2,0,0]=4 7206 B11R0.93 CC[C@H](C)CC(=O)CC[S+](C)C 1458a_100009452791_100009816398 [0,2,0,0,0,0|1,0,0]=3 7207 B11R0.93 CC[C@H](C)CC(=O)CNC(=O)C 1458a_100000194580_100009816398 [0,2,0,0,0,0|1,0,1]=4 7208 B11R0.93 CC[C@H](C)CC(=O)COC(=O)C 1458a_100000183556_100009816398 [0,2,0,0,0,0|0,0,1]=3 7209 B11R0.93 CC[C@H](C)CC(=O)COC(C)C 1458a_100000745533_100009816398 [0,2,0,0,0,0|0,0,0]=2 7210 B11R0.93 CC[C@H](C)CC(=O)COC(F)F 1458a_200000719455_100009816398 [0,2,0,0,0,0|1,0,0]=3 7211 B11R0.93 CC[C@H](C)CC(=O)CSC(=O)C 1458a_100000049016_100009816398 [0,2,0,0,0,0|0,1,1]=4 7212 B11R0.93 CC[C@H](C)CC(=O)CSC(C)C 1458a_100000241585_100009816398 [0,2,0,0,0,0|0,1,0]=3 7213 B11R0.93 CC[C@H](C)CC(=O)CSC(F)F 1458a_114828291038_100009816398 [0,2,0,0,0,0|1,1,0]=4 7214 B11R0.93 C[C@@H](CO)CC(=O)CC[S+](C)C 1458a_100009452791_100000059175 [0,2,0,0,0,0|2,0,0]=4 7215 B11R0.93 C[C@@H](CO)CC(=O)COC(F)F 1458a_200000719455_100000059175 [0,2,0,0,0,0|2,0,0]=4 7216 B11R0.110 C#CC(C)NC(=O)CC(C)CC 11a_100000707721_100000708755 [0,2,0,0,0,0|1,0,0]=3 7217 B11R0.110 C#CC(C)NC(=O)CC(C)CC 1626a_100000707721_100000708755 [0,2,0,0,0,0|1,0,0]=3 7218 B11R0.110 C#CC(C)NC(=O)CC(C)CC 240690a_100000707721_100000708755 [0,2,0,0,0,0|1,0,0]=3 7219 B11R0.110 C#CC(C)NC(=O)CC(C)CC 527a_100000707721_100000708755 [0,2,0,0,0,0|1,0,0]=3 7220 B11R0.110 C#CC(C)NC(=O)CC(O)CC 1626a_100000707721_100011667805 [0,2,0,0,0,0|2,0,0]=4 7221 B11R0.110 C#CC(C)NC(=O)CC(O)CC 240690a_100000707721_100011667805 [0,2,0,0,0,0|2,0,0]=4 7222 B11R0.110 C#CC(C)NC(=O)CN(C)CC 240690a_100000707721_100116209913 [0,2,0,0,0,0|2,0,0]=4 7223 B11R0.110 C#CC(C)NC(=O)CN(C)CC 527a_100000707721_100116209913 [0,2,0,0,0,0|2,0,0]=4 7224 B11R0.110 C#CC(C)NC(=O)NC(C)CC 2708a_100000209981_100000707721 [0,2,0,0,0,0|2,0,0]=4 7225 B11R0.110 C#CC(C)NC(=O)NC(C)CC 2708a_100000707721_100000209981 [0,2,0,0,0,0|2,0,0]=4 7226 B11R0.110 C#CC(C)NC(=O)NC(C)CC 273464a_100000209981_100000707721 [0,2,0,0,0,0|2,0,0]=4 7227 B11R0.110 C#CC(C)NC(=O)NC(C)CC 273464a_100000707721_100000209981 [0,2,0,0,0,0|2,0,0]=4 7228 B11R0.110 C#CC(C)NC(=O)NC(C)CC 512a_100000209981_100000707721 [0,2,0,0,0,0|2,0,0]=4 7229 B11R0.110 C#CC(C)NC(=O)NC(C)CC 512a_100000707721_100000209981 [0,2,0,0,0,0|2,0,0]=4 7230 B11R0.110 C=CC(C)CC(=O)CC(C)CC 1458a_100011934298_100000748023 [0,2,0,0,0,0|1,0,0]=3 7231 B11R0.110 C=CC(C)CC(=O)CC(O)CC 1458a_100011934298_100011218378 [0,2,0,0,0,0|2,0,0]=4 7232 B11R0.110 C=CC(C)CC(=O)C[C@@H](C)CC 1458a_100011934298_100009816398 [0,2,0,0,0,0|1,0,0]=3 7233 B11R0.110 C=CC(C)CC(=O)C[C@@H](C)CO 1458a_100011934298_100000059175 [0,2,0,0,0,0|2,0,0]=4 7234 B11R0.110 C=CC(C)CC(=O)NC(C)CC 11a_100000209981_100011934298 [0,2,0,0,0,0|2,0,0]=4 7235 B11R0.110 C=CC(C)CC(=O)NC(C)CC 1626a_100000209981_100011934298 [0,2,0,0,0,0|2,0,0]=4 7236 B11R0.110 C=CC(C)CC(=O)NC(C)CC 240690a_100000209981_100011934298 [0,2,0,0,0,0|2,0,0]=4 7237 B11R0.110 C=CC(C)CC(=O)NC(C)CC 527a_100000209981_100011934298 [0,2,0,0,0,0|2,0,0]=4 7238 B11R0.110 CCC(=CC(=O)CC(C)CC)C 1458a_100020758463_100000748023 [0,2,0,0,0,0|1,0,0]=3 7239 B11R0.110 CCC(=CC(=O)CC(O)CC)C 1458a_100020758463_100011218378 [0,2,0,0,0,0|2,0,0]=4 7240 B11R0.110 CCC(=CC(=O)C[C@@H](C)CC)C 1458a_100020758463_100009816398 [0,2,0,0,0,0|1,0,0]=3 7241 B11R0.110 CCC(=CC(=O)C[C@@H](C)CO)C 1458a_100020758463_100000059175 [0,2,0,0,0,0|2,0,0]=4 7242 B11R0.110 CCC(=CC(=O)NC(C)CC)C 11a_100000209981_100020758463 [0,2,0,0,0,0|2,0,0]=4 7243 B11R0.110 CCC(=CC(=O)NC(C)CC)C 1626a_100000209981_100020758463 [0,2,0,0,0,0|2,0,0]=4 7244 B11R0.110 CCC(=CC(=O)NC(C)CC)C 240690a_100000209981_100020758463 [0,2,0,0,0,0|2,0,0]=4 7245 B11R0.110 CCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747405 [0,2,0,0,0,0|1,0,0]=3 7246 B11R0.110 CCC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000747405 [0,2,0,0,0,0|2,0,0]=4 7247 B11R0.110 CCC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000747405 [0,2,0,0,0,0|2,0,0]=4 7248 B11R0.110 CCC(=O)CC(=O)NC(C)CC 1458a_100000210414_100000182745 [0,2,0,0,0,0|2,0,0]=4 7249 B11R0.110 CCC(C)CC(=O)CC(=O)NC 1458a_100000708755_100000183359 [0,2,0,0,0,0|1,0,1]=4 7250 B11R0.110 CCC(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748023 [0,2,0,0,0,0|1,0,1]=4 7251 B11R0.110 CCC(C)CC(=O)CC(=O)OC 1458a_100000708755_100000747449 [0,2,0,0,0,0|1,0,1]=4 7252 B11R0.110 CCC(C)CC(=O)CC(C)CC 1458a_100000708755_100000748023 [0,2,0,0,0,0|1,0,0]=3 7253 B11R0.110 CCC(C)CC(=O)CC(O)CC 1458a_100000708755_100011218378 [0,2,0,0,0,0|1,0,0]=3 7254 B11R0.110 CCC(C)CC(=O)CC(O)CC 1458a_100011667805_100000748023 [0,2,0,0,0,0|1,0,0]=3 7255 B11R0.110 CCC(C)CC(=O)CN(C)CC 1458a_100116209913_100000748023 [0,2,0,0,0,0|1,0,0]=3 7256 B11R0.110 CCC(C)CC(=O)C[C@@H](C)CC 1458a_100000708755_100009816398 [0,2,0,0,0,0|1,0,0]=3 7257 B11R0.110 CCC(C)CC(=O)C[C@@H](C)CO 1458a_100000708755_100000059175 [0,2,0,0,0,0|1,0,0]=3 7258 B11R0.110 CCC(C)CC(=O)NC(C)C#N 11a_100000737613_100000708755 [0,2,0,0,0,0|1,0,0]=3 7259 B11R0.110 CCC(C)CC(=O)NC(C)C#N 1626a_100000737613_100000708755 [0,2,0,0,0,0|1,0,0]=3 7260 B11R0.110 CCC(C)CC(=O)NC(C)C#N 527a_100000737613_100000708755 [0,2,0,0,0,0|1,0,0]=3 7261 B11R0.110 CCC(C)CC(=O)NC(C)CC 11a_100000209981_100000708755 [0,2,0,0,0,0|1,0,0]=3 7262 B11R0.110 CCC(C)CC(=O)NC(C)CC 1626a_100000209981_100000708755 [0,2,0,0,0,0|1,0,0]=3 7263 B11R0.110 CCC(C)CC(=O)NC(C)CC 240690a_100000209981_100000708755 [0,2,0,0,0,0|1,0,0]=3 7264 B11R0.110 CCC(C)CC(=O)NC(C)CC 527a_100000209981_100000708755 [0,2,0,0,0,0|1,0,0]=3 7265 B11R0.110 CCC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000708755 [0,2,0,0,0,0|1,0,0]=3 7266 B11R0.110 CCC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000708755 [0,2,0,0,0,0|1,0,0]=3 7267 B11R0.110 CCC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000708755 [0,2,0,0,0,0|1,0,0]=3 7268 B11R0.110 CCC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000708755 [0,2,0,0,0,0|1,0,0]=3 7269 B11R0.110 CCC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000708755 [0,2,0,0,0,0|1,0,0]=3 7270 B11R0.110 CCC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000708755 [0,2,0,0,0,0|1,0,0]=3 7271 B11R0.110 CCC(C)NC(=O)CN(C)CC 2230a_100000225621_100000182745 [0,2,0,0,0,0|2,0,0]=4 7272 B11R0.110 CCC(C)NC(=O)CN(C)CC 240690a_100000209981_100116209913 [0,2,0,0,0,0|2,0,0]=4 7273 B11R0.110 CCC(C)NC(=O)CN(C)CC 269982a_100000225621_100000182745 [0,2,0,0,0,0|2,0,0]=4 7274 B11R0.110 CCC(C)NC(=O)CN(C)CC 527a_100000209981_100116209913 [0,2,0,0,0,0|2,0,0]=4 7275 B11R0.110 CCC(C)NC(=O)NC(C)C#N 2708a_100000209981_100000737613 [0,2,0,0,0,0|2,0,0]=4 7276 B11R0.110 CCC(C)NC(=O)NC(C)C#N 2708a_100000737613_100000209981 [0,2,0,0,0,0|2,0,0]=4 7277 B11R0.110 CCC(C)NC(=O)NC(C)C#N 273464a_100000209981_100000737613 [0,2,0,0,0,0|2,0,0]=4 7278 B11R0.110 CCC(C)NC(=O)NC(C)C#N 273464a_100000737613_100000209981 [0,2,0,0,0,0|2,0,0]=4 7279 B11R0.110 CCC(C)NC(=O)NC(C)C#N 512a_100000209981_100000737613 [0,2,0,0,0,0|2,0,0]=4 7280 B11R0.110 CCC(C)NC(=O)NC(C)C#N 512a_100000737613_100000209981 [0,2,0,0,0,0|2,0,0]=4 7281 B11R0.110 CCC(C)NC(=O)NC(C)CC 2708a_100000209981_100000209981 [0,2,0,0,0,0|2,0,0]=4 7282 B11R0.110 CCC(C)NC(=O)NC(C)CC 273464a_100000209981_100000209981 [0,2,0,0,0,0|2,0,0]=4 7283 B11R0.110 CCC(C)NC(=O)NC(C)CC 512a_100000209981_100000209981 [0,2,0,0,0,0|2,0,0]=4 7284 B11R0.110 CCC(C)NC(=O)N[C@H](C)CF 2708a_100000209981_100102880703 [0,2,0,0,0,0|2,0,0]=4 7285 B11R0.110 CCC(C)NC(=O)N[C@H](C)CF 273464a_100000209981_100102880703 [0,2,0,0,0,0|2,0,0]=4 7286 B11R0.110 CCC(C)NC(=O)N[C@H](C)CF 273464a_100102880703_100000209981 [0,2,0,0,0,0|2,0,0]=4 7287 B11R0.110 CCC(C)NC(=O)N[C@H](C)CF 512a_100000209981_100102880703 [0,2,0,0,0,0|2,0,0]=4 7288 B11R0.110 CCC(C)NC(=O)N[C@H](C)CF 512a_100102880703_100000209981 [0,2,0,0,0,0|2,0,0]=4 7289 B11R0.110 CCC(C)NC(=O)N[C@H](C)CO 2708a_100000209981_100000737577 [0,2,0,0,0,0|2,0,0]=4 7290 B11R0.110 CCC(C)NC(=O)N[C@H](C)CO 273464a_100000737577_100000209981 [0,2,0,0,0,0|2,0,0]=4 7291 B11R0.110 CCC(C)NC(=O)N[C@H](C)CO 512a_100000209981_100000737577 [0,2,0,0,0,0|2,0,0]=4 7292 B11R0.110 CCC(C)NC(=O)N[C@H](C)CO 512a_100000737577_100000209981 [0,2,0,0,0,0|2,0,0]=4 7293 B11R0.110 CCC(O)CC(=O)CC(O)CC 1458a_100011667805_100011218378 [0,2,0,0,0,0|2,0,0]=4 7294 B11R0.110 CCC(O)CC(=O)CN(C)CC 1458a_100116209913_100011218378 [0,2,0,0,0,0|2,0,0]=4 7295 B11R0.110 CCC(O)CC(=O)C[C@@H](C)CC 1458a_100011667805_100009816398 [0,2,0,0,0,0|1,0,0]=3 7296 B11R0.110 CCC(O)CC(=O)C[C@@H](C)CO 1458a_100011667805_100000059175 [0,2,0,0,0,0|2,0,0]=4 7297 B11R0.110 CCC(O)CC(=O)NC(C)C#N 1626a_100000737613_100011667805 [0,2,0,0,0,0|2,0,0]=4 7298 B11R0.110 CCC(O)CC(=O)NC(C)CC 1626a_100000209981_100011667805 [0,2,0,0,0,0|2,0,0]=4 7299 B11R0.110 CCC(O)CC(=O)NC(C)CC 240690a_100000209981_100011667805 [0,2,0,0,0,0|2,0,0]=4 7300 B11R0.110 CCC(O)CC(=O)N[C@H](C)CF 1626a_100102880703_100011667805 [0,2,0,0,0,0|2,0,0]=4 7301 B11R0.110 CCC(O)CC(=O)N[C@H](C)CF 240690a_100102880703_100011667805 [0,2,0,0,0,0|2,0,0]=4 7302 B11R0.110 CCC(O)CC(=O)N[C@H](C)CO 240690a_100000737577_100011667805 [0,2,0,0,0,0|2,0,0]=4 7303 B11R0.110 CCN(C)CC(=O)C[C@@H](C)CO 1458a_100116209913_100000059175 [0,2,0,0,0,0|2,0,0]=4 7304 B11R0.110 CCN(C)CC(=O)NC(C)C#N 527a_100000737613_100116209913 [0,2,0,0,0,0|2,0,0]=4 7305 B11R0.110 CCN(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100116209913 [0,2,0,0,0,0|2,0,0]=4 7306 B11R0.110 CCN(C)CC(=O)N[C@H](C)CF 527a_100102880703_100116209913 [0,2,0,0,0,0|2,0,0]=4 7307 B11R0.110 CCN(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100116209913 [0,2,0,0,0,0|2,0,0]=4 7308 B11R0.110 CCN(C)CC(=O)N[C@H](C)CO 527a_100000737577_100116209913 [0,2,0,0,0,0|2,0,0]=4 7309 B11R0.110 CC[C@H](C)CC(=O)CC(=O)OC 1458a_100000211351_100009816398 [0,2,0,0,0,0|1,0,1]=4 7310 B11R0.110 CC[C@H](C)CC(=O)CN(C)CC 1458a_100116209913_100009816398 [0,2,0,0,0,0|1,0,0]=3 7311 B11R0.154 C#CCCCC(=O)CC(C)CC 1458a_100000690238_100000748023 [0,2,0,0,0,0|1,0,0]=3 7312 B11R0.154 C#CCCCC(=O)CC(C)CC 1458a_100000708755_100000731252 [0,2,0,0,0,0|1,0,0]=3 7313 B11R0.154 C#CCCCC(=O)CC(O)CC 1458a_100000690238_100011218378 [0,2,0,0,0,0|2,0,0]=4 7314 B11R0.154 C#CCCCC(=O)CC(O)CC 1458a_100011667805_100000731252 [0,2,0,0,0,0|2,0,0]=4 7315 B11R0.154 C#CCCCC(=O)CN(C)CC 1458a_100116209913_100000731252 [0,2,0,0,0,0|2,0,0]=4 7316 B11R0.154 C#CCCCC(=O)C[C@@H](C)CC 1458a_100000690238_100009816398 [0,2,0,0,0,0|1,0,0]=3 7317 B11R0.154 C#CCCCC(=O)C[C@@H](C)CO 1458a_100000690238_100000059175 [0,2,0,0,0,0|2,0,0]=4 7318 B11R0.154 C#CCCCC(=O)NC(C)CC 11a_100000209981_100000690238 [0,2,0,0,0,0|2,0,0]=4 7319 B11R0.154 C#CCCCC(=O)NC(C)CC 1626a_100000209981_100000690238 [0,2,0,0,0,0|2,0,0]=4 7320 B11R0.154 C#CCCCC(=O)NC(C)CC 240690a_100000209981_100000690238 [0,2,0,0,0,0|2,0,0]=4 7321 B11R0.154 C#CCCCC(=O)NC(C)CC 527a_100000209981_100000690238 [0,2,0,0,0,0|2,0,0]=4 7322 B11R0.154 C#CCCNC(=O)CC(C)CC 11a_100000755551_100000708755 [0,2,0,0,0,0|1,0,0]=3 7323 B11R0.154 C#CCCNC(=O)CC(C)CC 1626a_100000755551_100000708755 [0,2,0,0,0,0|1,0,0]=3 7324 B11R0.154 C#CCCNC(=O)CC(C)CC 240690a_100000755551_100000708755 [0,2,0,0,0,0|1,0,0]=3 7325 B11R0.154 C#CCCNC(=O)CC(C)CC 527a_100000755551_100000708755 [0,2,0,0,0,0|1,0,0]=3 7326 B11R0.154 C#CCCNC(=O)CC(O)CC 1626a_100000755551_100011667805 [0,2,0,0,0,0|2,0,0]=4 7327 B11R0.154 C#CCCNC(=O)CC(O)CC 240690a_100000755551_100011667805 [0,2,0,0,0,0|2,0,0]=4 7328 B11R0.154 C#CCCNC(=O)CN(C)CC 240690a_100000755551_100116209913 [0,2,0,0,0,0|2,0,0]=4 7329 B11R0.154 C#CCCNC(=O)CN(C)CC 527a_100000755551_100116209913 [0,2,0,0,0,0|2,0,0]=4 7330 B11R0.154 C#CCCNC(=O)NC(C)CC 2708a_100000209981_100000755551 [0,2,0,0,0,0|2,0,0]=4 7331 B11R0.154 C#CCCNC(=O)NC(C)CC 2708a_100000755551_100000209981 [0,2,0,0,0,0|2,0,0]=4 7332 B11R0.154 C#CCCNC(=O)NC(C)CC 273464a_100000209981_100000755551 [0,2,0,0,0,0|2,0,0]=4 7333 B11R0.154 C#CCCNC(=O)NC(C)CC 273464a_100000755551_100000209981 [0,2,0,0,0,0|2,0,0]=4 7334 B11R0.154 C#CCCNC(=O)NC(C)CC 512a_100000209981_100000755551 [0,2,0,0,0,0|2,0,0]=4 7335 B11R0.154 C#CCCNC(=O)NC(C)CC 512a_100000755551_100000209981 [0,2,0,0,0,0|2,0,0]=4 7336 B11R0.154 C#CCOCC(=O)CC(C)CC 1458a_100011251226_100000748023 [0,2,0,0,0,0|0,0,1]=3 7337 B11R0.154 C#CCOCC(=O)CC(O)CC 1458a_100011251226_100011218378 [0,2,0,0,0,0|1,0,1]=4 7338 B11R0.154 C#CCOCC(=O)C[C@@H](C)CC 1458a_100011251226_100009816398 [0,2,0,0,0,0|0,0,1]=3 7339 B11R0.154 C#CCOCC(=O)C[C@@H](C)CO 1458a_100011251226_100000059175 [0,2,0,0,0,0|1,0,1]=4 7340 B11R0.154 C#CCOCC(=O)NC(C)CC 11a_100000209981_100011251226 [0,2,0,0,0,0|1,0,1]=4 7341 B11R0.154 C#CCOCC(=O)NC(C)CC 1626a_100000209981_100011251226 [0,2,0,0,0,0|1,0,1]=4 7342 B11R0.154 C#CCOCC(=O)NC(C)CC 34a_100000210247_100000182745 [0,2,0,0,0,0|1,0,1]=4 7343 B11R0.154 C#CCOCC(=O)NC(C)CC 527a_100000209981_100011251226 [0,2,0,0,0,0|1,0,1]=4 7344 B11R0.154 C/C=C/C=CC(=O)CC(C)CC 1458a_100000185730_100000748023 [0,2,0,0,0,0|1,0,1]=4 7345 B11R0.154 C/C=C/C=CC(=O)C[C@@H](C)CC 1458a_100000185730_100009816398 [0,2,0,0,0,0|1,0,1]=4 7346 B11R0.154 C=CC(C)CC(=O)CCOCC 1458a_100011934298_100011215890 [0,2,0,0,0,0|0,0,2]=4 7347 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000708755_100000757094 [0,2,0,0,0,0|1,0,0]=3 7348 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000766728_100000748023 [0,2,0,0,0,0|1,0,0]=3 7349 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100000766728_100011218378 [0,2,0,0,0,0|2,0,0]=4 7350 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100011667805_100000757094 [0,2,0,0,0,0|2,0,0]=4 7351 B11R0.154 C=CCCCC(=O)CN(C)CC 1458a_100116209913_100000757094 [0,2,0,0,0,0|2,0,0]=4 7352 B11R0.154 C=CCCCC(=O)C[C@@H](C)CC 1458a_100000766728_100009816398 [0,2,0,0,0,0|1,0,0]=3 7353 B11R0.154 C=CCCCC(=O)C[C@@H](C)CO 1458a_100000766728_100000059175 [0,2,0,0,0,0|2,0,0]=4 7354 B11R0.154 C=CCCCC(=O)NC(C)CC 11a_100000209981_100000766728 [0,2,0,0,0,0|2,0,0]=4 7355 B11R0.154 C=CCCCC(=O)NC(C)CC 1626a_100000209981_100000766728 [0,2,0,0,0,0|2,0,0]=4 7356 B11R0.154 C=CCCCC(=O)NC(C)CC 240690a_100000209981_100000766728 [0,2,0,0,0,0|2,0,0]=4 7357 B11R0.154 C=CCCCC(=O)NC(C)CC 527a_100000209981_100000766728 [0,2,0,0,0,0|2,0,0]=4 7358 B11R0.154 C=CCCNC(=O)CC(C)CC 11a_100015191253_100000708755 [0,2,0,0,0,0|1,0,0]=3 7359 B11R0.154 C=CCCNC(=O)CC(C)CC 1626a_100015191253_100000708755 [0,2,0,0,0,0|1,0,0]=3 7360 B11R0.154 C=CCCNC(=O)CC(C)CC 240690a_100015191253_100000708755 [0,2,0,0,0,0|1,0,0]=3 7361 B11R0.154 C=CCCNC(=O)CC(C)CC 527a_100015191253_100000708755 [0,2,0,0,0,0|1,0,0]=3 7362 B11R0.154 C=CCCNC(=O)CC(O)CC 1626a_100015191253_100011667805 [0,2,0,0,0,0|2,0,0]=4 7363 B11R0.154 C=CCCNC(=O)CC(O)CC 240690a_100015191253_100011667805 [0,2,0,0,0,0|2,0,0]=4 7364 B11R0.154 C=CCCNC(=O)CN(C)CC 240690a_100015191253_100116209913 [0,2,0,0,0,0|2,0,0]=4 7365 B11R0.154 C=CCCNC(=O)CN(C)CC 527a_100015191253_100116209913 [0,2,0,0,0,0|2,0,0]=4 7366 B11R0.154 C=CCCNC(=O)NC(C)CC 2708a_100000209981_100015191253 [0,2,0,0,0,0|2,0,0]=4 7367 B11R0.154 C=CCCNC(=O)NC(C)CC 2708a_100015191253_100000209981 [0,2,0,0,0,0|2,0,0]=4 7368 B11R0.154 C=CCCNC(=O)NC(C)CC 273464a_100000209981_100015191253 [0,2,0,0,0,0|2,0,0]=4 7369 B11R0.154 C=CCCNC(=O)NC(C)CC 273464a_100015191253_100000209981 [0,2,0,0,0,0|2,0,0]=4 7370 B11R0.154 C=CCCNC(=O)NC(C)CC 512a_100000209981_100015191253 [0,2,0,0,0,0|2,0,0]=4 7371 B11R0.154 C=CCCNC(=O)NC(C)CC 512a_100015191253_100000209981 [0,2,0,0,0,0|2,0,0]=4 7372 B11R0.154 C=CCNNC(=O)CC(C)CC 22a_100020588587_100000708755 [0,2,0,0,0,0|1,0,1]=4 7373 B11R0.154 C=CCOCC(=O)NC(C)CC 34a_200000210373_100000182745 [0,2,0,0,0,0|1,0,1]=4 7374 B11R0.154 C=CCSCC(=O)CC(C)CC 1458a_100000230395_100000748023 [0,2,0,0,0,0|0,1,1]=4 7375 B11R0.154 C=CCSCC(=O)C[C@@H](C)CC 1458a_100000230395_100009816398 [0,2,0,0,0,0|0,1,1]=4 7376 B11R0.154 C=COCCC(=O)CC(C)CC 1458a_100000708755_100000039644 [0,2,0,0,0,0|0,0,2]=4 7377 B11R0.154 CC#CCNC(=O)CC(C)CC 11a_100000685387_100000708755 [0,2,0,0,0,0|1,0,0]=3 7378 B11R0.154 CC#CCNC(=O)CC(C)CC 1626a_100000685387_100000708755 [0,2,0,0,0,0|1,0,0]=3 7379 B11R0.154 CC#CCNC(=O)CC(C)CC 527a_100000685387_100000708755 [0,2,0,0,0,0|1,0,0]=3 7380 B11R0.154 CC#CCNC(=O)CC(O)CC 1626a_100000685387_100011667805 [0,2,0,0,0,0|2,0,0]=4 7381 B11R0.154 CC#CCNC(=O)CN(C)CC 527a_100000685387_100116209913 [0,2,0,0,0,0|2,0,0]=4 7382 B11R0.154 CC#CCNC(=O)NC(C)CC 2708a_100000209981_100000685387 [0,2,0,0,0,0|2,0,0]=4 7383 B11R0.154 CC#CCNC(=O)NC(C)CC 273464a_100000209981_100000685387 [0,2,0,0,0,0|2,0,0]=4 7384 B11R0.154 CC#CCNC(=O)NC(C)CC 273464a_100000685387_100000209981 [0,2,0,0,0,0|2,0,0]=4 7385 B11R0.154 CC#CCNC(=O)NC(C)CC 512a_100000209981_100000685387 [0,2,0,0,0,0|2,0,0]=4 7386 B11R0.154 CC#CCNC(=O)NC(C)CC 512a_100000685387_100000209981 [0,2,0,0,0,0|2,0,0]=4 7387 B11R0.154 CC/C=C/CC(=O)CC(C)CC 1458a_100016274230_100000748023 [0,2,0,0,0,0|1,0,0]=3 7388 B11R0.154 CC/C=C/CC(=O)CC(O)CC 1458a_100016274230_100011218378 [0,2,0,0,0,0|2,0,0]=4 7389 B11R0.154 CC/C=C/CC(=O)C[C@@H](C)CC 1458a_100016274230_100009816398 [0,2,0,0,0,0|1,0,0]=3 7390 B11R0.154 CC/C=C/CC(=O)C[C@@H](C)CO 1458a_100016274230_100000059175 [0,2,0,0,0,0|2,0,0]=4 7391 B11R0.154 CC/C=C/CC(=O)NC(C)CC 11a_100000209981_100016274230 [0,2,0,0,0,0|2,0,0]=4 7392 B11R0.154 CC/C=C/CC(=O)NC(C)CC 1626a_100000209981_100016274230 [0,2,0,0,0,0|2,0,0]=4 7393 B11R0.154 CC/C=C/CC(=O)NC(C)CC 240690a_100000209981_100016274230 [0,2,0,0,0,0|2,0,0]=4 7394 B11R0.154 CC/C=C/CC(=O)NC(C)CC 527a_100000209981_100016274230 [0,2,0,0,0,0|2,0,0]=4 7395 B11R0.154 CC/C=C\CC(=O)CC(C)CC 1458a_100000708755_100103147603 [0,2,0,0,0,0|1,0,0]=3 7396 B11R0.154 CC/C=C\CC(=O)CC(O)CC 1458a_100011667805_100103147603 [0,2,0,0,0,0|2,0,0]=4 7397 B11R0.154 CC/C=C\CC(=O)CN(C)CC 1458a_100116209913_100103147603 [0,2,0,0,0,0|2,0,0]=4 7398 B11R0.154 CCC#CCC(=O)CC(C)CC 1458a_100000708755_100009813939 [0,2,0,0,0,0|1,0,0]=3 7399 B11R0.154 CCC#CCC(=O)CC(O)CC 1458a_100011667805_100009813939 [0,2,0,0,0,0|2,0,0]=4 7400 B11R0.154 CCC#CCC(=O)CN(C)CC 1458a_100116209913_100009813939 [0,2,0,0,0,0|2,0,0]=4 7401 B11R0.154 CCC(=O)CC(=O)COCCO 1458a_100000708028_100000747405 [0,2,0,0,0,0|1,0,1]=4 7402 B11R0.154 CCC(=O)CC(=O)OCCOC 1458a_100000210414_200000040189 [0,2,0,0,0,0|1,0,1]=4 7403 B11R0.154 CCC(C)CC(=NNCCO)C 4a_100000210001_100011710205 [0,2,0,0,0,0|2,0,0]=4 7404 B11R0.154 CCC(C)CC(=O)C=CCOC 1458a_100016285016_100000748023 [0,2,0,0,0,0|1,0,0]=3 7405 B11R0.154 CCC(C)CC(=O)CC#CCO 1458a_100000708755_200000047223 [0,2,0,0,0,0|1,0,1]=4 7406 B11R0.154 CCC(C)CC(=O)CCCC#N 1458a_100000075515_100000748023 [0,2,0,0,0,0|1,0,0]=3 7407 B11R0.154 CCC(C)CC(=O)CCCC#N 1458a_100000708755_100000211468 [0,2,0,0,0,0|1,0,0]=3 7408 B11R0.154 CCC(C)CC(=O)CCCCF 1458a_100000708755_100000729493 [0,2,0,0,0,0|1,0,0]=3 7409 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000695505_100000748023 [0,2,0,0,0,0|1,0,0]=3 7410 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000708755_100000210776 [0,2,0,0,0,0|1,0,0]=3 7411 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000708755_100000740836 [0,2,0,0,0,0|1,0,0]=3 7412 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000741012_100000748023 [0,2,0,0,0,0|1,0,0]=3 7413 B11R0.154 CCC(C)CC(=O)CCCSC 1458a_100000173376_100000748023 [0,2,0,0,0,0|1,0,0]=3 7414 B11R0.154 CCC(C)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000748023 [0,2,0,0,0,0|2,0,0]=4 7415 B11R0.154 CCC(C)CC(=O)COCCO 1458a_100000708028_100000748023 [0,2,0,0,0,0|0,0,0]=2 7416 B11R0.154 CCC(C)CC(=O)CSCC#N 1458a_100000150266_100000748023 [0,2,0,0,0,0|0,1,1]=4 7417 B11R0.154 CCC(C)CC(=O)NCCC#N 11a_100000720768_100000708755 [0,2,0,0,0,0|1,0,0]=3 7418 B11R0.154 CCC(C)CC(=O)NCCC#N 1626a_100000720768_100000708755 [0,2,0,0,0,0|1,0,0]=3 7419 B11R0.154 CCC(C)CC(=O)NCCC#N 240690a_100000720768_100000708755 [0,2,0,0,0,0|1,0,0]=3 7420 B11R0.154 CCC(C)CC(=O)NCCC#N 527a_100000720768_100000708755 [0,2,0,0,0,0|1,0,0]=3 7421 B11R0.154 CCC(C)CC(=O)NCCCF 11a_100015189416_100000708755 [0,2,0,0,0,0|1,0,0]=3 7422 B11R0.154 CCC(C)CC(=O)NCCCF 1626a_100015189416_100000708755 [0,2,0,0,0,0|1,0,0]=3 7423 B11R0.154 CCC(C)CC(=O)NCCCF 240690a_100015189416_100000708755 [0,2,0,0,0,0|1,0,0]=3 7424 B11R0.154 CCC(C)CC(=O)NCCCF 527a_100015189416_100000708755 [0,2,0,0,0,0|1,0,0]=3 7425 B11R0.154 CCC(C)CC(=O)NCCCO 240690a_100000182051_100000708755 [0,2,0,0,0,0|1,0,0]=3 7426 B11R0.154 CCC(C)CC(=O)NCCCO 527a_100000182051_100000708755 [0,2,0,0,0,0|1,0,0]=3 7427 B11R0.154 CCC(C)CC(=O)NCCOC 1626a_100000209980_100000708755 [0,2,0,0,0,0|1,0,0]=3 7428 B11R0.154 CCC(C)CC(=O)NCCOC 240690a_100000209980_100000708755 [0,2,0,0,0,0|1,0,0]=3 7429 B11R0.154 CCC(C)CC(=O)NCCOC 527a_100000209980_100000708755 [0,2,0,0,0,0|1,0,0]=3 7430 B11R0.154 CCC(C)CC(=O)NCCSC 11a_100020590264_100000708755 [0,2,0,0,0,0|1,0,0]=3 7431 B11R0.154 CCC(C)CC(=O)NCCSC 1626a_100020590264_100000708755 [0,2,0,0,0,0|1,0,0]=3 7432 B11R0.154 CCC(C)CC(=O)NCCSC 240690a_100020590264_100000708755 [0,2,0,0,0,0|1,0,0]=3 7433 B11R0.154 CCC(C)CC(=O)NCCSC 527a_100020590264_100000708755 [0,2,0,0,0,0|1,0,0]=3 7434 B11R0.154 CCC(C)CC(=O)NNCCO 22a_100000210001_100000708755 [0,2,0,0,0,0|1,0,0]=3 7435 B11R0.154 CCC(C)NC(=O)C=CCOC 11a_100000209981_100016285016 [0,2,0,0,0,0|2,0,0]=4 7436 B11R0.154 CCC(C)NC(=O)C=CCOC 1626a_100000209981_100016285016 [0,2,0,0,0,0|2,0,0]=4 7437 B11R0.154 CCC(C)NC(=O)C=CCOC 240690a_100000209981_100016285016 [0,2,0,0,0,0|2,0,0]=4 7438 B11R0.154 CCC(C)NC(=O)CCCC#N 11a_100000209981_100000075515 [0,2,0,0,0,0|2,0,0]=4 7439 B11R0.154 CCC(C)NC(=O)CCCC#N 1626a_100000209981_100000075515 [0,2,0,0,0,0|2,0,0]=4 7440 B11R0.154 CCC(C)NC(=O)CCCC#N 240690a_100000209981_100000075515 [0,2,0,0,0,0|2,0,0]=4 7441 B11R0.154 CCC(C)NC(=O)CCCC#N 527a_100000209981_100000075515 [0,2,0,0,0,0|2,0,0]=4 7442 B11R0.154 CCC(C)NC(=O)CCCCO 1626a_100000209981_100000695505 [0,2,0,0,0,0|2,0,0]=4 7443 B11R0.154 CCC(C)NC(=O)CCCOC 11a_100000209981_100000741012 [0,2,0,0,0,0|2,0,0]=4 7444 B11R0.154 CCC(C)NC(=O)CCCOC 1626a_100000209981_100000741012 [0,2,0,0,0,0|2,0,0]=4 7445 B11R0.154 CCC(C)NC(=O)CCCOC 240690a_100000209981_100000741012 [0,2,0,0,0,0|2,0,0]=4 7446 B11R0.154 CCC(C)NC(=O)CCCOC 527a_100000209981_100000741012 [0,2,0,0,0,0|2,0,0]=4 7447 B11R0.154 CCC(C)NC(=O)CCCSC 11a_100000209981_100000173376 [0,2,0,0,0,0|2,0,0]=4 7448 B11R0.154 CCC(C)NC(=O)CCCSC 1626a_100000209981_100000173376 [0,2,0,0,0,0|2,0,0]=4 7449 B11R0.154 CCC(C)NC(=O)CCCSC 240690a_100000209981_100000173376 [0,2,0,0,0,0|2,0,0]=4 7450 B11R0.154 CCC(C)NC(=O)CCCSC 527a_100000209981_100000173376 [0,2,0,0,0,0|2,0,0]=4 7451 B11R0.154 CCC(C)NC(=O)CNCCF 34a_100000724931_100000182745 [0,2,0,0,0,0|2,0,0]=4 7452 B11R0.154 CCC(C)NC(=O)CNCCO 2230a_100016997473_100000182745 [0,2,0,0,0,0|2,0,0]=4 7453 B11R0.154 CCC(C)NC(=O)CNCCO 34a_100016990907_100000182745 [0,2,0,0,0,0|2,0,0]=4 7454 B11R0.154 CCC(C)NC(=O)COCCBr 34a_100000211926_100000182745 [0,2,0,0,0,0|1,0,0]=3 7455 B11R0.154 CCC(C)NC(=O)COCCN 34a_100000210304_100000182745 [0,2,0,0,0,0|1,0,0]=3 7456 B11R0.154 CCC(C)NC(=O)COCCO 1626a_100000209981_100000708028 [0,2,0,0,0,0|1,0,0]=3 7457 B11R0.154 CCC(C)NC(=O)COCCO 240690a_100000209981_100000708028 [0,2,0,0,0,0|1,0,0]=3 7458 B11R0.154 CCC(C)NC(=O)CSCCF 62a_100000182745_100011217306 [0,2,0,0,0,0|1,1,0]=4 7459 B11R0.154 CCC(C)NC(=O)CSCCF 62a_100011217306_100000182745 [0,2,0,0,0,0|1,1,0]=4 7460 B11R0.154 CCC(C)NC(=O)CSCCO 62a_100000182745_100000211926 [0,2,0,0,0,0|1,1,0]=4 7461 B11R0.154 CCC(C)NC(=O)CSCCO 62a_100000211926_100000182745 [0,2,0,0,0,0|1,1,0]=4 7462 B11R0.154 CCC(C)NC(=O)CSCOC 62a_100000182745_100000766300 [0,2,0,0,0,0|1,1,0]=4 7463 B11R0.154 CCC(C)NC(=O)CSCOC 62a_100000766300_100000182745 [0,2,0,0,0,0|1,1,0]=4 7464 B11R0.154 CCC(C)NC(=O)CSCSC 62a_100000182745_100011218213 [0,2,0,0,0,0|1,1,0]=4 7465 B11R0.154 CCC(C)NC(=O)CSCSC 62a_100011218213_100000182745 [0,2,0,0,0,0|1,1,0]=4 7466 B11R0.154 CCC(C)NC(=O)NCCC#N 2708a_100000209981_100000720768 [0,2,0,0,0,0|2,0,0]=4 7467 B11R0.154 CCC(C)NC(=O)NCCC#N 2708a_100000720768_100000209981 [0,2,0,0,0,0|2,0,0]=4 7468 B11R0.154 CCC(C)NC(=O)NCCC#N 273464a_100000209981_100000720768 [0,2,0,0,0,0|2,0,0]=4 7469 B11R0.154 CCC(C)NC(=O)NCCC#N 273464a_100000720768_100000209981 [0,2,0,0,0,0|2,0,0]=4 7470 B11R0.154 CCC(C)NC(=O)NCCC#N 512a_100000209981_100000720768 [0,2,0,0,0,0|2,0,0]=4 7471 B11R0.154 CCC(C)NC(=O)NCCC#N 512a_100000720768_100000209981 [0,2,0,0,0,0|2,0,0]=4 7472 B11R0.154 CCC(C)NC(=O)NCCCF 2708a_100000209981_100015189416 [0,2,0,0,0,0|2,0,0]=4 7473 B11R0.154 CCC(C)NC(=O)NCCCF 2708a_100015189416_100000209981 [0,2,0,0,0,0|2,0,0]=4 7474 B11R0.154 CCC(C)NC(=O)NCCCF 273464a_100000209981_100015189416 [0,2,0,0,0,0|2,0,0]=4 7475 B11R0.154 CCC(C)NC(=O)NCCCF 273464a_100015189416_100000209981 [0,2,0,0,0,0|2,0,0]=4 7476 B11R0.154 CCC(C)NC(=O)NCCCF 512a_100000209981_100015189416 [0,2,0,0,0,0|2,0,0]=4 7477 B11R0.154 CCC(C)NC(=O)NCCCF 512a_100015189416_100000209981 [0,2,0,0,0,0|2,0,0]=4 7478 B11R0.154 CCC(C)NC(=O)NCCCO 2708a_100000209981_100000182051 [0,2,0,0,0,0|2,0,0]=4 7479 B11R0.154 CCC(C)NC(=O)NCCCO 273464a_100000182051_100000209981 [0,2,0,0,0,0|2,0,0]=4 7480 B11R0.154 CCC(C)NC(=O)NCCCO 273464a_100000209981_100000182051 [0,2,0,0,0,0|2,0,0]=4 7481 B11R0.154 CCC(C)NC(=O)NCCCO 512a_100000209981_100000182051 [0,2,0,0,0,0|2,0,0]=4 7482 B11R0.154 CCC(C)NC(=O)NCCOC 2708a_100000209981_100000209980 [0,2,0,0,0,0|2,0,0]=4 7483 B11R0.154 CCC(C)NC(=O)NCCOC 273464a_100000209980_100000209981 [0,2,0,0,0,0|2,0,0]=4 7484 B11R0.154 CCC(C)NC(=O)NCCOC 273464a_100000209981_100000209980 [0,2,0,0,0,0|2,0,0]=4 7485 B11R0.154 CCC(C)NC(=O)NCCSC 2708a_100000209981_100020590264 [0,2,0,0,0,0|2,0,0]=4 7486 B11R0.154 CCC(C)NC(=O)NCCSC 2708a_100020590264_100000209981 [0,2,0,0,0,0|2,0,0]=4 7487 B11R0.154 CCC(C)NC(=O)NCCSC 273464a_100000209981_100020590264 [0,2,0,0,0,0|2,0,0]=4 7488 B11R0.154 CCC(C)NC(=O)NCCSC 273464a_100020590264_100000209981 [0,2,0,0,0,0|2,0,0]=4 7489 B11R0.154 CCC(C)NC(=O)NCCSC 512a_100000209981_100020590264 [0,2,0,0,0,0|2,0,0]=4 7490 B11R0.154 CCC(C)NC(=O)NCCSC 512a_100020590264_100000209981 [0,2,0,0,0,0|2,0,0]=4 7491 B11R0.154 CCC(C)NC(=O)NNCCO 273464a_100000209981_100000210001 [0,2,0,0,0,0|2,0,0]=4 7492 B11R0.154 CCC(C)NC(=O)NNCCO 512a_100000209981_100000210001 [0,2,0,0,0,0|2,0,0]=4 7493 B11R0.154 CCC(O)CC(=O)C=CCOC 1458a_100016285016_100011218378 [0,2,0,0,0,0|2,0,0]=4 7494 B11R0.154 CCC(O)CC(=O)CCCC#N 1458a_100000075515_100011218378 [0,2,0,0,0,0|2,0,0]=4 7495 B11R0.154 CCC(O)CC(=O)CCCC#N 1458a_100011667805_100000211468 [0,2,0,0,0,0|2,0,0]=4 7496 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [0,2,0,0,0,0|2,0,0]=4 7497 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [0,2,0,0,0,0|2,0,0]=4 7498 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [0,2,0,0,0,0|2,0,0]=4 7499 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100000741012_100011218378 [0,2,0,0,0,0|2,0,0]=4 7500 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100011667805_100000740836 [0,2,0,0,0,0|2,0,0]=4 7501 B11R0.154 CCC(O)CC(=O)CCCSC 1458a_100000173376_100011218378 [0,2,0,0,0,0|2,0,0]=4 7502 B11R0.154 CCC(O)CC(=O)COCCO 1458a_100000708028_100011218378 [0,2,0,0,0,0|1,0,0]=3 7503 B11R0.154 CCC(O)CC(=O)NCCC#N 1626a_100000720768_100011667805 [0,2,0,0,0,0|2,0,0]=4 7504 B11R0.154 CCC(O)CC(=O)NCCC#N 240690a_100000720768_100011667805 [0,2,0,0,0,0|2,0,0]=4 7505 B11R0.154 CCC(O)CC(=O)NCCCF 1626a_100015189416_100011667805 [0,2,0,0,0,0|2,0,0]=4 7506 B11R0.154 CCC(O)CC(=O)NCCCF 240690a_100015189416_100011667805 [0,2,0,0,0,0|2,0,0]=4 7507 B11R0.154 CCC(O)CC(=O)NCCCO 240690a_100000182051_100011667805 [0,2,0,0,0,0|2,0,0]=4 7508 B11R0.154 CCC(O)CC(=O)NCCOC 1626a_100000209980_100011667805 [0,2,0,0,0,0|2,0,0]=4 7509 B11R0.154 CCC(O)CC(=O)NCCOC 240690a_100000209980_100011667805 [0,2,0,0,0,0|2,0,0]=4 7510 B11R0.154 CCC(O)CC(=O)NCCSC 1626a_100020590264_100011667805 [0,2,0,0,0,0|2,0,0]=4 7511 B11R0.154 CCC(O)CC(=O)NCCSC 240690a_100020590264_100011667805 [0,2,0,0,0,0|2,0,0]=4 7512 B11R0.154 CCC(O)CC(=O)NNCCO 22a_100000210001_100011667805 [0,2,0,0,0,0|2,0,0]=4 7513 B11R0.154 CCC=NNC(=O)CN(C)CC 4a_100015186287_100000210100 [0,2,0,0,0,0|2,0,0]=4 7514 B11R0.154 CCCC#CC(=O)CC(C)CC 1458a_200011218047_100000748023 [0,2,0,0,0,0|1,0,0]=3 7515 B11R0.154 CCCC#CC(=O)CC(O)CC 1458a_200011218047_100011218378 [0,2,0,0,0,0|2,0,0]=4 7516 B11R0.154 CCCC#CC(=O)C[C@@H](C)CC 1458a_200011218047_100009816398 [0,2,0,0,0,0|1,0,0]=3 7517 B11R0.154 CCCC#CC(=O)C[C@@H](C)CO 1458a_200011218047_100000059175 [0,2,0,0,0,0|2,0,0]=4 7518 B11R0.154 CCCC#CC(=O)NC(C)CC 240690a_100000209981_200011218047 [0,2,0,0,0,0|2,0,0]=4 7519 B11R0.154 CCCC=CC(=O)CC(C)CC 1458a_100000212230_100000748023 [0,2,0,0,0,0|1,0,0]=3 7520 B11R0.154 CCCC=CC(=O)CC(O)CC 1458a_100000212230_100011218378 [0,2,0,0,0,0|2,0,0]=4 7521 B11R0.154 CCCC=CC(=O)C[C@@H](C)CC 1458a_100000212230_100009816398 [0,2,0,0,0,0|1,0,0]=3 7522 B11R0.154 CCCC=CC(=O)C[C@@H](C)CO 1458a_100000212230_100000059175 [0,2,0,0,0,0|2,0,0]=4 7523 B11R0.154 CCCC=CC(=O)NC(C)CC 11a_100000209981_100000212230 [0,2,0,0,0,0|2,0,0]=4 7524 B11R0.154 CCCC=CC(=O)NC(C)CC 1626a_100000209981_100000212230 [0,2,0,0,0,0|2,0,0]=4 7525 B11R0.154 CCCC=CC(=O)NC(C)CC 240690a_100000209981_100000212230 [0,2,0,0,0,0|2,0,0]=4 7526 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,2,0,0,0,0|1,0,0]=3 7527 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,2,0,0,0,0|1,0,0]=3 7528 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,2,0,0,0,0|2,0,0]=4 7529 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,2,0,0,0,0|2,0,0]=4 7530 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [0,2,0,0,0,0|2,0,0]=4 7531 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [0,2,0,0,0,0|2,0,0]=4 7532 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [0,2,0,0,0,0|2,0,0]=4 7533 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,2,0,0,0,0|1,0,0]=3 7534 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,2,0,0,0,0|2,0,0]=4 7535 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 7536 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 7537 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 7538 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 7539 B11R0.154 CCCCNC(=O)CC(C)CC 11a_100000102301_100000708755 [0,2,0,0,0,0|1,0,0]=3 7540 B11R0.154 CCCCNC(=O)CC(C)CC 1626a_100000102301_100000708755 [0,2,0,0,0,0|1,0,0]=3 7541 B11R0.154 CCCCNC(=O)CC(C)CC 240690a_100000102301_100000708755 [0,2,0,0,0,0|1,0,0]=3 7542 B11R0.154 CCCCNC(=O)CC(C)CC 527a_100000102301_100000708755 [0,2,0,0,0,0|1,0,0]=3 7543 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [0,2,0,0,0,0|2,0,0]=4 7544 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [0,2,0,0,0,0|2,0,0]=4 7545 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_100000225621_100000182744 [0,2,0,0,0,0|2,0,0]=4 7546 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_200000213093_100000210202 [0,2,0,0,0,0|2,0,0]=4 7547 B11R0.154 CCCCNC(=O)CN(C)CC 240690a_100000102301_100116209913 [0,2,0,0,0,0|2,0,0]=4 7548 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_100000225621_100000182744 [0,2,0,0,0,0|2,0,0]=4 7549 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_200000213093_100000204670 [0,2,0,0,0,0|2,0,0]=4 7550 B11R0.154 CCCCNC(=O)CN(C)CC 527a_100000102301_100116209913 [0,2,0,0,0,0|2,0,0]=4 7551 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000102301_100000209981 [0,2,0,0,0,0|2,0,0]=4 7552 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000209981_100000102301 [0,2,0,0,0,0|2,0,0]=4 7553 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000102301_100000209981 [0,2,0,0,0,0|2,0,0]=4 7554 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000209981_100000102301 [0,2,0,0,0,0|2,0,0]=4 7555 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000102301_100000209981 [0,2,0,0,0,0|2,0,0]=4 7556 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000209981_100000102301 [0,2,0,0,0,0|2,0,0]=4 7557 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [0,2,0,0,0,0|1,0,1]=4 7558 B11R0.154 CCCCOC(=O)CN(C)CC 2230a_100000225621_100000211628 [0,2,0,0,0,0|1,0,0]=3 7559 B11R0.154 CCCCOC(=O)CN(C)CC 269982a_100000225621_100000211628 [0,2,0,0,0,0|1,0,0]=3 7560 B11R0.154 CCCNN=C(C)CC(C)CC 4a_100000740057_100011710205 [0,2,0,0,0,0|2,0,0]=4 7561 B11R0.154 CCCNNC(=O)CC(C)CC 22a_100000740057_100000708755 [0,2,0,0,0,0|1,0,0]=3 7562 B11R0.154 CCCNNC(=O)CC(O)CC 22a_100000740057_100011667805 [0,2,0,0,0,0|2,0,0]=4 7563 B11R0.154 CCCNNC(=O)CN(C)CC 22a_100000740057_100116209913 [0,2,0,0,0,0|2,0,0]=4 7564 B11R0.154 CCCNNC(=O)NC(C)CC 273464a_100000209981_100000740057 [0,2,0,0,0,0|2,0,0]=4 7565 B11R0.154 CCCNNC(=O)NC(C)CC 512a_100000209981_100000740057 [0,2,0,0,0,0|2,0,0]=4 7566 B11R0.154 CCCNNC(=O)NC(C)CC 512a_100000740057_100000209981 [0,2,0,0,0,0|2,0,0]=4 7567 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [0,2,0,0,0,0|1,0,1]=4 7568 B11R0.154 CCCOCC(=O)CC(C)CC 1458a_100000745993_100000748023 [0,2,0,0,0,0|0,0,0]=2 7569 B11R0.154 CCCOCC(=O)CC(O)CC 1458a_100000745993_100011218378 [0,2,0,0,0,0|1,0,0]=3 7570 B11R0.154 CCCOCC(=O)C[C@@H](C)CC 1458a_100000745993_100009816398 [0,2,0,0,0,0|0,0,0]=2 7571 B11R0.154 CCCOCC(=O)C[C@@H](C)CO 1458a_100000745993_100000059175 [0,2,0,0,0,0|1,0,0]=3 7572 B11R0.154 CCCOCC(=O)NC(C)CC 11a_100000209981_100000745993 [0,2,0,0,0,0|1,0,0]=3 7573 B11R0.154 CCCOCC(=O)NC(C)CC 1626a_100000209981_100000745993 [0,2,0,0,0,0|1,0,0]=3 7574 B11R0.154 CCCOCC(=O)NC(C)CC 240690a_100000209981_100000745993 [0,2,0,0,0,0|1,0,0]=3 7575 B11R0.154 CCCOCC(=O)NC(C)CC 34a_100000210258_100000182745 [0,2,0,0,0,0|1,0,0]=3 7576 B11R0.154 CCCOCC(=O)NC(C)CC 527a_100000209981_100000745993 [0,2,0,0,0,0|1,0,0]=3 7577 B11R0.154 CCCOCC(=O)N[C@H](C)CF 11a_100102880703_100000745993 [0,2,0,0,0,0|2,0,0]=4 7578 B11R0.154 CCCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000745993 [0,2,0,0,0,0|2,0,0]=4 7579 B11R0.154 CCCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000745993 [0,2,0,0,0,0|2,0,0]=4 7580 B11R0.154 CCCOCC(=O)N[C@H](C)CF 527a_100102880703_100000745993 [0,2,0,0,0,0|2,0,0]=4 7581 B11R0.154 CCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000745993 [0,2,0,0,0,0|2,0,0]=4 7582 B11R0.154 CCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000745993 [0,2,0,0,0,0|2,0,0]=4 7583 B11R0.154 CCCSCC(=O)CC(C)CC 1458a_100000217233_100000748023 [0,2,0,0,0,0|0,1,0]=3 7584 B11R0.154 CCCSCC(=O)CC(O)CC 1458a_100000217233_100011218378 [0,2,0,0,0,0|1,1,0]=4 7585 B11R0.154 CCCSCC(=O)C[C@@H](C)CC 1458a_100000217233_100009816398 [0,2,0,0,0,0|0,1,0]=3 7586 B11R0.154 CCCSCC(=O)C[C@@H](C)CO 1458a_100000217233_100000059175 [0,2,0,0,0,0|1,1,0]=4 7587 B11R0.154 CCCSCC(=O)NC(C)CC 11a_100000209981_100000217233 [0,2,0,0,0,0|1,1,0]=4 7588 B11R0.154 CCCSCC(=O)NC(C)CC 1626a_100000209981_100000217233 [0,2,0,0,0,0|1,1,0]=4 7589 B11R0.154 CCCSCC(=O)NC(C)CC 240690a_100000209981_100000217233 [0,2,0,0,0,0|1,1,0]=4 7590 B11R0.154 CCCSCC(=O)NC(C)CC 527a_100000209981_100000217233 [0,2,0,0,0,0|1,1,0]=4 7591 B11R0.154 CCCSCC(=O)NC(C)CC 62a_100000182745_100000210303 [0,2,0,0,0,0|1,1,0]=4 7592 B11R0.154 CCCSCC(=O)NC(C)CC 62a_100000210303_100000182745 [0,2,0,0,0,0|1,1,0]=4 7593 B11R0.154 CCN(C)CC(=O)CCCC#N 1458a_100116209913_100000211468 [0,2,0,0,0,0|2,0,0]=4 7594 B11R0.154 CCN(C)CC(=O)CCCCF 1458a_100116209913_100000729493 [0,2,0,0,0,0|2,0,0]=4 7595 B11R0.154 CCN(C)CC(=O)CCCCO 1458a_100116209913_100000210776 [0,2,0,0,0,0|2,0,0]=4 7596 B11R0.154 CCN(C)CC(=O)CCCOC 1458a_100116209913_100000740836 [0,2,0,0,0,0|2,0,0]=4 7597 B11R0.154 CCN(C)CC(=O)NCCC#N 240690a_100000720768_100116209913 [0,2,0,0,0,0|2,0,0]=4 7598 B11R0.154 CCN(C)CC(=O)NCCC#N 527a_100000720768_100116209913 [0,2,0,0,0,0|2,0,0]=4 7599 B11R0.154 CCN(C)CC(=O)NCCCF 240690a_100015189416_100116209913 [0,2,0,0,0,0|2,0,0]=4 7600 B11R0.154 CCN(C)CC(=O)NCCCF 527a_100015189416_100116209913 [0,2,0,0,0,0|2,0,0]=4 7601 B11R0.154 CCN(C)CC(=O)NCCCO 240690a_100000182051_100116209913 [0,2,0,0,0,0|2,0,0]=4 7602 B11R0.154 CCN(C)CC(=O)NCCCO 527a_100000182051_100116209913 [0,2,0,0,0,0|2,0,0]=4 7603 B11R0.154 CCN(C)CC(=O)NCCOC 2230a_100000225621_100000183275 [0,2,0,0,0,0|2,0,0]=4 7604 B11R0.154 CCN(C)CC(=O)NCCOC 2230a_100020672463_100000210202 [0,2,0,0,0,0|2,0,0]=4 7605 B11R0.154 CCN(C)CC(=O)NCCOC 240690a_100000209980_100116209913 [0,2,0,0,0,0|2,0,0]=4 7606 B11R0.154 CCN(C)CC(=O)NCCOC 269982a_100000225621_100000183275 [0,2,0,0,0,0|2,0,0]=4 7607 B11R0.154 CCN(C)CC(=O)NCCOC 269982a_100020672463_100000204670 [0,2,0,0,0,0|2,0,0]=4 7608 B11R0.154 CCN(C)CC(=O)NCCOC 527a_100000209980_100116209913 [0,2,0,0,0,0|2,0,0]=4 7609 B11R0.154 CCN(C)CC(=O)NCCSC 240690a_100020590264_100116209913 [0,2,0,0,0,0|2,0,0]=4 7610 B11R0.154 CCN(C)CC(=O)NCCSC 527a_100020590264_100116209913 [0,2,0,0,0,0|2,0,0]=4 7611 B11R0.154 CCN(C)CC(=O)NNCCO 22a_100000210001_100116209913 [0,2,0,0,0,0|2,0,0]=4 7612 B11R0.154 CCN(C)CC(=O)OCCOC 2230a_100000225621_200000040189 [0,2,0,0,0,0|1,0,0]=3 7613 B11R0.154 CCN(C)CC(=O)OCCOC 269982a_100000225621_200000040189 [0,2,0,0,0,0|1,0,0]=3 7614 B11R0.154 CCOC=CC(=O)CC(=O)CC 1458a_100016266692_100000747405 [0,2,0,0,0,0|1,0,1]=4 7615 B11R0.154 CCOC=CC(=O)CC(C)CC 1458a_100016266692_100000748023 [0,2,0,0,0,0|0,0,0]=2 7616 B11R0.154 CCOC=CC(=O)CC(O)CC 1458a_100016266692_100011218378 [0,2,0,0,0,0|1,0,0]=3 7617 B11R0.154 CCOC=CC(=O)C[C@@H](C)CC 1458a_100016266692_100009816398 [0,2,0,0,0,0|0,0,0]=2 7618 B11R0.154 CCOC=CC(=O)C[C@@H](C)CO 1458a_100016266692_100000059175 [0,2,0,0,0,0|1,0,0]=3 7619 B11R0.154 CCOC=CC(=O)NC(C)CC 11a_100000209981_100016266692 [0,2,0,0,0,0|1,0,0]=3 7620 B11R0.154 CCOC=CC(=O)NC(C)CC 1626a_100000209981_100016266692 [0,2,0,0,0,0|1,0,0]=3 7621 B11R0.154 CCOC=CC(=O)NC(C)CC 240690a_100000209981_100016266692 [0,2,0,0,0,0|1,0,0]=3 7622 B11R0.154 CCOC=CC(=O)N[C@H](C)CF 11a_100102880703_100016266692 [0,2,0,0,0,0|2,0,0]=4 7623 B11R0.154 CCOC=CC(=O)N[C@H](C)CF 1626a_100102880703_100016266692 [0,2,0,0,0,0|2,0,0]=4 7624 B11R0.154 CCOC=CC(=O)N[C@H](C)CF 240690a_100102880703_100016266692 [0,2,0,0,0,0|2,0,0]=4 7625 B11R0.154 CCOC=CC(=O)N[C@H](C)CO 240690a_100000737577_100016266692 [0,2,0,0,0,0|2,0,0]=4 7626 B11R0.154 CCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215890 [0,2,0,0,0,0|0,0,2]=4 7627 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [0,2,0,0,0,0|1,0,1]=4 7628 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000708755_100011215890 [0,2,0,0,0,0|0,0,0]=2 7629 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000749530_100000748023 [0,2,0,0,0,0|0,0,0]=2 7630 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100000749530_100011218378 [0,2,0,0,0,0|1,0,0]=3 7631 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100011667805_100011215890 [0,2,0,0,0,0|1,0,0]=3 7632 B11R0.154 CCOCCC(=O)CN(C)CC 1458a_100116209913_100011215890 [0,2,0,0,0,0|1,0,0]=3 7633 B11R0.154 CCOCCC(=O)C[C@@H](C)CC 1458a_100000749530_100009816398 [0,2,0,0,0,0|0,0,0]=2 7634 B11R0.154 CCOCCC(=O)C[C@@H](C)CO 1458a_100000749530_100000059175 [0,2,0,0,0,0|1,0,0]=3 7635 B11R0.154 CCOCCC(=O)NC(C)CC 11a_100000209981_100000749530 [0,2,0,0,0,0|1,0,0]=3 7636 B11R0.154 CCOCCC(=O)NC(C)CC 1626a_100000209981_100000749530 [0,2,0,0,0,0|1,0,0]=3 7637 B11R0.154 CCOCCC(=O)NC(C)CC 240690a_100000209981_100000749530 [0,2,0,0,0,0|1,0,0]=3 7638 B11R0.154 CCOCCC(=O)NC(C)CC 527a_100000209981_100000749530 [0,2,0,0,0,0|1,0,0]=3 7639 B11R0.154 CCOCCC(=O)N[C@H](C)CF 11a_100102880703_100000749530 [0,2,0,0,0,0|2,0,0]=4 7640 B11R0.154 CCOCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749530 [0,2,0,0,0,0|2,0,0]=4 7641 B11R0.154 CCOCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749530 [0,2,0,0,0,0|2,0,0]=4 7642 B11R0.154 CCOCCC(=O)N[C@H](C)CF 527a_100102880703_100000749530 [0,2,0,0,0,0|2,0,0]=4 7643 B11R0.154 CCOCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749530 [0,2,0,0,0,0|2,0,0]=4 7644 B11R0.154 CCOCCC(=O)N[C@H](C)CO 527a_100000737577_100000749530 [0,2,0,0,0,0|2,0,0]=4 7645 B11R0.154 CCOCCN(C)CC(C)CC 2230a_100000753921_100011215890 [0,2,0,0,0,0|2,0,0]=4 7646 B11R0.154 CCOCCN(C)CC(C)CC 269982a_100000753921_100011215890 [0,2,0,0,0,0|2,0,0]=4 7647 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000230768_100000748023 [0,2,0,0,0,0|0,1,0]=3 7648 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000708755_100000757381 [0,2,0,0,0,0|0,1,0]=3 7649 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100000230768_100011218378 [0,2,0,0,0,0|1,1,0]=4 7650 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100011667805_100000757381 [0,2,0,0,0,0|1,1,0]=4 7651 B11R0.154 CCSCCC(=O)CN(C)CC 1458a_100116209913_100000757381 [0,2,0,0,0,0|1,1,0]=4 7652 B11R0.154 CCSCCC(=O)C[C@@H](C)CC 1458a_100000230768_100009816398 [0,2,0,0,0,0|0,1,0]=3 7653 B11R0.154 CCSCCC(=O)C[C@@H](C)CO 1458a_100000230768_100000059175 [0,2,0,0,0,0|1,1,0]=4 7654 B11R0.154 CCSCCC(=O)NC(C)CC 11a_100000209981_100000230768 [0,2,0,0,0,0|1,1,0]=4 7655 B11R0.154 CCSCCC(=O)NC(C)CC 1626a_100000209981_100000230768 [0,2,0,0,0,0|1,1,0]=4 7656 B11R0.154 CCSCCC(=O)NC(C)CC 240690a_100000209981_100000230768 [0,2,0,0,0,0|1,1,0]=4 7657 B11R0.154 CCSCCC(=O)NC(C)CC 527a_100000209981_100000230768 [0,2,0,0,0,0|1,1,0]=4 7658 B11R0.154 CC[C@H](C)CC(=O)C=CCOC 1458a_100016285016_100009816398 [0,2,0,0,0,0|1,0,0]=3 7659 B11R0.154 CC[C@H](C)CC(=O)CCCC#N 1458a_100000075515_100009816398 [0,2,0,0,0,0|1,0,0]=3 7660 B11R0.154 CC[C@H](C)CC(=O)CCCCO 1458a_100000695505_100009816398 [0,2,0,0,0,0|1,0,0]=3 7661 B11R0.154 CC[C@H](C)CC(=O)CCCOC 1458a_100000741012_100009816398 [0,2,0,0,0,0|1,0,0]=3 7662 B11R0.154 CC[C@H](C)CC(=O)CCCSC 1458a_100000173376_100009816398 [0,2,0,0,0,0|1,0,0]=3 7663 B11R0.154 CC[C@H](C)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100009816398 [0,2,0,0,0,0|2,0,0]=4 7664 B11R0.154 CC[C@H](C)CC(=O)COCCO 1458a_100000708028_100009816398 [0,2,0,0,0,0|0,0,0]=2 7665 B11R0.154 CC[C@H](C)CC(=O)CSCC#N 1458a_100000150266_100009816398 [0,2,0,0,0,0|0,1,1]=4 7666 B11R0.154 COCC=CC(=O)C[C@@H](C)CO 1458a_100016285016_100000059175 [0,2,0,0,0,0|2,0,0]=4 7667 B11R0.154 COCCCC(=O)C[C@@H](C)CO 1458a_100000741012_100000059175 [0,2,0,0,0,0|2,0,0]=4 7668 B11R0.154 CSCCCC(=O)C[C@@H](C)CO 1458a_100000173376_100000059175 [0,2,0,0,0,0|2,0,0]=4 7669 B11R0.154 C[C@@H](CO)CC(=O)CCCC#N 1458a_100000075515_100000059175 [0,2,0,0,0,0|2,0,0]=4 7670 B11R0.154 C[C@@H](CO)CC(=O)CCCCO 1458a_100000695505_100000059175 [0,2,0,0,0,0|2,0,0]=4 7671 B11R0.154 C[C@@H](CO)CC(=O)COCCO 1458a_100000708028_100000059175 [0,2,0,0,0,0|1,0,0]=3 7672 B11R0.154 C[C@H](CF)NC(=O)COCCO 1626a_100102880703_100000708028 [0,2,0,0,0,0|2,0,0]=4 7673 B11R0.154 C[C@H](CF)NC(=O)COCCO 240690a_100102880703_100000708028 [0,2,0,0,0,0|2,0,0]=4 7674 B11R0.154 C[C@H](CO)NC(=O)COCCO 240690a_100000737577_100000708028 [0,2,0,0,0,0|2,0,0]=4 7675 B11R0.163 C=C(CN(C)C(C)C)OCOC 269982a_200000211004_100000042856 [0,2,0,0,0,0|2,0,0]=4 7676 B11R0.163 C=CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000033060 [0,2,0,0,0,0|1,0,1]=4 7677 B11R0.163 CC(C)C(C)NC(=O)NCCF 2708a_100000211541_100000724931 [0,2,0,0,0,0|2,0,0]=4 7678 B11R0.163 CC(C)C(C)NC(=O)NCCF 273464a_100000211541_100000724931 [0,2,0,0,0,0|2,0,0]=4 7679 B11R0.163 CC(C)C(C)NC(=O)NCCF 273464a_100000724931_100000211541 [0,2,0,0,0,0|2,0,0]=4 7680 B11R0.163 CC(C)C(C)NC(=O)NCCF 512a_100000211541_100000724931 [0,2,0,0,0,0|2,0,0]=4 7681 B11R0.163 CC(C)C(C)NC(=O)NCCO 2708a_100000211541_100000210304 [0,2,0,0,0,0|2,0,0]=4 7682 B11R0.163 CC(C)C(C)NC(=O)NCCO 273464a_100000210304_100000211541 [0,2,0,0,0,0|2,0,0]=4 7683 B11R0.163 CC(C)C(C)NC(=O)NCCO 273464a_100000211541_100000210304 [0,2,0,0,0,0|2,0,0]=4 7684 B11R0.163 CC(C)C(C)NC(=O)NCCO 512a_100000211541_100000210304 [0,2,0,0,0,0|2,0,0]=4 7685 B11R0.163 CC(C)N(C)CC(=O)CCCF 1458a_100000743827_100011934791 [0,2,0,0,0,0|2,0,0]=4 7686 B11R0.163 CC(C)N(C)CC(=O)CCCO 1458a_100000743827_100011215043 [0,2,0,0,0,0|2,0,0]=4 7687 B11R0.163 CC(C)N(C)CC(=O)NCCF 11a_100000724931_100000743827 [0,2,0,0,0,0|2,0,0]=4 7688 B11R0.163 CC(C)N(C)CC(=O)NCCF 1626a_100000724931_100000743827 [0,2,0,0,0,0|2,0,0]=4 7689 B11R0.163 CC(C)N(C)CC(=O)NCCF 240690a_100000724931_100000743827 [0,2,0,0,0,0|2,0,0]=4 7690 B11R0.163 CC(C)N(C)CC(=O)NCCF 527a_100000724931_100000743827 [0,2,0,0,0,0|2,0,0]=4 7691 B11R0.163 CC(C)N(C)CC(=O)NCCO 240690a_100000210304_100000743827 [0,2,0,0,0,0|2,0,0]=4 7692 B11R0.163 CC(C)N(C)CC(=O)NCCO 527a_100000210304_100000743827 [0,2,0,0,0,0|2,0,0]=4 7693 B11R0.163 CC(CC(=O)CCCF)N(C)C 1458a_100011311895_100011934791 [0,2,0,0,0,0|2,0,0]=4 7694 B11R0.163 CC(CC(=O)CCCO)N(C)C 1458a_100011311895_100011215043 [0,2,0,0,0,0|2,0,0]=4 7695 B11R0.163 CC(CC(=O)NCCF)N(C)C 1626a_100000724931_100011311895 [0,2,0,0,0,0|2,0,0]=4 7696 B11R0.163 CC(CC(=O)NCCF)N(C)C 240690a_100000724931_100011311895 [0,2,0,0,0,0|2,0,0]=4 7697 B11R0.163 CC(CC(=O)NCCO)N(C)C 240690a_100000210304_100011311895 [0,2,0,0,0,0|2,0,0]=4 7698 B11R0.163 CCC=CC(=O)NC(C)C(C)C 11a_100000211541_100000212282 [0,2,0,0,0,0|2,0,0]=4 7699 B11R0.163 CCC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000212282 [0,2,0,0,0,0|2,0,0]=4 7700 B11R0.163 CCC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000212282 [0,2,0,0,0,0|2,0,0]=4 7701 B11R0.163 CCCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210211 [0,2,0,0,0,0|2,0,0]=4 7702 B11R0.163 CCCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210211 [0,2,0,0,0,0|2,0,0]=4 7703 B11R0.163 CCCCC(=O)NC(C)C(C)C 11a_100000211541_100000210183 [0,2,0,0,0,0|2,0,0]=4 7704 B11R0.163 CCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000210183 [0,2,0,0,0,0|2,0,0]=4 7705 B11R0.163 CCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000210183 [0,2,0,0,0,0|2,0,0]=4 7706 B11R0.163 CCCCC(=O)NC(C)C(C)C 527a_100000211541_100000210183 [0,2,0,0,0,0|2,0,0]=4 7707 B11R0.163 CCCNC(=O)CC(C)N(C)C 1626a_100020643023_100011311895 [0,2,0,0,0,0|2,0,0]=4 7708 B11R0.163 CCCNC(=O)CC(C)N(C)C 240690a_100020643023_100011311895 [0,2,0,0,0,0|2,0,0]=4 7709 B11R0.163 CCCNC(=O)CN(C)C(C)C 11a_100020643023_100000743827 [0,2,0,0,0,0|2,0,0]=4 7710 B11R0.163 CCCNC(=O)CN(C)C(C)C 1626a_100020643023_100000743827 [0,2,0,0,0,0|2,0,0]=4 7711 B11R0.163 CCCNC(=O)CN(C)C(C)C 2230a_100000684209_100000210206 [0,2,0,0,0,0|2,0,0]=4 7712 B11R0.163 CCCNC(=O)CN(C)C(C)C 240690a_100020643023_100000743827 [0,2,0,0,0,0|2,0,0]=4 7713 B11R0.163 CCCNC(=O)CN(C)C(C)C 269982a_100000684209_100000210206 [0,2,0,0,0,0|2,0,0]=4 7714 B11R0.163 CCCNC(=O)CN(C)C(C)C 269982a_200000211004_100000183358 [0,2,0,0,0,0|2,0,0]=4 7715 B11R0.163 CCCNC(=O)CN(C)C(C)C 527a_100020643023_100000743827 [0,2,0,0,0,0|2,0,0]=4 7716 B11R0.163 CCCNC(=O)NC(C)C(C)C 2708a_100000211541_100020643023 [0,2,0,0,0,0|2,0,0]=4 7717 B11R0.163 CCCNC(=O)NC(C)C(C)C 2708a_100020643023_100000211541 [0,2,0,0,0,0|2,0,0]=4 7718 B11R0.163 CCCNC(=O)NC(C)C(C)C 273464a_100000211541_100020643023 [0,2,0,0,0,0|2,0,0]=4 7719 B11R0.163 CCCNC(=O)NC(C)C(C)C 273464a_100020643023_100000211541 [0,2,0,0,0,0|2,0,0]=4 7720 B11R0.163 CCCNC(=O)NC(C)C(C)C 512a_100000211541_100020643023 [0,2,0,0,0,0|2,0,0]=4 7721 B11R0.163 CCCNC(=O)NC(C)C(C)C 512a_100020643023_100000211541 [0,2,0,0,0,0|2,0,0]=4 7722 B11R0.163 CCCOC(=O)CC(=O)C(C)C 1458a_100000210198_200011215008 [0,2,0,0,0,0|1,0,1]=4 7723 B11R0.163 CCCOC(=O)CC(=O)C(C)F 1458a_100000062450_200011215008 [0,2,0,0,0,0|1,0,1]=4 7724 B11R0.163 CCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200011215008 [0,2,0,0,0,0|1,0,1]=4 7725 B11R0.163 CCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200011215008 [0,2,0,0,0,0|1,0,1]=4 7726 B11R0.163 CCCOC(=O)CN(C)C(C)C 269982a_200000211004_200011215008 [0,2,0,0,0,0|1,0,0]=3 7727 B11R0.163 CCNNC(=O)CC(C)N(C)C 22a_100000756455_100011311895 [0,2,0,0,0,0|2,0,0]=4 7728 B11R0.163 CCNNC(=O)CN(C)C(C)C 22a_100000756455_100000743827 [0,2,0,0,0,0|2,0,0]=4 7729 B11R0.163 CCNNC(=O)NC(C)C(C)C 273464a_100000211541_100000756455 [0,2,0,0,0,0|2,0,0]=4 7730 B11R0.163 CCNNC(=O)NC(C)C(C)C 512a_100000211541_100000756455 [0,2,0,0,0,0|2,0,0]=4 7731 B11R0.163 CCNNC(=O)NC(C)C(C)C 512a_100000756455_100000211541 [0,2,0,0,0,0|2,0,0]=4 7732 B11R0.163 CCOCC(=O)CC(=O)C(C)C 1458a_100000211967_100000753385 [0,2,0,0,0,0|1,0,1]=4 7733 B11R0.163 CCOCC(=O)NC(C)C(C)C 11a_100000211541_100000211967 [0,2,0,0,0,0|1,0,0]=3 7734 B11R0.163 CCOCC(=O)NC(C)C(C)C 1626a_100000211541_100000211967 [0,2,0,0,0,0|1,0,0]=3 7735 B11R0.163 CCOCC(=O)NC(C)C(C)C 240690a_100000211541_100000211967 [0,2,0,0,0,0|1,0,0]=3 7736 B11R0.163 CCOCC(=O)NC(C)C(C)C 527a_100000211541_100000211967 [0,2,0,0,0,0|1,0,0]=3 7737 B11R0.163 CCSCC(=O)NC(C)C(C)C 11a_100000211541_100000230394 [0,2,0,0,0,0|1,1,0]=4 7738 B11R0.163 CCSCC(=O)NC(C)C(C)C 1626a_100000211541_100000230394 [0,2,0,0,0,0|1,1,0]=4 7739 B11R0.163 CCSCC(=O)NC(C)C(C)C 240690a_100000211541_100000230394 [0,2,0,0,0,0|1,1,0]=4 7740 B11R0.163 CCSCC(=O)NC(C)C(C)C 527a_100000211541_100000230394 [0,2,0,0,0,0|1,1,0]=4 7741 B11R0.163 COCCC(=O)CC(C)N(C)C 1458a_100011311895_100000233755 [0,2,0,0,0,0|2,0,0]=4 7742 B11R0.163 COCCC(=O)CN(C)C(C)C 1458a_100000743827_100000233755 [0,2,0,0,0,0|2,0,0]=4 7743 B11R0.163 COCCC(=O)NC(C)C(C)C 11a_100000211541_100000749529 [0,2,0,0,0,0|2,0,0]=4 7744 B11R0.163 COCCC(=O)NC(C)C(C)C 1626a_100000211541_100000749529 [0,2,0,0,0,0|2,0,0]=4 7745 B11R0.163 COCCC(=O)NC(C)C(C)C 240690a_100000211541_100000749529 [0,2,0,0,0,0|2,0,0]=4 7746 B11R0.163 COCCC(=O)NC(C)C(C)C 527a_100000211541_100000749529 [0,2,0,0,0,0|2,0,0]=4 7747 B11R0.163 CSCCC(=O)CC(C)N(C)C 1458a_100011311895_100000751147 [0,2,0,0,0,0|2,0,0]=4 7748 B11R0.163 CSCCC(=O)CN(C)C(C)C 1458a_100000743827_100000751147 [0,2,0,0,0,0|2,0,0]=4 7749 B11R0.163 CSCCC(=O)NC(C)C(C)C 11a_100000211541_100000174002 [0,2,0,0,0,0|2,0,0]=4 7750 B11R0.163 CSCCC(=O)NC(C)C(C)C 1626a_100000211541_100000174002 [0,2,0,0,0,0|2,0,0]=4 7751 B11R0.163 CSCCC(=O)NC(C)C(C)C 240690a_100000211541_100000174002 [0,2,0,0,0,0|2,0,0]=4 7752 B11R0.163 CSCCC(=O)NC(C)C(C)C 527a_100000211541_100000174002 [0,2,0,0,0,0|2,0,0]=4 7753 B11R0.166 CCC(C)CC(CC)OCCF 7a_200011216566_100011217306 [0,2,0,0,0,0|1,0,1]=4 7754 B11R0.166 CCC(C)CC(CC)OCCO 7a_200011216566_100000211926 [0,2,0,0,0,0|1,0,1]=4 7755 B11R0.166 CCCOC(CC)CC(C)CC 7a_200011216566_100000210303 [0,2,0,0,0,0|1,0,1]=4 7756 B11R0.166 CCNN=C(CC)CC(C)CC 4a_100000756455_100000184709 [0,2,0,0,0,0|2,0,0]=4 7757 B11R0.33 CC(=O)C(C)OC(=O)OC(C)C 1458a_100000070787_100000067433 [0,2,0,0,0,0|1,0,1]=4 7758 B11R0.33 CC(C)C(C)NC(=O)C[C@@H](C)O 240690a_100000211541_100011933948 [0,2,0,0,0,0|2,0,0]=4 7759 B11R0.33 CC(C)CC(=O)CC(C)N(C)C 1458a_100011311895_100000210624 [0,2,0,0,0,0|2,0,0]=4 7760 B11R0.33 CC(C)CC(=O)CN(C)C(C)C 1458a_100000743827_100000210624 [0,2,0,0,0,0|2,0,0]=4 7761 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 11a_100000211541_100000210554 [0,2,0,0,0,0|2,0,0]=4 7762 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 1626a_100000211541_100000210554 [0,2,0,0,0,0|2,0,0]=4 7763 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 240690a_100000211541_100000210554 [0,2,0,0,0,0|2,0,0]=4 7764 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 527a_100000211541_100000210554 [0,2,0,0,0,0|2,0,0]=4 7765 B11R0.33 CC(C)NC(=O)CC(C)N(C)C 1626a_100138425928_100011311895 [0,2,0,0,0,0|2,0,0]=4 7766 B11R0.33 CC(C)NC(=O)CC(C)N(C)C 240690a_100138425928_100011311895 [0,2,0,0,0,0|2,0,0]=4 7767 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 11a_100138425928_100000743827 [0,2,0,0,0,0|2,0,0]=4 7768 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 1626a_100138425928_100000743827 [0,2,0,0,0,0|2,0,0]=4 7769 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 2230a_100000168146_100000210206 [0,2,0,0,0,0|2,0,0]=4 7770 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 240690a_100138425928_100000743827 [0,2,0,0,0,0|2,0,0]=4 7771 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 269982a_100000168146_100000210206 [0,2,0,0,0,0|2,0,0]=4 7772 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 269982a_200000211004_100000183996 [0,2,0,0,0,0|2,0,0]=4 7773 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 527a_100138425928_100000743827 [0,2,0,0,0,0|2,0,0]=4 7774 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 2708a_100000211541_100138425928 [0,2,0,0,0,0|2,0,0]=4 7775 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 2708a_100138425928_100000211541 [0,2,0,0,0,0|2,0,0]=4 7776 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 273464a_100138425928_100000211541 [0,2,0,0,0,0|2,0,0]=4 7777 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 512a_100000211541_100138425928 [0,2,0,0,0,0|2,0,0]=4 7778 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 512a_100138425928_100000211541 [0,2,0,0,0,0|2,0,0]=4 7779 B11R0.33 CC(C)OC(=O)CC(=O)C(C)C 1458a_100000210198_100011215430 [0,2,0,0,0,0|1,0,1]=4 7780 B11R0.33 CC(C)OC(=O)CC(=O)C(C)F 1458a_100000062450_100011215430 [0,2,0,0,0,0|1,0,1]=4 7781 B11R0.33 CC(C)OC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100011215430 [0,2,0,0,0,0|1,0,1]=4 7782 B11R0.33 CC(C)OC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100011215430 [0,2,0,0,0,0|1,0,1]=4 7783 B11R0.33 CC(C)OC(=O)CN(C)C(C)C 269982a_200000211004_100011215430 [0,2,0,0,0,0|1,0,0]=3 7784 B11R0.33 CC(C)OC(=O)OC(C)N(C)C 269982a_100102631434_100000067433 [0,2,0,0,0,0|2,0,0]=4 7785 B11R0.33 CC(O)CC(=O)CC(C)N(C)C 1458a_100011311895_100011218427 [0,2,0,0,0,0|2,0,0]=4 7786 B11R0.33 CC(O)CC(=O)CN(C)C(C)C 1458a_100000743827_100011218427 [0,2,0,0,0,0|2,0,0]=4 7787 B11R0.54 CCCC(=O)CC(C)C(F)(F)F 1458a_100000031924_100000210303 [0,2,0,0,0,0|2,0,0]=4 7788 B11R0.54 CCCC(=O)CN(C)C(C)(C)C 269982a_100011215553_100000747444 [0,2,0,0,0,0|2,0,0]=4 7789 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000211992 [0,2,0,0,0,0|2,0,0]=4 7790 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000211992 [0,2,0,0,0,0|2,0,0]=4 7791 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100000211992 [0,2,0,0,0,0|2,0,0]=4 7792 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100000211992 [0,2,0,0,0,0|2,0,0]=4 7793 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100000211992 [0,2,0,0,0,0|2,0,0]=4 7794 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100000211992 [0,2,0,0,0,0|2,0,0]=4 7795 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100000211992 [0,2,0,0,0,0|2,0,0]=4 7796 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100000211992 [0,2,0,0,0,0|2,0,0]=4 7797 B11R0.54 CCNC(=O)CC(C)C(F)(F)F 11a_100015525214_100000031924 [0,2,0,0,0,0|2,0,0]=4 7798 B11R0.54 CCNC(=O)CC(C)C(F)(F)F 240690a_100015525214_100000031924 [0,2,0,0,0,0|2,0,0]=4 7799 B11R0.54 CCNC(=O)CC(C)C(F)(F)F 527a_100015525214_100000031924 [0,2,0,0,0,0|2,0,0]=4 7800 B11R0.54 CCNC(=O)CN(C)C(C)(C)C 269982a_100000741943_100000210625 [0,2,0,0,0,0|2,0,0]=4 7801 B11R0.54 CCNC(=O)CN(C)C(C)(C)C 269982a_100011215553_100000183381 [0,2,0,0,0,0|2,0,0]=4 7802 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 2708a_100015525214_100025708725 [0,2,0,0,0,0|2,0,0]=4 7803 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 273464a_100015525214_100025708725 [0,2,0,0,0,0|2,0,0]=4 7804 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 512a_100015525214_100025708725 [0,2,0,0,0,0|2,0,0]=4 7805 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 512a_100025708725_100015525214 [0,2,0,0,0,0|2,0,0]=4 7806 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 2708a_100015525214_100025703359 [0,2,0,0,0,0|2,0,0]=4 7807 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 2708a_100025703359_100015525214 [0,2,0,0,0,0|2,0,0]=4 7808 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 273464a_100015525214_100025703359 [0,2,0,0,0,0|2,0,0]=4 7809 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 512a_100015525214_100025703359 [0,2,0,0,0,0|2,0,0]=4 7810 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 512a_100025703359_100015525214 [0,2,0,0,0,0|2,0,0]=4 7811 B11R0.54 CCOC(=O)CC(=O)C(C)(C)C 1458a_106744555173_100000188475 [0,2,0,0,0,0|1,0,1]=4 7812 B11R0.54 CCOC(=O)CC(=O)C(C)(C)F 1458a_100000765255_100000188475 [0,2,0,0,0,0|1,0,1]=4 7813 B11R0.54 CCOC(=O)CC(=O)C(C)(C)O 1458a_100000242741_100000188475 [0,2,0,0,0,0|1,0,1]=4 7814 B11R0.54 CCOC(=O)CN(C)C(C)(C)C 2230a_100000745656_200000210301 [0,2,0,0,0,0|1,0,0]=3 7815 B11R0.54 CCOC(=O)CN(C)C(C)(C)C 269982a_100000745656_200000210301 [0,2,0,0,0,0|1,0,0]=3 7816 B11R0.54 CCOC(=O)CN(C)C(C)(C)C 269982a_100011215553_100000188475 [0,2,0,0,0,0|1,0,0]=3 7817 B11R0.54 CCOC(=O)CN(C)S(=O)(=O)C 40a_100000220588_100000738038 [0,2,0,0,0,0|2,0,0]=4 7818 B11R0.54 CCOC(=O)CN([13CH3])C(C)(C)C 2230a_100000745656_200025704644 [0,2,0,0,0,0|1,0,0]=3 7819 B11R0.54 CCOC(=O)CN([13CH3])C(C)(C)C 269982a_100000745656_200025704644 [0,2,0,0,0,0|1,0,0]=3 7820 B11R0.55 CCCC(=O)CN(CC)C(C)C 2230a_100000223864_100000747444 [0,2,0,0,0,0|2,0,0]=4 7821 B11R0.55 CCCC(=O)CN(CC)C(C)C 269982a_100000223864_100000747444 [0,2,0,0,0,0|2,0,0]=4 7822 B11R0.55 CCCC(=O)NC(CC)C(C)C 11a_100000745074_100000211992 [0,2,0,0,0,0|2,0,0]=4 7823 B11R0.55 CCCC(=O)NC(CC)C(C)C 1626a_100000745074_100000211992 [0,2,0,0,0,0|2,0,0]=4 7824 B11R0.55 CCCC(=O)NC(CC)C(C)C 240690a_100000745074_100000211992 [0,2,0,0,0,0|2,0,0]=4 7825 B11R0.55 CCCC(=O)NC(CC)C(C)C 527a_100000745074_100000211992 [0,2,0,0,0,0|2,0,0]=4 7826 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 11a_100161114882_100000211992 [0,2,0,0,0,0|2,0,0]=4 7827 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 1626a_100161114882_100000211992 [0,2,0,0,0,0|2,0,0]=4 7828 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 240690a_100161114882_100000211992 [0,2,0,0,0,0|2,0,0]=4 7829 B11R0.55 CCCC(=O)N[C@@H](CC)[C@@H](C)O 527a_100161114882_100000211992 [0,2,0,0,0,0|2,0,0]=4 7830 B11R0.55 CCCC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100000211992 [0,2,0,0,0,0|2,0,0]=4 7831 B11R0.55 CCCC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100000211992 [0,2,0,0,0,0|2,0,0]=4 7832 B11R0.55 CCCC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100000211992 [0,2,0,0,0,0|2,0,0]=4 7833 B11R0.55 CCCC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100000211992 [0,2,0,0,0,0|2,0,0]=4 7834 B11R0.55 CCNC(=O)CN(CC)C(C)C 2230a_100000223864_100000183381 [0,2,0,0,0,0|2,0,0]=4 7835 B11R0.55 CCNC(=O)CN(CC)C(C)C 269982a_100000223864_100000183381 [0,2,0,0,0,0|2,0,0]=4 7836 B11R0.55 CCNC(=O)NC(CC)C(C)C 2708a_100000745074_100015525214 [0,2,0,0,0,0|2,0,0]=4 7837 B11R0.55 CCNC(=O)NC(CC)C(C)C 2708a_100015525214_100000745074 [0,2,0,0,0,0|2,0,0]=4 7838 B11R0.55 CCNC(=O)NC(CC)C(C)C 273464a_100000745074_100015525214 [0,2,0,0,0,0|2,0,0]=4 7839 B11R0.55 CCNC(=O)NC(CC)C(C)C 273464a_100015525214_100000745074 [0,2,0,0,0,0|2,0,0]=4 7840 B11R0.55 CCNC(=O)NC(CC)C(C)C 512a_100000745074_100015525214 [0,2,0,0,0,0|2,0,0]=4 7841 B11R0.55 CCNC(=O)NC(CC)C(C)C 512a_100015525214_100000745074 [0,2,0,0,0,0|2,0,0]=4 7842 B11R0.55 CCNC(=O)N[C@@H](CC)[C@@H](C)O 2708a_100015525214_100161114882 [0,2,0,0,0,0|2,0,0]=4 7843 B11R0.55 CCNC(=O)N[C@@H](CC)[C@@H](C)O 512a_100015525214_100161114882 [0,2,0,0,0,0|2,0,0]=4 7844 B11R0.55 CCNC(=O)N[C@@H](CC)[C@@H](C)O 512a_100161114882_100015525214 [0,2,0,0,0,0|2,0,0]=4 7845 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 2708a_100015525214_100011830312 [0,2,0,0,0,0|2,0,0]=4 7846 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 273464a_100011830312_100015525214 [0,2,0,0,0,0|2,0,0]=4 7847 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 273464a_100015525214_100011830312 [0,2,0,0,0,0|2,0,0]=4 7848 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 512a_100011830312_100015525214 [0,2,0,0,0,0|2,0,0]=4 7849 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 512a_100015525214_100011830312 [0,2,0,0,0,0|2,0,0]=4 7850 B11R0.55 CCNC(=O)N[C@H](CO)[C@@H](C)O 2708a_100015525214_100015196842 [0,2,0,0,0,0|2,0,0]=4 7851 B11R0.55 CCNC(=O)N[C@H](CO)[C@@H](C)O 512a_100015196842_100015525214 [0,2,0,0,0,0|2,0,0]=4 7852 B11R0.55 CCNC(=O)N[C@H](CO)[C@@H](C)O 512a_100015525214_100015196842 [0,2,0,0,0,0|2,0,0]=4 7853 B11R0.55 CCOC(=O)CN(CC)C(=O)C 11a_100000220607_100015343762 [0,2,0,0,0,0|1,0,0]=3 7854 B11R0.55 CCOC(=O)CN(CC)C(=O)C 1626a_100000220607_100015343762 [0,2,0,0,0,0|1,0,0]=3 7855 B11R0.55 CCOC(=O)CN(CC)C(=O)C 240690a_100000220607_100015343762 [0,2,0,0,0,0|1,0,0]=3 7856 B11R0.55 CCOC(=O)CN(CC)C(=O)C 527a_100000220607_100103153847 [0,2,0,0,0,0|1,0,0]=3 7857 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000220607_100000210206 [0,2,0,0,0,0|1,0,0]=3 7858 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000223864_100000188475 [0,2,0,0,0,0|1,0,0]=3 7859 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000717205_100000210202 [0,2,0,0,0,0|1,0,0]=3 7860 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000220607_100000210206 [0,2,0,0,0,0|1,0,0]=3 7861 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000223864_100000188475 [0,2,0,0,0,0|1,0,0]=3 7862 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000717205_100000204670 [0,2,0,0,0,0|1,0,0]=3 7863 B11R0.55 CCOC(=O)CN(CF)C(C)C 269982a_100000717205_100015361967 [0,2,0,0,0,0|1,0,0]=3 7864 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 11a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 7865 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 1626a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 7866 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 240690a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 7867 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 527a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 7868 B11R0.58 CCNC(=O)C(C)N(C)C(C)C 269982a_200000211004_100000230173 [0,2,0,0,0,0|2,0,0]=4 7869 B11R0.58 CCNC(=O)N(C)C(C)C(C)C 2708a_100015525214_100000228512 [0,2,0,0,0,0|2,0,0]=4 7870 B11R0.58 CCNC(=O)N(C)C(C)C(C)C 273464a_100015525214_100000228512 [0,2,0,0,0,0|2,0,0]=4 7871 B11R0.58 CCOC(=O)C(=O)C(C)N(C)C 2230a_100102631434_100010256902 [0,2,0,0,0,0|1,0,1]=4 7872 B11R0.58 CCOC(=O)C(=O)C(C)N(C)C 269982a_100102631434_100010256902 [0,2,0,0,0,0|1,0,1]=4 7873 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 11a_200000211004_100014798877 [0,2,0,0,0,0|1,0,1]=4 7874 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 1626a_200000211004_100014798877 [0,2,0,0,0,0|1,0,1]=4 7875 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 240690a_200000211004_100014798877 [0,2,0,0,0,0|1,0,1]=4 7876 B11R0.58 CCOC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100011216346 [0,2,0,0,0,0|1,0,1]=4 7877 B11R0.58 CCOC(=O)C(C)C(=O)C(C)C 1458a_100132301724_100000210206 [0,2,0,0,0,0|1,0,1]=4 7878 B11R0.58 CCOC(=O)C(C)C(=O)C(C)F 1458a_100000062450_100011216346 [0,2,0,0,0,0|1,0,1]=4 7879 B11R0.58 CCOC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100011216346 [0,2,0,0,0,0|1,0,1]=4 7880 B11R0.58 CCOC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100011216346 [0,2,0,0,0,0|1,0,1]=4 7881 B11R0.58 CCOC(=O)C(C)N(C)C(C)C 269982a_200000211004_100011216346 [0,2,0,0,0,0|1,0,0]=3 7882 B11R0.58 CCOC(=O)C(F)C(=O)C(C)C 1458a_100000210198_100000760018 [0,2,0,0,0,0|1,0,1]=4 7883 B11R0.58 CCOC(=O)C(F)C(=O)C(C)F 1458a_100000062450_100000760018 [0,2,0,0,0,0|1,0,1]=4 7884 B11R0.58 CCOC(=O)C(F)C(=O)[C@@H](C)O 1458a_100000717761_100000760018 [0,2,0,0,0,0|1,0,1]=4 7885 B11R0.58 CCOC(=O)C(F)C(=O)[C@H](C)O 1458a_217856618621_100000760018 [0,2,0,0,0,0|1,0,1]=4 7886 B11R0.58 CCOC(=O)C(F)N(C)C(C)C 269982a_200000211004_100000760018 [0,2,0,0,0,0|1,0,0]=3 7887 B11R0.117 CCC(C)C(=O)CC(C)N(C)C 1458a_100011311895_100000758301 [0,2,0,0,0,0|2,0,0]=4 7888 B11R0.117 CCC(C)C(=O)CN(C)C(C)C 1458a_100000743827_100000758301 [0,2,0,0,0,0|2,0,0]=4 7889 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 11a_100000211541_100011192722 [0,2,0,0,0,0|2,0,0]=4 7890 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 1626a_100000211541_100011192722 [0,2,0,0,0,0|2,0,0]=4 7891 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 240690a_100000211541_100011192722 [0,2,0,0,0,0|2,0,0]=4 7892 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 527a_100000211541_100011192722 [0,2,0,0,0,0|2,0,0]=4 7893 B11R0.117 CCC(O)C(=O)NC(C)C(C)C 240690a_100000211541_100011196387 [0,2,0,0,0,0|2,0,0]=4 7894 B11R0.117 CCN(C)C(=O)CC(C)N(C)C 1626a_100000225621_100011311895 [0,2,0,0,0,0|2,0,0]=4 7895 B11R0.117 CCN(C)C(=O)CC(C)N(C)C 240690a_100000225621_100011311895 [0,2,0,0,0,0|2,0,0]=4 7896 B11R0.117 CCN(C)C(=O)CN(C)C(C)C 11a_100000225621_100000743827 [0,2,0,0,0,0|2,0,0]=4 7897 B11R0.117 CCN(C)C(=O)CN(C)C(C)C 1626a_100000225621_100000743827 [0,2,0,0,0,0|2,0,0]=4 7898 B11R0.117 CCN(C)C(=O)CN(C)C(C)C 240690a_100000225621_100000743827 [0,2,0,0,0,0|2,0,0]=4 7899 B11R0.117 CCN(C)C(=O)CN(C)C(C)C 269982a_200000211004_100000738999 [0,2,0,0,0,0|2,0,0]=4 7900 B11R0.117 CCN(C)C(=O)CN(C)C(C)C 527a_100000225621_100000743827 [0,2,0,0,0,0|2,0,0]=4 7901 B11R0.117 CCN(C)C(=O)NC(C)C(C)C 2708a_100000211541_100000225621 [0,2,0,0,0,0|2,0,0]=4 7902 B11R0.117 CCN(C)C(=O)NC(C)C(C)C 273464a_100000211541_100000225621 [0,2,0,0,0,0|2,0,0]=4 7903 B11R0.91 CCC(C)CC(CC)OC(C)C 7a_200011216566_100000210206 [0,2,0,0,0,0|1,0,1]=4 7904 B11R0.188 CCOC(C)(CC)CC(C)CC 7a_200011290774_100000210202 [0,2,0,0,0,0|1,0,1]=4 7905 B11R0.19 CCC(CC)CC(=O)C=C(C)C 1458a_100000211388_100011215472 [0,2,0,0,0,0|1,0,1]=4 7906 B11R0.19 CCC(CC)CC(=O)C=C(C)Cl 1458a_200042562850_100011215472 [0,2,0,0,0,0|1,0,1]=4 7907 B11R0.19 CCC(CC)CC(=O)C=C(C)I 1458a_100025716642_100011215472 [0,2,0,0,0,0|1,0,1]=4 7908 B11R0.19 CCC(CC)CC(=O)CC(C)C 1458a_100000210554_100011215472 [0,2,0,0,0,0|1,0,0]=3 7909 B11R0.19 CCC(CC)CC(=O)CN(C)C 1458a_100000750896_100011215472 [0,2,0,0,0,0|2,0,0]=4 7910 B11R0.19 CCC(CC)CC(=O)C[C@@H](C)O 1458a_100011933948_100011215472 [0,2,0,0,0,0|1,0,0]=3 7911 B11R0.19 CCC(CC)CC(=O)C[S+](C)C 1458a_200159257847_100011215472 [0,2,0,0,0,0|2,0,0]=4 7912 B11R0.19 CCC(CC)NC(=O)CC(C)C 11a_100000199018_100000210554 [0,2,0,0,0,0|2,0,0]=4 7913 B11R0.19 CCC(CC)NC(=O)CC(C)C 1626a_100000199018_100000210554 [0,2,0,0,0,0|2,0,0]=4 7914 B11R0.19 CCC(CC)NC(=O)CC(C)C 240690a_100000199018_100000210554 [0,2,0,0,0,0|2,0,0]=4 7915 B11R0.19 CCC(CC)NC(=O)CC(C)C 527a_100000199018_100000210554 [0,2,0,0,0,0|2,0,0]=4 7916 B11R0.19 CCC(CC)NC(=O)C[C@@H](C)O 240690a_100000199018_100011933948 [0,2,0,0,0,0|2,0,0]=4 7917 B11R0.19 CCC(CC)NC(=O)NC(C)C 2708a_100000199018_100138425928 [0,2,0,0,0,0|2,0,0]=4 7918 B11R0.19 CCC(CC)NC(=O)NC(C)C 2708a_100138425928_100000199018 [0,2,0,0,0,0|2,0,0]=4 7919 B11R0.19 CCC(CC)NC(=O)NC(C)C 273464a_100138425928_100000199018 [0,2,0,0,0,0|2,0,0]=4 7920 B11R0.19 CCC(CC)NC(=O)NC(C)C 512a_100000199018_100138425928 [0,2,0,0,0,0|2,0,0]=4 7921 B11R0.19 CCC(CC)NC(=O)NC(C)C 512a_100138425928_100000199018 [0,2,0,0,0,0|2,0,0]=4 7922 B11R0.19 CCN(CC)CC(=O)CC(C)C 1458a_100000758533_100000210624 [0,2,0,0,0,0|2,0,0]=4 7923 B11R0.19 CCN(CC)CC(=O)CC(C)O 1458a_100000758533_100011218427 [0,2,0,0,0,0|2,0,0]=4 7924 B11R0.19 CCN(CC)CC(=O)NC(C)C 11a_100138425928_100000758533 [0,2,0,0,0,0|2,0,0]=4 7925 B11R0.19 CCN(CC)CC(=O)NC(C)C 1626a_100138425928_100000758533 [0,2,0,0,0,0|2,0,0]=4 7926 B11R0.19 CCN(CC)CC(=O)NC(C)C 2230a_100000724800_100000183996 [0,2,0,0,0,0|2,0,0]=4 7927 B11R0.19 CCN(CC)CC(=O)NC(C)C 240690a_100138425928_100000758533 [0,2,0,0,0,0|2,0,0]=4 7928 B11R0.19 CCN(CC)CC(=O)NC(C)C 269956a_100000042499_100000183996 [0,2,0,0,0,0|2,0,0]=4 7929 B11R0.19 CCN(CC)CC(=O)NC(C)C 269982a_100000724800_100000183996 [0,2,0,0,0,0|2,0,0]=4 7930 B11R0.19 CCN(CC)CC(=O)NC(C)C 527a_100138425928_100000758533 [0,2,0,0,0,0|2,0,0]=4 7931 B11R0.19 CCN(CC)CC(=O)OC(C)C 2230a_100000724800_100011215430 [0,2,0,0,0,0|1,0,0]=3 7932 B11R0.19 CCN(CC)CC(=O)OC(C)C 269956a_100000042499_100011215430 [0,2,0,0,0,0|1,0,0]=3 7933 B11R0.19 CCN(CC)CC(=O)OC(C)C 269982a_100000724800_100011215430 [0,2,0,0,0,0|1,0,0]=3 7934 B11R0.19 CC[C@@H](CO)NC(=O)CC(C)C 240690a_100000709445_100000210554 [0,2,0,0,0,0|2,0,0]=4 7935 B11R0.19 CC[C@@H](CO)NC(=O)CC(C)C 527a_100000709445_100000210554 [0,2,0,0,0,0|2,0,0]=4 7936 B11R0.19 CC[C@@H](CO)NC(=O)C[C@@H](C)O 240690a_100000709445_100011933948 [0,2,0,0,0,0|2,0,0]=4 7937 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 2708a_100138425928_100000709445 [0,2,0,0,0,0|2,0,0]=4 7938 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 273464a_100138425928_100000709445 [0,2,0,0,0,0|2,0,0]=4 7939 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 512a_100000709445_100138425928 [0,2,0,0,0,0|2,0,0]=4 7940 B11R0.19 CC[C@@H](CO)NC(=O)NC(C)C 512a_100138425928_100000709445 [0,2,0,0,0,0|2,0,0]=4 7941 B11R0.19 COC(CC(=O)CC(C)C)OC 1458a_100000082724_100000210624 [0,2,0,0,0,0|2,0,0]=4 7942 B11R0.19 COC(CC(=O)CC(C)C)OC 1458a_100000210554_100000751394 [0,2,0,0,0,0|2,0,0]=4 7943 B11R0.19 COC(CC(=O)CC(C)O)OC 1458a_100000082724_100011218427 [0,2,0,0,0,0|2,0,0]=4 7944 B11R0.19 COC(CC(=O)C[C@@H](C)O)OC 1458a_100011933948_100000751394 [0,2,0,0,0,0|2,0,0]=4 7945 B11R0.19 COC(CC(=O)NC(C)C)OC 11a_100138425928_100000082724 [0,2,0,0,0,0|2,0,0]=4 7946 B11R0.19 COC(CC(=O)NC(C)C)OC 1626a_100138425928_100000082724 [0,2,0,0,0,0|2,0,0]=4 7947 B11R0.19 COC(CC(=O)NC(C)C)OC 240690a_100138425928_100000082724 [0,2,0,0,0,0|2,0,0]=4 7948 B11R0.19 COC(CC(=O)NC(C)C)OC 527a_100138425928_100000082724 [0,2,0,0,0,0|2,0,0]=4 7949 B11R0.65 C/C=C(\C)/C(=O)CC(CC)CC 1458a_100020587367_100011215472 [0,2,0,0,0,0|1,0,1]=4 7950 B11R0.65 CCC(C)C(=O)CC(OC)OC 1458a_100000082724_100000758301 [0,2,0,0,0,0|2,0,0]=4 7951 B11R0.65 CCC(C)C(=O)CC(OC)OC 1458a_100011192722_100000751394 [0,2,0,0,0,0|2,0,0]=4 7952 B11R0.65 CCC(C)C(=O)CN(CC)CC 1458a_100000758533_100000758301 [0,2,0,0,0,0|2,0,0]=4 7953 B11R0.65 CCC(C)C(=O)N[C@@H](CC)CO 240690a_100000709445_100011192722 [0,2,0,0,0,0|2,0,0]=4 7954 B11R0.65 CCC(C)C(=O)N[C@@H](CC)CO 527a_100000709445_100011192722 [0,2,0,0,0,0|2,0,0]=4 7955 B11R0.65 CCC(CC)CC(=O)C(=O)NC 1458a_100011218921_100011215472 [0,2,0,0,0,0|2,0,0]=4 7956 B11R0.65 CCC(CC)CC(=O)C(C)CC 1458a_100011192722_100011215472 [0,2,0,0,0,0|1,0,0]=3 7957 B11R0.65 CCC(CC)CC(=O)C(C)OC 1458a_100000743197_100011215472 [0,2,0,0,0,0|2,0,0]=4 7958 B11R0.65 CCC(CC)CC(=O)C(C)SC 1458a_100000149566_100011215472 [0,2,0,0,0,0|2,0,0]=4 7959 B11R0.65 CCC(CC)CC(=O)C(O)CC 1458a_100011196387_100011215472 [0,2,0,0,0,0|1,0,0]=3 7960 B11R0.65 CCC(CC)CC(=O)C(O)CO 1458a_100011215603_100011215472 [0,2,0,0,0,0|2,0,0]=4 7961 B11R0.65 CCC(CC)NC(=O)C(C)CC 11a_100000199018_100011192722 [0,2,0,0,0,0|2,0,0]=4 7962 B11R0.65 CCC(CC)NC(=O)C(C)CC 1626a_100000199018_100011192722 [0,2,0,0,0,0|2,0,0]=4 7963 B11R0.65 CCC(CC)NC(=O)C(C)CC 240690a_100000199018_100011192722 [0,2,0,0,0,0|2,0,0]=4 7964 B11R0.65 CCC(CC)NC(=O)C(C)CC 527a_100000199018_100011192722 [0,2,0,0,0,0|2,0,0]=4 7965 B11R0.65 CCC(CC)NC(=O)C(O)CC 240690a_100000199018_100011196387 [0,2,0,0,0,0|2,0,0]=4 7966 B11R0.65 CCC(CC)NC(=O)N(C)CC 2708a_100000199018_100000225621 [0,2,0,0,0,0|2,0,0]=4 7967 B11R0.65 CCC(CC)NC(=O)N(C)CC 273464a_100000199018_100000225621 [0,2,0,0,0,0|2,0,0]=4 7968 B11R0.65 CCC(O)C(=O)CC(OC)OC 1458a_100011196387_100000751394 [0,2,0,0,0,0|2,0,0]=4 7969 B11R0.65 CCC(O)C(=O)N[C@@H](CC)CO 240690a_100000709445_100011196387 [0,2,0,0,0,0|2,0,0]=4 7970 B11R0.65 CCN(C)C(=O)CC(OC)OC 11a_100000225621_100000082724 [0,2,0,0,0,0|2,0,0]=4 7971 B11R0.65 CCN(C)C(=O)CC(OC)OC 1626a_100000225621_100000082724 [0,2,0,0,0,0|2,0,0]=4 7972 B11R0.65 CCN(C)C(=O)CC(OC)OC 240690a_100000225621_100000082724 [0,2,0,0,0,0|2,0,0]=4 7973 B11R0.65 CCN(C)C(=O)CC(OC)OC 527a_100000225621_100000082724 [0,2,0,0,0,0|2,0,0]=4 7974 B11R0.65 CCN(CC)CC(=O)N(C)CC 11a_100000225621_100000758533 [0,2,0,0,0,0|2,0,0]=4 7975 B11R0.65 CCN(CC)CC(=O)N(C)CC 1626a_100000225621_100000758533 [0,2,0,0,0,0|2,0,0]=4 7976 B11R0.65 CCN(CC)CC(=O)N(C)CC 2230a_100000724800_100000738999 [0,2,0,0,0,0|2,0,0]=4 7977 B11R0.65 CCN(CC)CC(=O)N(C)CC 240690a_100000225621_100000758533 [0,2,0,0,0,0|2,0,0]=4 7978 B11R0.65 CCN(CC)CC(=O)N(C)CC 269956a_100000042499_100000738999 [0,2,0,0,0,0|2,0,0]=4 7979 B11R0.65 CCN(CC)CC(=O)N(C)CC 269982a_100000724800_100000738999 [0,2,0,0,0,0|2,0,0]=4 7980 B11R0.65 CCN(CC)CC(=O)N(C)CC 527a_100000225621_100000758533 [0,2,0,0,0,0|2,0,0]=4 7981 B11R0.65 CC[C@@H](CO)NC(=O)N(C)CC 273464a_100000709445_100000225621 [0,2,0,0,0,0|2,0,0]=4 7982 B11R0.179 CCCC(=O)N(C)C(CC)CC 11a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 7983 B11R0.179 CCCC(=O)N(C)C(CC)CC 1626a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 7984 B11R0.179 CCCC(=O)N(C)C(CC)CC 240690a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 7985 B11R0.179 CCCC(=O)N(C)C(CC)CC 527a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 7986 B11R0.179 CCNC(=O)C(=O)C(CC)CC 1458a_200011297158_100000210505 [0,2,0,0,0,0|1,0,1]=4 7987 B11R0.179 CCNC(=O)C(C)N(CC)CC 2230a_100000724800_100000230173 [0,2,0,0,0,0|2,0,0]=4 7988 B11R0.179 CCNC(=O)C(C)N(CC)CC 269956a_100000042499_100000230173 [0,2,0,0,0,0|2,0,0]=4 7989 B11R0.179 CCNC(=O)C(C)N(CC)CC 269982a_100000724800_100000230173 [0,2,0,0,0,0|2,0,0]=4 7990 B11R0.179 CCNC(=O)N(C)C(CC)CC 2708a_100015525214_100000737045 [0,2,0,0,0,0|2,0,0]=4 7991 B11R0.179 CCNC(=O)N(C)C(CC)CC 273464a_100015525214_100000737045 [0,2,0,0,0,0|2,0,0]=4 7992 B11R0.179 CCOC(=O)C(=O)C(CC)SC 62a_200000210301_200010191611 [0,2,0,0,0,0|0,0,1]=3 7993 B11R0.179 CCOC(=O)C(=O)C(CC)SC 62a_200010191611_200000210301 [0,2,0,0,0,0|0,0,1]=3 7994 B11R0.179 CCOC(=O)C(=O)C(CC)S[13CH3] 62a_200010191611_200025704644 [0,2,0,0,0,0|0,0,1]=3 7995 B11R0.179 CCOC(=O)C(=O)C(CC)S[13CH3] 62a_200025704644_200010191611 [0,2,0,0,0,0|0,0,1]=3 7996 B11R0.179 CCOC(=O)C(=O)N(CC)CC 11a_100000724800_100014798877 [0,2,0,0,0,0|1,0,1]=4 7997 B11R0.179 CCOC(=O)C(=O)N(CC)CC 1626a_100000724800_100014798877 [0,2,0,0,0,0|1,0,1]=4 7998 B11R0.179 CCOC(=O)C(=O)N(CC)CC 240690a_100000724800_100014798877 [0,2,0,0,0,0|1,0,1]=4 7999 B11R0.179 CCOC(=O)C(C)N(CC)CC 2230a_100000724800_100011215307 [0,2,0,0,0,0|1,0,0]=3 8000 B11R0.179 CCOC(=O)C(C)N(CC)CC 269982a_100000724800_100011216346 [0,2,0,0,0,0|1,0,0]=3 8001 B11R0.179 CCOC(=O)C(F)N(CC)CC 2230a_100000724800_100000760018 [0,2,0,0,0,0|1,0,0]=3 8002 B11R0.179 CCOC(=O)C(F)N(CC)CC 269982a_100000724800_100000760018 [0,2,0,0,0,0|1,0,0]=3 8003 B11R0.53 CCCC(=O)C(CC)N(C)CC 1458a_100011345578_100000210303 [0,2,0,0,0,0|2,0,0]=4 8004 B11R0.53 CCCC(=O)N(CC)C(C)CC 11a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 8005 B11R0.53 CCCC(=O)N(CC)C(C)CC 1626a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 8006 B11R0.53 CCCC(=O)N(CC)C(C)CC 240690a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 8007 B11R0.53 CCCC(=O)N(CC)C(C)CC 527a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 8008 B11R0.53 CCNC(=O)C(CC)N(C)CC 240690a_100015525214_100011345578 [0,2,0,0,0,0|2,0,0]=4 8009 B11R0.53 CCNC(=O)C(CC)N(C)CC 527a_100015525214_100011345578 [0,2,0,0,0,0|2,0,0]=4 8010 B11R0.53 CCNC(=O)N(CC)C(C)CC 2708a_100015525214_100000732650 [0,2,0,0,0,0|2,0,0]=4 8011 B11R0.53 CCNC(=O)N(CC)C(C)CC 273464a_100015525214_100000732650 [0,2,0,0,0,0|2,0,0]=4 8012 B11R0.53 CCOC(=O)C(CC)C(=O)CC 1458a_100000210414_100000212269 [0,2,0,0,0,0|1,0,1]=4 8013 B11R0.53 CCOC(=O)C(CC)N(C)CC 2230a_100000225621_100000212269 [0,2,0,0,0,0|1,0,0]=3 8014 B11R0.53 CCOC(=O)C(CC)N(C)CC 269982a_100000225621_100000212269 [0,2,0,0,0,0|1,0,0]=3 8015 B11R0.53 CCOC(=O)C(NC)C(=O)CC 7a_106832991635_100000687759 [0,2,0,0,0,0|1,0,1]=4 8016 B11R0.53 CCOC(=O)C(SC)C(=O)CC 1458a_100000210414_100009893047 [0,2,0,0,0,0|1,0,1]=4 8017 B11R0.53 CCOC(=O)C(SC)C(=O)CC 62a_100000687759_200000210301 [0,2,0,0,0,0|1,0,1]=4 8018 B11R0.53 CCOC(=O)C(SC)C(=O)CC 62a_200000210301_100000687759 [0,2,0,0,0,0|1,0,1]=4 8019 B11R0.53 CCOC(=O)C(SC)N(C)CC 269982a_100000225621_100009893047 [0,2,0,0,0,0|1,0,0]=3 8020 B11R0.53 CCOC(=O)C(S[13CH3])C(=O)CC 62a_100000687759_200025704644 [0,2,0,0,0,0|1,0,1]=4 8021 B11R0.53 CCOC(=O)C(S[13CH3])C(=O)CC 62a_200025704644_100000687759 [0,2,0,0,0,0|1,0,1]=4 8022 B11R0.63 CCC(C)C(=O)C(=O)NC(C)C 1458a_100011220036_100000758301 [0,2,0,0,0,0|1,0,1]=4 8023 B11R0.63 CCC(C)C(C)C(C)OC(C)C 7a_200011290770_100000210206 [0,2,0,0,0,0|1,0,1]=4 8024 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 11a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 8025 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 1626a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 8026 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 240690a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 8027 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 527a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 8028 B11R0.63 CCC(C)N(C)C(=O)C[C@@H](C)O 240690a_100000741768_100011933948 [0,2,0,0,0,0|2,0,0]=4 8029 B11R0.63 CCC(C)N(C)C(=O)NC(C)C 2708a_100138425928_100000741768 [0,2,0,0,0,0|2,0,0]=4 8030 B11R0.63 CCC(C)N(C)C(=O)NC(C)C 273464a_100138425928_100000741768 [0,2,0,0,0,0|2,0,0]=4 8031 B11R0.63 CCN(C)C(C)C(=O)CC(C)C 1458a_100011281945_100000210624 [0,2,0,0,0,0|2,0,0]=4 8032 B11R0.63 CCN(C)C(C)C(=O)CC(C)O 1458a_100011281945_100011218427 [0,2,0,0,0,0|2,0,0]=4 8033 B11R0.63 CCN(C)C(C)C(=O)NC(C)C 2230a_100000225621_100000195394 [0,2,0,0,0,0|2,0,0]=4 8034 B11R0.63 CCN(C)C(C)C(=O)NC(C)C 240690a_100138425928_100011281945 [0,2,0,0,0,0|2,0,0]=4 8035 B11R0.63 CCN(C)C(C)C(=O)NC(C)C 269982a_100000225621_100000195394 [0,2,0,0,0,0|2,0,0]=4 8036 B11R0.63 CCN(C)C(C)C(=O)NC(C)C 527a_100138425928_100011281945 [0,2,0,0,0,0|2,0,0]=4 8037 B11R0.66 CCC(C)C(=O)C(C)N(C)CC 1458a_100011281945_100000758301 [0,2,0,0,0,0|2,0,0]=4 8038 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 11a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 8039 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 1626a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 8040 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 240690a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 8041 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 527a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 8042 B11R0.66 CCC(O)C(=O)N(C)C(C)CC 240690a_100000741768_100011196387 [0,2,0,0,0,0|2,0,0]=4 8043 B11R0.66 CCN(C)C(=O)C(C)N(C)CC 2230a_100000225621_200012002205 [0,2,0,0,0,0|2,0,0]=4 8044 B11R0.66 CCN(C)C(=O)C(C)N(C)CC 240690a_100000225621_100011281945 [0,2,0,0,0,0|2,0,0]=4 8045 B11R0.66 CCN(C)C(=O)C(C)N(C)CC 269982a_100000225621_200012002205 [0,2,0,0,0,0|2,0,0]=4 8046 B11R0.66 CCN(C)C(=O)C(C)N(C)CC 527a_100000225621_100011281945 [0,2,0,0,0,0|2,0,0]=4 8047 B11R0.242 CCOC(=O)C(C)(C)C(=O)CC 1458a_100000694683_100000210202 [0,2,0,0,0,0|1,0,1]=4 8048 B11R0.242 CCOC(=O)C(C)(C)C(C)OC 7a_100011668300_200000210301 [0,2,0,0,0,0|1,0,0]=3 8049 B11R0.242 CCOC(=O)C(C)(C)C(C)O[13CH3] 7a_100011668300_200025704644 [0,2,0,0,0,0|1,0,0]=3 8050 B11R0.242 CCOC(=O)C(C)(C)N(C)CC 2230a_100000225621_100011216345 [0,2,0,0,0,0|1,0,0]=3 8051 B11R0.242 CCOC(=O)C(C)(C)N(C)CC 269982a_100000225621_100048669870 [0,2,0,0,0,0|1,0,0]=3 8052 B11R0.242 CCOC(=O)C(C)(O)C(=O)CC 1458a_200009913003_100000210202 [0,2,0,0,0,0|1,0,1]=4 8053 B11R0.242 CCOC(=O)C(F)(F)N(C)CC 269982a_100000225621_100000210910 [0,2,0,0,0,0|1,0,0]=3 8054 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 8055 B11R0.92 CC(C)[C@@H](O)C(=O)C[C@@H](C)CO 1458a_100000691806_100000059175 [0,2,0,0,0,0|2,0,0]=4 8056 B11R0.92 CCC(C)CC(=O)C(=O)N(C)C 1458a_100011218876_100000748023 [0,2,0,0,0,0|2,0,0]=4 8057 B11R0.92 CCC(C)CC(=O)C(C)C(=O)C 1458a_100000708755_100000179758 [0,2,0,0,0,0|1,0,1]=4 8058 B11R0.92 CCC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000748023 [0,2,0,0,0,0|1,0,0]=3 8059 B11R0.92 CCC(C)CC(=O)N(C)C(C)C 11a_200000211004_100000708755 [0,2,0,0,0,0|1,0,0]=3 8060 B11R0.92 CCC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100000708755 [0,2,0,0,0,0|1,0,0]=3 8061 B11R0.92 CCC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100000708755 [0,2,0,0,0,0|1,0,0]=3 8062 B11R0.92 CCC(C)CC(=O)N(C)C(C)C 527a_200000211004_100000708755 [0,2,0,0,0,0|1,0,0]=3 8063 B11R0.92 CCC(C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000748023 [0,2,0,0,0,0|2,0,0]=4 8064 B11R0.92 CCC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000748023 [0,2,0,0,0,0|1,0,0]=3 8065 B11R0.92 CCC(C)NC(=O)C(=O)C(C)C 1458a_200011297154_100000210206 [0,2,0,0,0,0|2,0,0]=4 8066 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 11a_100000209981_100000755409 [0,2,0,0,0,0|2,0,0]=4 8067 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 1626a_100000209981_100000755409 [0,2,0,0,0,0|2,0,0]=4 8068 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 240690a_100000209981_100000755409 [0,2,0,0,0,0|2,0,0]=4 8069 B11R0.92 CCC(C)NC(=O)C(C)C(C)C 527a_100000209981_100000755409 [0,2,0,0,0,0|2,0,0]=4 8070 B11R0.92 CCC(C)NC(=O)N(C)C(C)C 2708a_100000209981_200000211004 [0,2,0,0,0,0|2,0,0]=4 8071 B11R0.92 CCC(C)NC(=O)N(C)C(C)C 273464a_100000209981_200000211004 [0,2,0,0,0,0|2,0,0]=4 8072 B11R0.92 CCC(C)NC(=O)[C@H](O)C(C)C 240690a_100000209981_100000691806 [0,2,0,0,0,0|2,0,0]=4 8073 B11R0.92 CCC(O)CC(=O)C(C)C(C)C 1458a_100000755409_100011218378 [0,2,0,0,0,0|2,0,0]=4 8074 B11R0.92 CCC(O)CC(=O)N(C)C(C)C 1626a_200000211004_100011667805 [0,2,0,0,0,0|2,0,0]=4 8075 B11R0.92 CCC(O)CC(=O)N(C)C(C)C 240690a_200000211004_100011667805 [0,2,0,0,0,0|2,0,0]=4 8076 B11R0.92 CCC(O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100011218378 [0,2,0,0,0,0|2,0,0]=4 8077 B11R0.92 CCN(C)CC(=O)N(C)C(C)C 2230a_100000225621_100000230190 [0,2,0,0,0,0|2,0,0]=4 8078 B11R0.92 CCN(C)CC(=O)N(C)C(C)C 240690a_200000211004_100116209913 [0,2,0,0,0,0|2,0,0]=4 8079 B11R0.92 CCN(C)CC(=O)N(C)C(C)C 269982a_100000225621_100000230190 [0,2,0,0,0,0|2,0,0]=4 8080 B11R0.92 CCN(C)CC(=O)N(C)C(C)C 527a_200000211004_100116209913 [0,2,0,0,0,0|2,0,0]=4 8081 B11R0.92 CC[C@H](C)CC(=O)C(=O)N(C)C 1458a_100011218876_100009816398 [0,2,0,0,0,0|2,0,0]=4 8082 B11R0.92 CC[C@H](C)CC(=O)C(C)C(C)C 1458a_100000755409_100009816398 [0,2,0,0,0,0|1,0,0]=3 8083 B11R0.92 CC[C@H](C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100009816398 [0,2,0,0,0,0|2,0,0]=4 8084 B11R0.92 CC[C@H](C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100009816398 [0,2,0,0,0,0|1,0,0]=3 8085 B11R0.119 CCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100000210202 [0,2,0,0,0,0|1,0,1]=4 8086 B11R0.119 CCC(=O)CC(=O)OC(C)(C)C 1458a_100000210414_100000183872 [0,2,0,0,0,0|1,0,1]=4 8087 B11R0.119 CCC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000748023 [0,2,0,0,0,0|1,0,0]=3 8088 B11R0.119 CCC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748023 [0,2,0,0,0,0|1,0,0]=3 8089 B11R0.119 CCC(C)CC(=O)CC(F)(F)F 1458a_100000245130_100000748023 [0,2,0,0,0,0|2,0,0]=4 8090 B11R0.119 CCC(C)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000748023 [0,2,0,0,0,0|2,0,0]=4 8091 B11R0.119 CCC(C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000748023 [0,2,0,0,0,0|2,0,0]=4 8092 B11R0.119 CCC(C)CC(=O)C[Si](C)(C)C 1458a_100000708755_100000233785 [0,2,0,0,0,0|1,1,0]=4 8093 B11R0.119 CCC(C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000748023 [0,2,0,0,0,0|1,1,0]=4 8094 B11R0.119 CCC(C)CC(=O)NC(C)(C)C 11a_100000715429_100000708755 [0,2,0,0,0,0|1,0,0]=3 8095 B11R0.119 CCC(C)CC(=O)NC(C)(C)C 1626a_100000715429_100000708755 [0,2,0,0,0,0|1,0,0]=3 8096 B11R0.119 CCC(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000708755 [0,2,0,0,0,0|1,0,0]=3 8097 B11R0.119 CCC(C)CC(=O)NC(C)(C)C 527a_100000715429_100000708755 [0,2,0,0,0,0|1,0,0]=3 8098 B11R0.119 CCC(C)CC(=O)NS(=O)(=O)C 2740a_100000171171_100000708755 [0,2,0,0,0,0|2,0,0]=4 8099 B11R0.119 CCC(C)NC(=O)CC(C)(C)C 11a_100000209981_100000211214 [0,2,0,0,0,0|2,0,0]=4 8100 B11R0.119 CCC(C)NC(=O)CC(C)(C)C 1626a_100000209981_100000211214 [0,2,0,0,0,0|2,0,0]=4 8101 B11R0.119 CCC(C)NC(=O)CC(C)(C)C 240690a_100000209981_100000211214 [0,2,0,0,0,0|2,0,0]=4 8102 B11R0.119 CCC(C)NC(=O)CC(C)(C)C 527a_100000209981_100000211214 [0,2,0,0,0,0|2,0,0]=4 8103 B11R0.119 CCC(C)NC(=O)CC(C)(C)O 527a_100000209981_100000693243 [0,2,0,0,0,0|2,0,0]=4 8104 B11R0.119 CCC(C)NC(=O)NC(C)(C)C 2708a_100000209981_100000715429 [0,2,0,0,0,0|2,0,0]=4 8105 B11R0.119 CCC(C)NC(=O)NC(C)(C)C 273464a_100000209981_100000715429 [0,2,0,0,0,0|2,0,0]=4 8106 B11R0.119 CCC(C)NC(=O)NC(C)(C)C 273464a_100000715429_100000209981 [0,2,0,0,0,0|2,0,0]=4 8107 B11R0.119 CCC(C)NC(=O)NC(C)(C)C 512a_100000715429_100000209981 [0,2,0,0,0,0|2,0,0]=4 8108 B11R0.119 CCC(O)CC(=O)CC(C)(C)C 1458a_100000211214_100011218378 [0,2,0,0,0,0|2,0,0]=4 8109 B11R0.119 CCC(O)CC(=O)CC(C)(C)O 1458a_100000693243_100011218378 [0,2,0,0,0,0|2,0,0]=4 8110 B11R0.119 CCC(O)CC(=O)NC(C)(C)C 1626a_100000715429_100011667805 [0,2,0,0,0,0|2,0,0]=4 8111 B11R0.119 CCC(O)CC(=O)NC(C)(C)C 240690a_100000715429_100011667805 [0,2,0,0,0,0|2,0,0]=4 8112 B11R0.119 CCN(C)CC(=O)NC(C)(C)C 2230a_100000225621_100000182746 [0,2,0,0,0,0|2,0,0]=4 8113 B11R0.119 CCN(C)CC(=O)NC(C)(C)C 240690a_100000715429_100116209913 [0,2,0,0,0,0|2,0,0]=4 8114 B11R0.119 CCN(C)CC(=O)NC(C)(C)C 269982a_100000225621_100000182746 [0,2,0,0,0,0|2,0,0]=4 8115 B11R0.119 CCN(C)CC(=O)NC(C)(C)C 527a_100000715429_100116209913 [0,2,0,0,0,0|2,0,0]=4 8116 B11R0.119 CCN(C)CC(=O)OC(C)(C)C 2230a_100000220609_200000210301 [0,2,0,0,0,0|1,0,0]=3 8117 B11R0.119 CCN(C)CC(=O)OC(C)(C)C 2230a_100000225621_100000183872 [0,2,0,0,0,0|1,0,0]=3 8118 B11R0.119 CCN(C)CC(=O)OC(C)(C)C 2230a_100000725589_100000210202 [0,2,0,0,0,0|1,0,0]=3 8119 B11R0.119 CCN(C)CC(=O)O[Si](C)(C)C 2230a_100000225621_200009813336 [0,2,0,0,0,0|1,1,0]=4 8120 B11R0.119 CCN([13CH3])CC(=O)OC(C)(C)C 2230a_100000220609_200025704644 [0,2,0,0,0,0|1,0,0]=3 8121 B11R0.119 CC[C@H](C)CC(=O)CC(C)(C)C 1458a_100000211214_100009816398 [0,2,0,0,0,0|1,0,0]=3 8122 B11R0.119 CC[C@H](C)CC(=O)CC(C)(C)O 1458a_100000693243_100009816398 [0,2,0,0,0,0|1,0,0]=3 8123 B11R0.119 CC[C@H](C)CC(=O)CC(F)(F)F 1458a_100000245130_100009816398 [0,2,0,0,0,0|2,0,0]=4 8124 B11R0.119 CC[C@H](C)CC(=O)CS(=O)(=O)C 1458a_100000744497_100009816398 [0,2,0,0,0,0|2,0,0]=4 8125 B11R0.119 CC[C@H](C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100009816398 [0,2,0,0,0,0|2,0,0]=4 8126 B11R0.119 CC[C@H](C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100009816398 [0,2,0,0,0,0|1,1,0]=4 8127 B11R0.119 CO[C@@H](C)CC(=O)OC(C)(C)C 7a_100000138086_200000210301 [0,2,0,0,0,0|1,0,0]=3 8128 B11R0.119 C[C@@H](CC(=O)OC(C)(C)C)O[13CH3] 7a_100000138086_200025704644 [0,2,0,0,0,0|1,0,0]=3 8129 B11R0.119 C[C@@H](CO)CC(=O)CC(C)(C)C 1458a_100000211214_100000059175 [0,2,0,0,0,0|2,0,0]=4 8130 B11R0.119 C[C@@H](CO)CC(=O)CC(C)(C)O 1458a_100000693243_100000059175 [0,2,0,0,0,0|2,0,0]=4 8131 B11R0.50 CCC(C)(C)C(=O)C[C@@H](C)CO 1458a_100000749717_100000059175 [0,2,0,0,0,0|2,0,0]=4 8132 B11R0.50 CCC(C)(O)C(=O)C[C@@H](C)CO 1458a_100011219770_100000059175 [0,2,0,0,0,0|2,0,0]=4 8133 B11R0.50 CCC(C)CC(=O)C(C)(C)CC 1458a_100000749717_100000748023 [0,2,0,0,0,0|1,0,0]=3 8134 B11R0.50 CCC(C)CC(=O)C(C)(C)CF 1458a_100000138116_100000748023 [0,2,0,0,0,0|2,0,0]=4 8135 B11R0.50 CCC(C)CC(=O)C(C)(C)CO 1458a_100000749806_100000748023 [0,2,0,0,0,0|2,0,0]=4 8136 B11R0.50 CCC(C)CC(=O)C(C)(C)OC 1458a_100000753492_100000748023 [0,2,0,0,0,0|2,0,0]=4 8137 B11R0.50 CCC(C)CC(=O)C(C)(O)CC 1458a_100011219770_100000748023 [0,2,0,0,0,0|1,0,0]=3 8138 B11R0.50 CCC(C)CC(=O)C(F)(F)CC 1458a_100000061896_100000748023 [0,2,0,0,0,0|1,0,0]=3 8139 B11R0.50 CCC(C)NC(=O)C(C)(C)CC 11a_100000209981_100000749717 [0,2,0,0,0,0|2,0,0]=4 8140 B11R0.50 CCC(C)NC(=O)C(C)(C)CC 1626a_100000209981_100000749717 [0,2,0,0,0,0|2,0,0]=4 8141 B11R0.50 CCC(C)NC(=O)C(C)(C)CC 240690a_100000209981_100000749717 [0,2,0,0,0,0|2,0,0]=4 8142 B11R0.50 CCC(C)NC(=O)C(C)(C)CC 527a_100000209981_100000749717 [0,2,0,0,0,0|2,0,0]=4 8143 B11R0.50 CCC(C)NC(=O)C(C)(O)CC 240690a_100000209981_100011219770 [0,2,0,0,0,0|2,0,0]=4 8144 B11R0.50 CCC(C)NC(=O)C(F)(F)CC 11a_100000209981_100000061896 [0,2,0,0,0,0|2,0,0]=4 8145 B11R0.50 CCC(C)NC(=O)C(F)(F)CC 1626a_100000209981_100000061896 [0,2,0,0,0,0|2,0,0]=4 8146 B11R0.50 CCC(C)NC(=O)C(F)(F)CC 240690a_100000209981_100000061896 [0,2,0,0,0,0|2,0,0]=4 8147 B11R0.50 CCC(C)NC(=O)C(F)(F)CC 527a_100000209981_100000061896 [0,2,0,0,0,0|2,0,0]=4 8148 B11R0.50 CCC(F)(F)C(=O)C[C@@H](C)CO 1458a_100000061896_100000059175 [0,2,0,0,0,0|2,0,0]=4 8149 B11R0.50 CCC(O)CC(=O)C(C)(C)CC 1458a_100000749717_100011218378 [0,2,0,0,0,0|2,0,0]=4 8150 B11R0.50 CCC(O)CC(=O)C(C)(O)CC 1458a_100011219770_100011218378 [0,2,0,0,0,0|2,0,0]=4 8151 B11R0.50 CCC(O)CC(=O)C(F)(F)CC 1458a_100000061896_100011218378 [0,2,0,0,0,0|2,0,0]=4 8152 B11R0.50 CC[C@H](C)CC(=O)C(C)(C)CC 1458a_100000749717_100009816398 [0,2,0,0,0,0|1,0,0]=3 8153 B11R0.50 CC[C@H](C)CC(=O)C(C)(C)CF 1458a_100000138116_100009816398 [0,2,0,0,0,0|2,0,0]=4 8154 B11R0.50 CC[C@H](C)CC(=O)C(C)(C)CO 1458a_100000749806_100009816398 [0,2,0,0,0,0|2,0,0]=4 8155 B11R0.50 CC[C@H](C)CC(=O)C(C)(C)OC 1458a_100000753492_100009816398 [0,2,0,0,0,0|2,0,0]=4 8156 B11R0.50 CC[C@H](C)CC(=O)C(C)(O)CC 1458a_100011219770_100009816398 [0,2,0,0,0,0|1,0,0]=3 8157 B11R0.50 CC[C@H](C)CC(=O)C(F)(F)CC 1458a_100000061896_100009816398 [0,2,0,0,0,0|1,0,0]=3 8158 B11R0.113 CCC(C)CC(=O)C(CC)CC 1458a_100000211163_100000748023 [0,2,0,0,0,0|1,0,0]=3 8159 B11R0.113 CCC(C)CC(=O)C(CC)CC 1458a_100000708755_100000210505 [0,2,0,0,0,0|1,0,0]=3 8160 B11R0.113 CCC(C)CC(=O)C(CC)OC 1458a_100000747056_100000748023 [0,2,0,0,0,0|1,0,0]=3 8161 B11R0.113 CCC(C)CC(=O)C(OC)OC 1458a_100000046285_100000748023 [0,2,0,0,0,0|2,0,0]=4 8162 B11R0.113 CCC(C)CC(=O)N(CC)CC 11a_100000724800_100000708755 [0,2,0,0,0,0|1,0,0]=3 8163 B11R0.113 CCC(C)CC(=O)N(CC)CC 1626a_100000724800_100000708755 [0,2,0,0,0,0|1,0,0]=3 8164 B11R0.113 CCC(C)CC(=O)N(CC)CC 240690a_100000724800_100000708755 [0,2,0,0,0,0|1,0,0]=3 8165 B11R0.113 CCC(C)CC(=O)N(CC)CC 527a_100000724800_100000708755 [0,2,0,0,0,0|1,0,0]=3 8166 B11R0.113 CCC(C)NC(=O)C(CC)CC 11a_100000209981_100000211163 [0,2,0,0,0,0|2,0,0]=4 8167 B11R0.113 CCC(C)NC(=O)C(CC)CC 1626a_100000209981_100000211163 [0,2,0,0,0,0|2,0,0]=4 8168 B11R0.113 CCC(C)NC(=O)C(CC)CC 240690a_100000209981_100000211163 [0,2,0,0,0,0|2,0,0]=4 8169 B11R0.113 CCC(C)NC(=O)C(CC)CC 527a_100000209981_100000211163 [0,2,0,0,0,0|2,0,0]=4 8170 B11R0.113 CCC(C)NC(=O)C(CC)OC 11a_100000209981_100000747056 [0,2,0,0,0,0|2,0,0]=4 8171 B11R0.113 CCC(C)NC(=O)C(CC)OC 1626a_100000209981_100000747056 [0,2,0,0,0,0|2,0,0]=4 8172 B11R0.113 CCC(C)NC(=O)C(CC)OC 240690a_100000209981_100000747056 [0,2,0,0,0,0|2,0,0]=4 8173 B11R0.113 CCC(C)NC(=O)C(CC)OC 527a_100000209981_100000747056 [0,2,0,0,0,0|2,0,0]=4 8174 B11R0.113 CCC(C)NC(=O)N(CC)CC 2708a_100000209981_100000724800 [0,2,0,0,0,0|2,0,0]=4 8175 B11R0.113 CCC(C)NC(=O)N(CC)CC 273464a_100000209981_100000724800 [0,2,0,0,0,0|2,0,0]=4 8176 B11R0.113 CCC(CC)C(=O)CN(C)CC 1458a_100116209913_100000210505 [0,2,0,0,0,0|2,0,0]=4 8177 B11R0.113 CCC(CC)C(=O)C[C@@H](C)CC 1458a_100000211163_100009816398 [0,2,0,0,0,0|1,0,0]=3 8178 B11R0.113 CCC(CC)C(=O)C[C@@H](C)CO 1458a_100000211163_100000059175 [0,2,0,0,0,0|2,0,0]=4 8179 B11R0.113 CCC(O)CC(=O)C(CC)CC 1458a_100000211163_100011218378 [0,2,0,0,0,0|2,0,0]=4 8180 B11R0.113 CCC(O)CC(=O)C(CC)CC 1458a_100011667805_100000210505 [0,2,0,0,0,0|2,0,0]=4 8181 B11R0.113 CCC(O)CC(=O)C(CC)OC 1458a_100000747056_100011218378 [0,2,0,0,0,0|2,0,0]=4 8182 B11R0.113 CCC(O)CC(=O)N(CC)CC 1626a_100000724800_100011667805 [0,2,0,0,0,0|2,0,0]=4 8183 B11R0.113 CCC(O)CC(=O)N(CC)CC 240690a_100000724800_100011667805 [0,2,0,0,0,0|2,0,0]=4 8184 B11R0.113 CCC(OC)C(=O)C[C@@H](C)CC 1458a_100000747056_100009816398 [0,2,0,0,0,0|1,0,0]=3 8185 B11R0.113 CCC(OC)C(=O)C[C@@H](C)CO 1458a_100000747056_100000059175 [0,2,0,0,0,0|2,0,0]=4 8186 B11R0.113 CCN(C)CC(=O)N(CC)CC 2230a_100000181456_100000210202 [0,2,0,0,0,0|2,0,0]=4 8187 B11R0.113 CCN(C)CC(=O)N(CC)CC 2230a_100000225621_100000211521 [0,2,0,0,0,0|2,0,0]=4 8188 B11R0.113 CCN(C)CC(=O)N(CC)CC 240690a_100000724800_100116209913 [0,2,0,0,0,0|2,0,0]=4 8189 B11R0.113 CCN(C)CC(=O)N(CC)CC 269982a_100000181456_100000204670 [0,2,0,0,0,0|2,0,0]=4 8190 B11R0.113 CCN(C)CC(=O)N(CC)CC 269982a_100000225621_100000211521 [0,2,0,0,0,0|2,0,0]=4 8191 B11R0.113 CCN(C)CC(=O)N(CC)CC 527a_100000724800_100116209913 [0,2,0,0,0,0|2,0,0]=4 8192 B11R0.113 CC[C@H](C)CC(=O)C(OC)OC 1458a_100000046285_100009816398 [0,2,0,0,0,0|2,0,0]=4 8193 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [1,0,0,1,0,0|2,0,0]=4 8194 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [1,0,0,1,0,0|1,0,0]=3 8195 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 8196 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 8197 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,0,0,1,0,0|2,0,0]=4 8198 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [1,0,0,1,0,0|2,0,0]=4 8199 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 8200 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 8201 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,0,0,1,0,0|2,0,0]=4 8202 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [1,0,0,1,0,0|2,0,0]=4 8203 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [1,0,0,1,0,0|1,0,1]=4 8204 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 8205 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|1,0,1]=4 8206 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 8207 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|0,0,2]=4 8208 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|2,0,0]=4 8209 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|2,0,0]=4 8210 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|2,0,0]=4 8211 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|2,0,0]=4 8212 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|2,0,0]=4 8213 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|2,0,0]=4 8214 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|2,0,0]=4 8215 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|2,0,0]=4 8216 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|2,0,0]=4 8217 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|2,0,0]=4 8218 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 8219 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 8220 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,0]=3 8221 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|2,0,0]=4 8222 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|2,0,0]=4 8223 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|1,0,0]=3 8224 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,1,0,0|2,0,0]=4 8225 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|2,0,0]=4 8226 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|2,0,0]=4 8227 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|1,0,0]=3 8228 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|1,0,0]=3 8229 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [1,0,0,1,0,0|2,0,0]=4 8230 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [1,0,0,1,0,0|2,0,0]=4 8231 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [1,0,0,1,0,0|2,0,0]=4 8232 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [1,0,0,1,0,0|2,0,0]=4 8233 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 8234 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 8235 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 8236 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 8237 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [1,0,0,1,0,0|1,0,1]=4 8238 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [1,0,0,1,0,0|1,0,1]=4 8239 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|1,0,0]=3 8240 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|1,0,0]=3 8241 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [1,0,0,1,0,0|2,0,0]=4 8242 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [1,0,0,1,0,0|2,0,0]=4 8243 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [1,0,0,1,0,0|2,0,0]=4 8244 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 8245 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 8246 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 8247 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 8248 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 8249 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 8250 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 8251 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 8252 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 8253 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 8254 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 8255 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 8256 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 8257 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 8258 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 8259 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 8260 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 8261 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [1,0,0,1,0,0|2,0,0]=4 8262 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 8263 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [1,0,0,1,0,0|2,0,0]=4 8264 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [1,0,0,1,0,0|2,0,0]=4 8265 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [1,0,0,1,0,0|2,0,0]=4 8266 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [1,0,0,1,0,0|2,0,0]=4 8267 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [1,0,0,1,0,0|2,0,0]=4 8268 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [1,0,0,1,0,0|2,0,0]=4 8269 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [1,0,0,1,0,0|2,0,0]=4 8270 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [1,0,0,1,0,0|2,0,0]=4 8271 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [1,0,0,1,0,0|2,0,0]=4 8272 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [1,0,0,1,0,0|2,0,0]=4 8273 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [1,0,0,1,0,0|2,0,0]=4 8274 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [1,0,0,1,0,0|1,0,1]=4 8275 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [1,0,0,1,0,0|1,0,1]=4 8276 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|1,0,0]=3 8277 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|1,0,0]=3 8278 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [1,0,0,1,0,0|2,0,0]=4 8279 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [1,0,0,1,0,0|2,0,0]=4 8280 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [1,0,0,1,0,0|2,0,0]=4 8281 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [1,0,0,1,0,0|2,0,0]=4 8282 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [1,0,0,1,0,0|2,0,0]=4 8283 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [1,0,0,1,0,0|2,0,0]=4 8284 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 8285 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 8286 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 8287 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 8288 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 8289 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 8290 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 8291 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 8292 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [1,0,0,1,0,0|2,0,0]=4 8293 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [1,0,0,1,0,0|2,0,0]=4 8294 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [1,0,0,1,0,0|2,0,0]=4 8295 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [1,0,0,1,0,0|2,0,0]=4 8296 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [1,0,0,1,0,0|2,0,0]=4 8297 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [1,0,0,1,0,0|2,0,0]=4 8298 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [1,0,0,1,0,0|1,0,0]=3 8299 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [1,0,0,1,0,0|2,0,0]=4 8300 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 8301 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 8302 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 8303 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 8304 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [1,0,0,1,0,0|2,0,0]=4 8305 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [1,0,0,1,0,0|2,0,0]=4 8306 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [1,0,0,1,0,0|2,0,0]=4 8307 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [1,0,0,1,0,0|2,0,0]=4 8308 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [1,0,0,1,0,0|2,0,0]=4 8309 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [1,0,0,1,0,0|2,0,0]=4 8310 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [1,0,0,1,0,0|2,0,0]=4 8311 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [1,0,0,1,0,0|2,0,0]=4 8312 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [1,0,0,1,0,0|2,0,0]=4 8313 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [1,0,0,1,0,0|1,0,1]=4 8314 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [1,0,0,1,0,0|1,0,1]=4 8315 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [1,0,0,1,0,0|2,0,0]=4 8316 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [1,0,0,1,0,0|2,0,0]=4 8317 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|1,0,0]=3 8318 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [1,0,0,1,0,0|2,0,0]=4 8319 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 8320 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 8321 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 8322 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 8323 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 8324 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [1,0,0,1,0,0|2,0,0]=4 8325 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [1,0,0,1,0,0|1,0,1]=4 8326 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [1,0,0,1,0,0|2,0,0]=4 8327 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [1,0,0,1,0,0|2,0,0]=4 8328 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [1,0,0,1,0,0|1,0,0]=3 8329 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [1,0,0,1,0,0|1,0,0]=3 8330 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [1,0,0,1,0,0|1,0,0]=3 8331 B9R1.137 CC(C)CC(=O)C1CO1 1458a_100000701028_100000210624 [1,0,0,1,0,0|2,0,0]=4 8332 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [1,0,0,1,0,0|2,0,0]=4 8333 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [1,0,0,1,0,0|2,0,0]=4 8334 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [1,0,0,1,0,0|2,0,0]=4 8335 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [1,0,0,1,0,0|2,0,0]=4 8336 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [1,0,0,1,0,0|2,0,0]=4 8337 B9R1.137 CN(C)CC(=O)C1CC1 2230a_100102631434_100000746382 [1,0,0,1,0,0|2,0,0]=4 8338 B9R1.137 CN(C)CC(=O)C1CC1 269982a_100102631434_100000746382 [1,0,0,1,0,0|2,0,0]=4 8339 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [1,0,0,1,0,0|1,0,1]=4 8340 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [1,0,0,1,0,0|1,0,1]=4 8341 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [1,0,0,1,0,0|1,0,1]=4 8342 B9R1.11 CCN(C)C1CCOC1 2230a_100000225621_100000731011 [1,0,0,1,0,0|1,0,1]=4 8343 B9R1.11 CCN(C)C1CCOC1 2230a_100016988252_100000210202 [1,0,0,1,0,0|1,0,1]=4 8344 B9R1.11 CCN(C)C1CCOC1 269982a_100000225621_100000731011 [1,0,0,1,0,0|1,0,1]=4 8345 B9R1.11 CCN(C)C1CCOC1 269982a_100016988252_100000204670 [1,0,0,1,0,0|1,0,1]=4 8346 B9R1.11 CCN(C)C1CCOC1 34a_100016988252_100000210202 [1,0,0,1,0,0|1,0,1]=4 8347 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|2,0,0]=4 8348 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|2,0,0]=4 8349 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [1,0,0,1,0,0|2,0,0]=4 8350 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,1,0,0|2,0,0]=4 8351 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,1,0,0|2,0,0]=4 8352 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,1,0,0|2,0,0]=4 8353 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|2,0,0]=4 8354 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|2,0,0]=4 8355 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,1,0,0|2,0,0]=4 8356 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,1,0,0|2,0,0]=4 8357 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [1,0,0,1,0,0|1,0,1]=4 8358 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [1,0,0,1,0,0|1,0,1]=4 8359 B9R1.17 CCOCSC1CCC1 62a_100000739092_100000749161 [1,0,0,1,0,0|1,0,1]=4 8360 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [1,0,0,1,0,0|1,0,1]=4 8361 B9R1.79 CCC(C)CN1CCC1 269982a_100000754969_100000748023 [1,0,0,1,0,0|2,0,0]=4 8362 B9R1.79 CCN(C)CC1CCO1 2230a_100000225621_100000103362 [1,0,0,1,0,0|1,0,1]=4 8363 B9R1.79 CCN(C)CC1CCO1 269982a_100000225621_100000103362 [1,0,0,1,0,0|1,0,1]=4 8364 B9R1.79 CC[C@H](C)CN1CCC1 269982a_100000754969_100009816398 [1,0,0,1,0,0|2,0,0]=4 8365 B9R1.80 CCC(C)CNC1CC1 34a_100000212008_100000748023 [1,0,0,1,0,0|2,0,0]=4 8366 B9R1.80 CCC(C)CSC1CC1 62a_100000748023_100000211595 [1,0,0,1,0,0|2,0,0]=4 8367 B9R1.80 CC[C@H](C)CNC1CC1 34a_100000212008_100009816398 [1,0,0,1,0,0|2,0,0]=4 8368 B9R1.80 CC[C@H](C)CSC1CC1 62a_100009816398_100000211595 [1,0,0,1,0,0|2,0,0]=4 8369 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [1,0,0,1,0,0|1,0,1]=4 8370 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [1,0,0,1,0,0|1,0,1]=4 8371 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [1,0,0,1,0,0|1,0,1]=4 8372 B9R1.99 CCCNCC1(CC1)C 2230a_100000766693_100000210303 [1,0,0,1,0,0|2,0,0]=4 8373 B9R1.99 CCCOCC1(CC1)C 7a_100000698024_100000210303 [1,0,0,1,0,0|2,0,0]=4 8374 B9R1.118 CC1(CCOCC1)N[13CH3] 2230a_100000692449_200025704644 [1,0,0,1,0,0|1,0,1]=4 8375 B9R1.118 CC1(CCOCC1)N[13CH3] 34a_100000692449_200025704644 [1,0,0,1,0,0|1,0,1]=4 8376 B9R1.118 CC1(CCOCC1)O[13CH3] 34a_100011827762_200025704644 [1,0,0,1,0,0|1,0,1]=4 8377 B9R1.118 CC1(CCOCC1)O[13CH3] 7a_100011827762_200025704644 [1,0,0,1,0,0|1,0,1]=4 8378 B9R1.118 CNC1(CCOCC1)C 2230a_100000692449_200000210301 [1,0,0,1,0,0|1,0,1]=4 8379 B9R1.118 CNC1(CCOCC1)C 34a_100000692449_200000210301 [1,0,0,1,0,0|1,0,1]=4 8380 B9R1.118 COC1(CCOCC1)C 34a_100011827762_200000210301 [1,0,0,1,0,0|1,0,1]=4 8381 B9R1.118 COC1(CCOCC1)C 7a_100011827762_200000210301 [1,0,0,1,0,0|1,0,1]=4 8382 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [1,0,0,1,0,0|2,0,0]=4 8383 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [1,0,0,1,0,0|2,0,0]=4 8384 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [1,0,0,1,0,0|2,0,0]=4 8385 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [1,0,0,1,0,0|2,0,0]=4 8386 B9R1.113 CC1(CC1)CC(=O)CF 1458a_100000112800_100015361967 [1,0,0,1,0,0|1,0,0]=3 8387 B9R1.113 CC1(CC1)NC(=O)CO 240690a_100000757604_100000210174 [1,0,0,1,0,0|2,0,0]=4 8388 B9R1.113 CC1(CC1)NC(=O)CO 527a_100000757604_100000210174 [1,0,0,1,0,0|2,0,0]=4 8389 B9R1.113 CC1(CO1)CC(=O)CO 1458a_100000210174_100000760498 [1,0,0,1,0,0|2,0,0]=4 8390 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [1,0,0,1,0,0|0,0,0]=2 8391 B9R1.113 CCC(=O)CC1(CO1)C 1458a_100000210414_100000760498 [1,0,0,1,0,0|1,0,0]=3 8392 B9R1.113 CCC(=O)NC1(CC1)C 11a_100000757604_100000210414 [1,0,0,1,0,0|1,0,0]=3 8393 B9R1.113 CCC(=O)NC1(CC1)C 1626a_100000757604_100000210414 [1,0,0,1,0,0|1,0,0]=3 8394 B9R1.113 CCC(=O)NC1(CC1)C 240690a_100000757604_100000210414 [1,0,0,1,0,0|1,0,0]=3 8395 B9R1.113 CCC(=O)NC1(CC1)C 527a_100000757604_100000210414 [1,0,0,1,0,0|1,0,0]=3 8396 B9R1.113 CNC(=O)CC1(CC1)C 11a_106832991635_100000112800 [1,0,0,1,0,0|1,0,0]=3 8397 B9R1.113 CNC(=O)CC1(CC1)C 1626a_100102657272_100000112800 [1,0,0,1,0,0|1,0,0]=3 8398 B9R1.113 CNC(=O)CC1(CC1)C 240690a_100102657272_100000112800 [1,0,0,1,0,0|1,0,0]=3 8399 B9R1.113 CNC(=O)CC1(CC1)C 527a_100102657272_100000112800 [1,0,0,1,0,0|1,0,0]=3 8400 B9R1.113 CNC(=O)NC1(CC1)C 2708a_100102657272_100000757604 [1,0,0,1,0,0|2,0,0]=4 8401 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100000757604_100102657272 [1,0,0,1,0,0|2,0,0]=4 8402 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100102657272_100000757604 [1,0,0,1,0,0|2,0,0]=4 8403 B9R1.113 CNC(=O)NC1(CC1)C 512a_100000757604_100102657272 [1,0,0,1,0,0|2,0,0]=4 8404 B9R1.74 CC1(CC1)C(=O)CCF 1458a_100000756474_100011217306 [0,0,0,1,1,0|2,0,0]=4 8405 B9R1.74 CC1(CC1)C(=O)CCO 1458a_100000756474_100000211926 [0,0,0,1,1,0|2,0,0]=4 8406 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [0,0,0,1,1,0|1,0,0]=3 8407 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [0,0,0,1,1,0|2,0,0]=4 8408 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [0,0,0,1,1,0|2,0,0]=4 8409 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [0,0,0,1,1,0|1,0,0]=3 8410 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [0,0,0,1,1,0|1,0,0]=3 8411 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [0,0,0,1,1,0|1,0,0]=3 8412 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [0,0,0,1,1,0|2,0,0]=4 8413 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [0,0,0,1,1,0|2,0,0]=4 8414 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [0,0,0,1,1,0|2,0,0]=4 8415 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [0,0,0,1,1,0|2,0,0]=4 8416 B9R1.74 CNNC(=O)C1(CC1)C 22a_100016993582_100000756474 [0,0,0,1,1,0|2,0,0]=4 8417 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [0,0,0,1,1,0|1,0,0]=3 8418 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,0,0,1,1,0|2,0,0]=4 8419 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [0,0,0,1,1,0|2,0,0]=4 8420 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [0,0,0,1,1,0|2,0,0]=4 8421 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [0,0,0,1,1,0|2,0,0]=4 8422 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [0,0,0,1,1,0|2,0,0]=4 8423 B11R1.15 CC=CC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210699 [0,0,0,1,0,1|1,0,1]=4 8424 B11R1.15 CC=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210699 [0,0,0,1,0,1|1,0,1]=4 8425 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,0,0,1,0,1|2,0,0]=4 8426 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [0,0,0,1,0,1|2,0,0]=4 8427 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,0,0,1,0,1|2,0,0]=4 8428 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,0,0,1,0,1|2,0,0]=4 8429 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211992 [0,0,0,1,0,1|2,0,0]=4 8430 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211992 [0,0,0,1,0,1|2,0,0]=4 8431 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211992 [0,0,0,1,0,1|2,0,0]=4 8432 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211992 [0,0,0,1,0,1|2,0,0]=4 8433 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [0,0,0,1,0,1|1,0,0]=3 8434 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [0,0,0,1,0,1|1,0,0]=3 8435 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [0,0,0,1,0,1|1,0,0]=3 8436 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,0,0,1,0,1|2,0,0]=4 8437 B11R1.15 CCNC(=O)C1CCN(C1)C 240690a_100015525214_100000739633 [0,0,0,1,0,1|2,0,0]=4 8438 B11R1.15 CCNC(=O)C1CCN(C1)C 527a_100015525214_100000739633 [0,0,0,1,0,1|2,0,0]=4 8439 B11R1.15 CCNC(=O)N1CCC(C1)O 2708a_100015525214_100011215560 [0,0,0,1,0,1|2,0,0]=4 8440 B11R1.15 CCNC(=O)N1CCC(C1)O 273464a_100015525214_100011215560 [0,0,0,1,0,1|2,0,0]=4 8441 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 2708a_100015525214_100015203821 [0,0,0,1,0,1|2,0,0]=4 8442 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 273464a_100015525214_100015203821 [0,0,0,1,0,1|2,0,0]=4 8443 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 2708a_100015525214_100016987628 [0,0,0,1,0,1|1,0,0]=3 8444 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 273464a_100015525214_100016987628 [0,0,0,1,0,1|1,0,0]=3 8445 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,0,0,1,0,1|1,0,0]=3 8446 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,0,0,1,0,1|1,0,0]=3 8447 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,0,0,1,0,1|1,0,0]=3 8448 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,0,0,1,0,1|1,0,0]=3 8449 B11R1.15 COCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210968 [0,0,0,1,0,1|2,0,0]=4 8450 B11R1.15 COCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210968 [0,0,0,1,0,1|2,0,0]=4 8451 B11R1.15 COCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210968 [0,0,0,1,0,1|2,0,0]=4 8452 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000184570 [0,0,0,1,0,1|2,0,0]=4 8453 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000184570 [0,0,0,1,0,1|2,0,0]=4 8454 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000184570 [0,0,0,1,0,1|2,0,0]=4 8455 B11R1.15 C[C@@H]1CCN(C1)C(=O)CCO 240690a_100016987628_100011216618 [0,0,0,1,0,1|2,0,0]=4 8456 B11R1.23 CC(C#N)N1CCOC(=O)C1 2230a_100000131268_100000184139 [0,0,0,1,0,1|1,0,1]=4 8457 B11R1.23 CC(CO)N1CCNC(=O)C1 2230a_100000184651_100012180447 [0,0,0,1,0,1|2,0,0]=4 8458 B11R1.23 CC(CO)N1CCOC(=O)C1 2230a_100000131268_100012180447 [0,0,0,1,0,1|1,0,0]=3 8459 B11R1.23 CCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210414 [0,0,0,1,0,1|1,0,1]=4 8460 B11R1.23 CCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210414 [0,0,0,1,0,1|1,0,1]=4 8461 B11R1.23 CCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210414 [0,0,0,1,0,1|1,0,1]=4 8462 B11R1.23 CCC(C)N1CCC=C(C1)C 2230a_100000725631_100000758301 [0,0,0,1,0,1|2,0,0]=4 8463 B11R1.23 CCC(C)N1CCC=C(C1)C 269982a_100000725631_100000758301 [0,0,0,1,0,1|2,0,0]=4 8464 B11R1.23 CCC(C)N1CCC=C(C1)C 34a_100000725631_100011215416 [0,0,0,1,0,1|2,0,0]=4 8465 B11R1.23 CCC(C)N1CCNC(=O)C1 2230a_100000184651_100000758301 [0,0,0,1,0,1|1,0,0]=3 8466 B11R1.23 CCC(C)N1CCOC(=O)C1 2230a_100000131268_100000758301 [0,0,0,1,0,1|0,0,0]=2 8467 B11R1.23 CCC(C)N1CCOC(C1)C 2230a_100000729577_100000758301 [0,0,0,1,0,1|1,0,1]=4 8468 B11R1.23 CCC(C)N1CCOC(C1)C 269982a_100000729577_100000758301 [0,0,0,1,0,1|1,0,1]=4 8469 B11R1.23 CCC(C)N1CCOC(C1)C 34a_100000729577_100011215416 [0,0,0,1,0,1|1,0,1]=4 8470 B11R1.23 CCC(C)N1CCOC(C1)O 2230a_100000688207_100000758301 [0,0,0,1,0,1|0,0,2]=4 8471 B11R1.23 CCC(C)N1CCOC(C1)O 269982a_100000688207_100000758301 [0,0,0,1,0,1|0,0,2]=4 8472 B11R1.25 CCC(C)COC1CCCO1 34a_100000085407_100000748023 [0,0,0,1,0,1|1,0,1]=4 8473 B11R1.25 CCC(C)NCC1CCCO1 2230a_100000209981_100000203698 [0,0,0,1,0,1|1,0,1]=4 8474 B11R1.25 CCC(C)NCC1OCCO1 2230a_100000036311_100000758301 [0,0,0,1,0,1|0,0,2]=4 8475 B11R1.25 CCC(C)NCC1OCCO1 2230a_100000209981_100000755774 [0,0,0,1,0,1|0,0,2]=4 8476 B11R1.25 CCC(C)NCC1OCCO1 34a_100000036311_100011215416 [0,0,0,1,0,1|0,0,2]=4 8477 B11R1.25 CCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000758301 [0,0,0,1,0,1|1,0,1]=4 8478 B11R1.25 CCC(C)NC[C@@H]1CCCO1 34a_100020590478_100011215416 [0,0,0,1,0,1|1,0,1]=4 8479 B11R1.25 CCC(C)OCC1=NCCN1 7a_100000210228_100000737910 [0,0,0,1,0,1|2,0,0]=4 8480 B11R1.25 CCC(C)OCC1CCCO1 34a_100000210270_100011215416 [0,0,0,1,0,1|1,0,1]=4 8481 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210228_100000203698 [0,0,0,1,0,1|1,0,1]=4 8482 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210270_100000758301 [0,0,0,1,0,1|1,0,1]=4 8483 B11R1.25 CCC(C)OCC1OCCO1 34a_100000087154_100011215416 [0,0,0,1,0,1|0,0,2]=4 8484 B11R1.25 CCC(C)OCC1OCCO1 7a_100000210228_100000755774 [0,0,0,1,0,1|0,0,2]=4 8485 B11R1.25 CCC(C)SCC1=NCCN1 62a_100000737910_100000758301 [0,0,0,1,0,1|2,0,0]=4 8486 B11R1.25 CCC(C)SCC1=NCCN1 62a_100000758301_100000737910 [0,0,0,1,0,1|2,0,0]=4 8487 B11R1.25 CCC(C)SCC1CCCO1 62a_100000203698_100000758301 [0,0,0,1,0,1|1,0,1]=4 8488 B11R1.25 CCC(C)SCC1CCCO1 62a_100000758301_100000203698 [0,0,0,1,0,1|1,0,1]=4 8489 B11R1.25 CCC(C)SCC1OCCO1 62a_100000755774_100000758301 [0,0,0,1,0,1|0,0,2]=4 8490 B11R1.25 CCC(C)SCC1OCCO1 62a_100000758301_100000755774 [0,0,0,1,0,1|0,0,2]=4 8491 B11R1.25 CC[C@H](C)COC1CCCO1 34a_100000085407_100009816398 [0,0,0,1,0,1|1,0,1]=4 8492 B11R1.83 CCOC1CCC(CC1)CC 34a_100011215326_100000210202 [0,0,0,1,0,1|1,0,1]=4 8493 B11R1.83 CCOC1CCC(CC1)CC 7a_100011215326_100000210202 [0,0,0,1,0,1|1,0,1]=4 8494 B11R1.121 CCOC1CN(C1)C(C)CC 269982a_100000732654_100000758301 [0,0,0,1,0,1|1,0,1]=4 8495 B11R1.121 CCOC1CN(C1)C(C)CC 34a_100000732654_100011215416 [0,0,0,1,0,1|1,0,1]=4 8496 B11R1.192 CCOC1CCC(C(C1)C)C 34a_100011215933_100000210202 [0,0,0,1,0,1|1,0,1]=4 8497 B11R1.192 CCOC1CCC(C(C1)C)C 7a_100011215933_100000210202 [0,0,0,1,0,1|1,0,1]=4 8498 B11R1.228 C#CC(C)NC1CCOC1=O 2230a_100000707721_100000211211 [0,0,0,1,0,1|0,0,2]=4 8499 B11R1.228 C#CC(C)NC1CCOC1=O 34a_100000707721_100000211211 [0,0,0,1,0,1|0,0,2]=4 8500 B11R1.228 C#CC(C)SC1CCOC1=O 62a_200000035995_100000211211 [0,0,0,1,0,1|0,0,2]=4 8501 B11R1.228 C#C[C@@H](C)OC1CCOC1=O 34a_100009815206_100000211211 [0,0,0,1,0,1|0,0,2]=4 8502 B11R1.228 C#C[C@@H](C)OC1CCOC1=O 7a_100009815206_100000211211 [0,0,0,1,0,1|0,0,2]=4 8503 B11R1.228 C=CC(C)OC1CCOC1=O 34a_100000695699_100000211211 [0,0,0,1,0,1|0,0,2]=4 8504 B11R1.228 C=CC(C)SC1CCOC1=O 62a_100011215867_100000211211 [0,0,0,1,0,1|0,0,2]=4 8505 B11R1.228 CC(C#N)NC1CCOC1=O 2230a_100000737613_100000211211 [0,0,0,1,0,1|1,0,1]=4 8506 B11R1.228 CC(C#N)OC1CCOC1=O 34a_100011218135_100000211211 [0,0,0,1,0,1|1,0,1]=4 8507 B11R1.228 CC(C#N)SC1CCOC1=O 62a_100000211211_100000703298 [0,0,0,1,0,1|1,0,1]=4 8508 B11R1.228 CC(C#N)SC1CCOC1=O 62a_100000703298_100000211211 [0,0,0,1,0,1|1,0,1]=4 8509 B11R1.228 CC(CF)OC1CCCC1=O 34a_100016041109_100000709159 [0,0,0,1,0,1|2,0,0]=4 8510 B11R1.228 CC(CF)OC1CCCC1=O 7a_100016041109_100000211823 [0,0,0,1,0,1|2,0,0]=4 8511 B11R1.228 CC(CF)OC1CCOC1=O 34a_100016041109_100000211211 [0,0,0,1,0,1|1,0,0]=3 8512 B11R1.228 CC(CF)OC1CCOC1=O 7a_100016041109_100000211211 [0,0,0,1,0,1|1,0,0]=3 8513 B11R1.228 CC(CN)OC1CCCC1=O 34a_100000210904_100000709159 [0,0,0,1,0,1|2,0,0]=4 8514 B11R1.228 CC(CN)OC1CCOC1=O 34a_100000210904_100000211211 [0,0,0,1,0,1|1,0,0]=3 8515 B11R1.228 CC(CO)NC1CCNC1=O 2230a_100016995588_100012180447 [0,0,0,1,0,1|2,0,0]=4 8516 B11R1.228 CC(CO)NC1CCNC1=O 34a_100016995588_100012180447 [0,0,0,1,0,1|2,0,0]=4 8517 B11R1.228 CC(CO)OC1CCCC1=O 34a_200000719330_100012180447 [0,0,0,1,0,1|2,0,0]=4 8518 B11R1.228 CC(CO)O[C@H]1CCNC1=O 34a_100000688343_100012180447 [0,0,0,1,0,1|2,0,0]=4 8519 B11R1.228 CC(CO)SC1CCCC1=O 62a_100012180447_100000211823 [0,0,0,1,0,1|2,0,0]=4 8520 B11R1.228 CC(CO)SC1CCOC1=O 62a_100012180447_100000211211 [0,0,0,1,0,1|1,0,0]=3 8521 B11R1.228 CCC(=O)CN1CCOC1=O 1458a_100011227918_100000210202 [0,0,0,1,0,1|1,0,1]=4 8522 B11R1.228 CCC(C)NC1CCCC1=O 2230a_100000209981_100000211823 [0,0,0,1,0,1|1,0,0]=3 8523 B11R1.228 CCC(C)NC1CCNC1=O 2230a_100016995588_100000758301 [0,0,0,1,0,1|1,0,0]=3 8524 B11R1.228 CCC(C)NC1CCNC1=O 34a_100016995588_100011215416 [0,0,0,1,0,1|1,0,0]=3 8525 B11R1.228 CCC(C)NC1CCOC1=O 2230a_100000209981_100000211211 [0,0,0,1,0,1|0,0,0]=2 8526 B11R1.228 CCC(C)NC1CCOC1C 270004a_100000209981_100000691750 [0,0,0,1,0,1|1,0,1]=4 8527 B11R1.228 CCC(C)N[C@@H]1CONC1=O 2230a_100000765999_100000758301 [0,0,0,1,0,1|2,0,0]=4 8528 B11R1.228 CCC(C)N[C@@H]1CONC1=O 34a_100000765999_100011215416 [0,0,0,1,0,1|2,0,0]=4 8529 B11R1.228 CCC(C)OC1CCCC1=O 34a_200000719330_100011215416 [0,0,0,1,0,1|1,0,0]=3 8530 B11R1.228 CCC(C)OC1CCCC1=O 7a_100000210228_100000211823 [0,0,0,1,0,1|1,0,0]=3 8531 B11R1.228 CCC(C)OC1CCOC1=O 7a_100000210228_100000211211 [0,0,0,1,0,1|0,0,0]=2 8532 B11R1.228 CCC(C)O[C@H]1CCNC1=O 34a_100000688343_100011215416 [0,0,0,1,0,1|1,0,0]=3 8533 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000211823_100000758301 [0,0,0,1,0,1|1,0,0]=3 8534 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000758301_100000211823 [0,0,0,1,0,1|1,0,0]=3 8535 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000211211_100000758301 [0,0,0,1,0,1|0,0,0]=2 8536 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000758301_100000211211 [0,0,0,1,0,1|0,0,0]=2 8537 B11R1.228 CCN(C)CN1CCCC1=O 269982a_100000225621_100000026320 [0,0,0,1,0,1|2,0,0]=4 8538 B11R1.228 COC(C)SC1CCCC1=O 62a_100000211823_100009879195 [0,0,0,1,0,1|2,0,0]=4 8539 B11R1.228 COC(C)SC1CCCC1=O 62a_100009879195_100000211823 [0,0,0,1,0,1|2,0,0]=4 8540 B11R1.228 COC(C)SC1CCOC1=O 62a_100000211211_100009879195 [0,0,0,1,0,1|1,0,0]=3 8541 B11R1.228 COC(C)SC1CCOC1=O 62a_100009879195_100000211211 [0,0,0,1,0,1|1,0,0]=3 8542 B11R1.228 C[C@H](CO)NC1CCCC1=O 2230a_100000737577_100000211823 [0,0,0,1,0,1|2,0,0]=4 8543 B11R1.228 C[C@H](CO)NC1CCOC1=O 2230a_100000737577_100000211211 [0,0,0,1,0,1|1,0,0]=3 8544 B11R1.228 C[C@H](CO)SC1CCCC1=O 62a_100000211823_100016084084 [0,0,0,1,0,1|2,0,0]=4 8545 B11R1.228 C[C@H](CO)SC1CCCC1=O 62a_100016084084_100000211823 [0,0,0,1,0,1|2,0,0]=4 8546 B11R1.228 C[C@H](CO)SC1CCOC1=O 62a_100000211211_100016084084 [0,0,0,1,0,1|1,0,0]=3 8547 B11R1.228 C[C@H](CO)SC1CCOC1=O 62a_100016084084_100000211211 [0,0,0,1,0,1|1,0,0]=3 8548 B11R1.288 CCCC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747444 [0,0,0,1,0,1|2,0,0]=4 8549 B11R1.288 CCCC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747444 [0,0,0,1,0,1|2,0,0]=4 8550 B11R1.288 CCNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183381 [0,0,0,1,0,1|2,0,0]=4 8551 B11R1.288 CCNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183381 [0,0,0,1,0,1|2,0,0]=4 8552 B11R1.288 CCNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000183381 [0,0,0,1,0,1|2,0,0]=4 8553 B11R1.288 CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000188475 [0,0,0,1,0,1|1,0,0]=3 8554 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000188475 [0,0,0,1,0,1|1,0,0]=3 8555 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000188475 [0,0,0,1,0,1|1,0,0]=3 8556 B11R1.289 C=COC(=O)CNC1CCC1 2230a_100000749019_100000036128 [0,0,0,1,0,1|0,0,2]=4 8557 B11R1.289 C=COC(=O)CNC1CCC1 34a_100000749019_100000036128 [0,0,0,1,0,1|0,0,2]=4 8558 B11R1.289 C=COC(=O)COC1CCC1 34a_100000748187_100000036128 [0,0,0,1,0,1|0,0,2]=4 8559 B11R1.289 C=COC(=O)CSC1CCC1 62a_100000036128_100000749161 [0,0,0,1,0,1|0,0,2]=4 8560 B11R1.289 CC=CC(=O)NCC1CCC1 11a_100000738700_100000210699 [0,0,0,1,0,1|1,0,1]=4 8561 B11R1.289 CC=CC(=O)NCC1CCC1 1626a_100000738700_100000210699 [0,0,0,1,0,1|1,0,1]=4 8562 B11R1.289 CC=CC(=O)NCC1CCC1 240690a_100000738700_100000210699 [0,0,0,1,0,1|1,0,1]=4 8563 B11R1.289 CCCC(=O)CNC1CCC1 2230a_100000749019_100000747444 [0,0,0,1,0,1|1,0,0]=3 8564 B11R1.289 CCCC(=O)CNC1COC1 2230a_100016991112_100000747444 [0,0,0,1,0,1|2,0,0]=4 8565 B11R1.289 CCCC(=O)COC1CSC1 7a_100000072292_100000747444 [0,0,0,1,0,1|2,0,0]=4 8566 B11R1.289 CCCC(=O)CSC1CCC1 62a_100000747444_100000749161 [0,0,0,1,0,1|1,0,0]=3 8567 B11R1.289 CCCC(=O)CSC1COC1 62a_100000747444_100009818527 [0,0,0,1,0,1|2,0,0]=4 8568 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [0,0,0,1,0,1|1,0,0]=3 8569 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [0,0,0,1,0,1|1,0,0]=3 8570 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [0,0,0,1,0,1|1,0,0]=3 8571 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [0,0,0,1,0,1|1,0,0]=3 8572 B11R1.289 CCCC(=O)NCC1COC1 11a_100015281925_100000211992 [0,0,0,1,0,1|2,0,0]=4 8573 B11R1.289 CCCC(=O)NCC1COC1 1626a_100015281925_100000211992 [0,0,0,1,0,1|2,0,0]=4 8574 B11R1.289 CCCC(=O)NCC1COC1 240690a_100015281925_100000211992 [0,0,0,1,0,1|2,0,0]=4 8575 B11R1.289 CCCC(=O)NCC1COC1 527a_100015281925_100000211992 [0,0,0,1,0,1|2,0,0]=4 8576 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [0,0,0,1,0,1|2,0,0]=4 8577 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [0,0,0,1,0,1|2,0,0]=4 8578 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [0,0,0,1,0,1|2,0,0]=4 8579 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [0,0,0,1,0,1|2,0,0]=4 8580 B11R1.289 CCCC(=O)NNC1CCC1 22a_100000736358_100000211992 [0,0,0,1,0,1|2,0,0]=4 8581 B11R1.289 CCCC(=O)OCN1CCC1 269982a_100000754969_100000034017 [0,0,0,1,0,1|2,0,0]=4 8582 B11R1.289 CCNC(=O)CCN1CCC1 269982a_100000754969_100000737597 [0,0,0,1,0,1|2,0,0]=4 8583 B11R1.289 CCNC(=O)CNC1CCC1 2230a_100000749019_100000183381 [0,0,0,1,0,1|1,0,0]=3 8584 B11R1.289 CCNC(=O)CNC1CCC1 270004a_100016988866_100000241760 [0,0,0,1,0,1|1,0,0]=3 8585 B11R1.289 CCNC(=O)CNC1CCC1 34a_100000749019_100000183381 [0,0,0,1,0,1|1,0,0]=3 8586 B11R1.289 CCNC(=O)CNC1COC1 2230a_100016991112_100000183381 [0,0,0,1,0,1|2,0,0]=4 8587 B11R1.289 CCNC(=O)COC1CCC1 34a_100000748187_100000183381 [0,0,0,1,0,1|1,0,0]=3 8588 B11R1.289 CCNC(=O)COC1CSC1 7a_100000072292_100000183381 [0,0,0,1,0,1|2,0,0]=4 8589 B11R1.289 CCNC(=O)CSC1CCC1 62a_100000183381_100000749161 [0,0,0,1,0,1|1,0,0]=3 8590 B11R1.289 CCNC(=O)CSC1COC1 62a_100000183381_100009818527 [0,0,0,1,0,1|2,0,0]=4 8591 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100000738700_100015525214 [0,0,0,1,0,1|1,0,0]=3 8592 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100015525214_100000738700 [0,0,0,1,0,1|1,0,0]=3 8593 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100000738700_100015525214 [0,0,0,1,0,1|1,0,0]=3 8594 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100015525214_100000738700 [0,0,0,1,0,1|1,0,0]=3 8595 B11R1.289 CCNC(=O)NCC1CCC1 512a_100000738700_100015525214 [0,0,0,1,0,1|1,0,0]=3 8596 B11R1.289 CCNC(=O)NCC1CCC1 512a_100015525214_100000738700 [0,0,0,1,0,1|1,0,0]=3 8597 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015281925_100015525214 [0,0,0,1,0,1|2,0,0]=4 8598 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015525214_100015281925 [0,0,0,1,0,1|2,0,0]=4 8599 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015281925_100015525214 [0,0,0,1,0,1|2,0,0]=4 8600 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015525214_100015281925 [0,0,0,1,0,1|2,0,0]=4 8601 B11R1.289 CCNC(=O)NCC1COC1 512a_100015281925_100015525214 [0,0,0,1,0,1|2,0,0]=4 8602 B11R1.289 CCNC(=O)NCC1COC1 512a_100015525214_100015281925 [0,0,0,1,0,1|2,0,0]=4 8603 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100015525214_100020831831 [0,0,0,1,0,1|2,0,0]=4 8604 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100015525214 [0,0,0,1,0,1|2,0,0]=4 8605 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100015525214_100020831831 [0,0,0,1,0,1|2,0,0]=4 8606 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100015525214 [0,0,0,1,0,1|2,0,0]=4 8607 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100015525214_100020831831 [0,0,0,1,0,1|2,0,0]=4 8608 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100015525214 [0,0,0,1,0,1|2,0,0]=4 8609 B11R1.289 CCNC(=O)NNC1CCC1 273464a_100015525214_100000736358 [0,0,0,1,0,1|2,0,0]=4 8610 B11R1.289 CCNC(=O)NNC1CCC1 512a_100000736358_100015525214 [0,0,0,1,0,1|2,0,0]=4 8611 B11R1.289 CCNC(=O)NNC1CCC1 512a_100015525214_100000736358 [0,0,0,1,0,1|2,0,0]=4 8612 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [0,0,0,1,0,1|1,0,0]=3 8613 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [0,0,0,1,0,1|0,0,0]=2 8614 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [0,0,0,1,0,1|0,0,0]=2 8615 B11R1.289 CCOC(=O)CNC1COC1 2230a_100016991112_100000188475 [0,0,0,1,0,1|1,0,0]=3 8616 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [0,0,0,1,0,1|0,0,0]=2 8617 B11R1.289 CCOC(=O)COC1CSC1 7a_100000072292_100000188475 [0,0,0,1,0,1|1,0,0]=3 8618 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [0,0,0,1,0,1|0,0,0]=2 8619 B11R1.289 CCOC(=O)CSC1COC1 62a_100000188475_100009818527 [0,0,0,1,0,1|1,0,0]=3 8620 B11R1.289 CNNC(=O)NCC1CCC1 273464a_100000738700_100016993582 [0,0,0,1,0,1|2,0,0]=4 8621 B11R1.289 CNNC(=O)NCC1CCC1 512a_100000738700_100016993582 [0,0,0,1,0,1|2,0,0]=4 8622 B11R1.289 CNNC(=O)NCC1CCC1 512a_100016993582_100000738700 [0,0,0,1,0,1|2,0,0]=4 8623 B11R1.289 COCC(=O)NCC1CCC1 11a_100000738700_100000210968 [0,0,0,1,0,1|2,0,0]=4 8624 B11R1.289 COCC(=O)NCC1CCC1 1626a_100000738700_100000210968 [0,0,0,1,0,1|2,0,0]=4 8625 B11R1.289 COCC(=O)NCC1CCC1 240690a_100000738700_100000210968 [0,0,0,1,0,1|2,0,0]=4 8626 B11R1.289 COCC(=O)NCC1CCC1 527a_100000738700_100000210968 [0,0,0,1,0,1|2,0,0]=4 8627 B11R1.289 CSCC(=O)NCC1CCC1 11a_100000738700_100000184570 [0,0,0,1,0,1|2,0,0]=4 8628 B11R1.289 CSCC(=O)NCC1CCC1 1626a_100000738700_100000184570 [0,0,0,1,0,1|2,0,0]=4 8629 B11R1.289 CSCC(=O)NCC1CCC1 240690a_100000738700_100000184570 [0,0,0,1,0,1|2,0,0]=4 8630 B11R1.289 CSCC(=O)NCC1CCC1 527a_100000738700_100000184570 [0,0,0,1,0,1|2,0,0]=4 8631 B11R1.289 O=C(CCO)NCC1CCC1 240690a_100000738700_100011216618 [0,0,0,1,0,1|2,0,0]=4 8632 B11R1.289 O=C(CNC1CCC1)NCO 2230a_100000749019_100000185155 [0,0,0,1,0,1|2,0,0]=4 8633 B11R1.289 O=C(CNC1CCC1)NCO 34a_100000749019_100000185155 [0,0,0,1,0,1|2,0,0]=4 8634 B11R1.289 O=C(COC1CCC1)NCO 34a_100000748187_100000185155 [0,0,0,1,0,1|2,0,0]=4 8635 B11R1.289 O=C(CSC1CCC1)NCO 62a_100000185155_100000749161 [0,0,0,1,0,1|2,0,0]=4 8636 B11R1.291 C=COC(=O)CN1CCC1C 269982a_100000755817_100000036128 [0,0,0,1,0,1|0,0,2]=4 8637 B11R1.291 C=COC(=O)CN1CCC1C 34a_100000755817_100000036128 [0,0,0,1,0,1|0,0,2]=4 8638 B11R1.291 CC1CCN1CC(=O)NCO 269982a_100000755817_100000185155 [0,0,0,1,0,1|2,0,0]=4 8639 B11R1.291 CC1CCN1CC(=O)NCO 34a_100000755817_100000185155 [0,0,0,1,0,1|2,0,0]=4 8640 B11R1.291 CCCC(=O)CN1CCC1C 269982a_100000755817_100000747444 [0,0,0,1,0,1|1,0,0]=3 8641 B11R1.291 CCNC(=O)CN1CCC1C 269982a_100000755817_100000183381 [0,0,0,1,0,1|1,0,0]=3 8642 B11R1.291 CCNC(=O)CN1CCC1C 34a_100000755817_100000183381 [0,0,0,1,0,1|1,0,0]=3 8643 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [0,0,0,1,0,1|0,0,0]=2 8644 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [0,0,0,1,0,1|0,0,0]=2 8645 B11R1.338 C=COC(=O)CNC1(CC1)C 2230a_100000757604_100000036128 [0,0,0,1,0,1|0,0,2]=4 8646 B11R1.338 CC1(CC1)CNC(=O)CCO 240690a_100000766693_100011216618 [0,0,0,1,0,1|2,0,0]=4 8647 B11R1.338 CC1(CC1)NCC(=O)NCO 2230a_100000757604_100000185155 [0,0,0,1,0,1|2,0,0]=4 8648 B11R1.338 CC1(CC1)OCC(=O)NCO 7a_100011725673_100000185155 [0,0,0,1,0,1|2,0,0]=4 8649 B11R1.338 CC=CC(=O)NCC1(CC1)C 11a_100000766693_100000210699 [0,0,0,1,0,1|1,0,1]=4 8650 B11R1.338 CC=CC(=O)NCC1(CC1)C 1626a_100000766693_100000210699 [0,0,0,1,0,1|1,0,1]=4 8651 B11R1.338 CC=CC(=O)NCC1(CC1)C 240690a_100000766693_100000210699 [0,0,0,1,0,1|1,0,1]=4 8652 B11R1.338 CCCC(=O)CNC1(CC1)C 2230a_100000757604_100000747444 [0,0,0,1,0,1|1,0,0]=3 8653 B11R1.338 CCCC(=O)COC1(CC1)C 7a_100011725673_100000747444 [0,0,0,1,0,1|1,0,0]=3 8654 B11R1.338 CCCC(=O)NCC1(CC1)C 11a_100000766693_100000211992 [0,0,0,1,0,1|1,0,0]=3 8655 B11R1.338 CCCC(=O)NCC1(CC1)C 1626a_100000766693_100000211992 [0,0,0,1,0,1|1,0,0]=3 8656 B11R1.338 CCCC(=O)NCC1(CC1)C 240690a_100000766693_100000211992 [0,0,0,1,0,1|1,0,0]=3 8657 B11R1.338 CCCC(=O)NCC1(CC1)C 527a_100000766693_100000211992 [0,0,0,1,0,1|1,0,0]=3 8658 B11R1.338 CCCC(=O)NCC1(CC1)O 11a_100011936951_100000211992 [0,0,0,1,0,1|2,0,0]=4 8659 B11R1.338 CCCC(=O)NCC1(CC1)O 240690a_100011936951_100000211992 [0,0,0,1,0,1|2,0,0]=4 8660 B11R1.338 CCCC(=O)NCC1(CC1)O 527a_100011936951_100000211992 [0,0,0,1,0,1|2,0,0]=4 8661 B11R1.338 CCNC(=O)CNC1(CC1)C 2230a_100000757604_100000183381 [0,0,0,1,0,1|1,0,0]=3 8662 B11R1.338 CCNC(=O)COC1(CC1)C 7a_100011725673_100000183381 [0,0,0,1,0,1|1,0,0]=3 8663 B11R1.338 CCNC(=O)NCC1(CC1)C 2708a_100000766693_100015525214 [0,0,0,1,0,1|1,0,0]=3 8664 B11R1.338 CCNC(=O)NCC1(CC1)C 2708a_100015525214_100000766693 [0,0,0,1,0,1|1,0,0]=3 8665 B11R1.338 CCNC(=O)NCC1(CC1)C 273464a_100000766693_100015525214 [0,0,0,1,0,1|1,0,0]=3 8666 B11R1.338 CCNC(=O)NCC1(CC1)C 273464a_100015525214_100000766693 [0,0,0,1,0,1|1,0,0]=3 8667 B11R1.338 CCNC(=O)NCC1(CC1)C 512a_100000766693_100015525214 [0,0,0,1,0,1|1,0,0]=3 8668 B11R1.338 CCNC(=O)NCC1(CC1)C 512a_100015525214_100000766693 [0,0,0,1,0,1|1,0,0]=3 8669 B11R1.338 CCNC(=O)NCC1(CC1)O 2708a_100011936951_100015525214 [0,0,0,1,0,1|2,0,0]=4 8670 B11R1.338 CCNC(=O)NCC1(CC1)O 2708a_100015525214_100011936951 [0,0,0,1,0,1|2,0,0]=4 8671 B11R1.338 CCNC(=O)NCC1(CC1)O 273464a_100015525214_100011936951 [0,0,0,1,0,1|2,0,0]=4 8672 B11R1.338 CCNC(=O)NCC1(CC1)O 512a_100011936951_100015525214 [0,0,0,1,0,1|2,0,0]=4 8673 B11R1.338 CCNC(=O)NCC1(CC1)O 512a_100015525214_100011936951 [0,0,0,1,0,1|2,0,0]=4 8674 B11R1.338 CCOC(=O)CNC1(CC1)C 2230a_100000757604_100000188475 [0,0,0,1,0,1|0,0,0]=2 8675 B11R1.338 CCOC(=O)COC1(CC1)C 7a_100011725673_100000188475 [0,0,0,1,0,1|0,0,0]=2 8676 B11R1.338 CNNC(=O)NCC1(CC1)C 273464a_100000766693_100016993582 [0,0,0,1,0,1|2,0,0]=4 8677 B11R1.338 CNNC(=O)NCC1(CC1)C 512a_100000766693_100016993582 [0,0,0,1,0,1|2,0,0]=4 8678 B11R1.338 CNNC(=O)NCC1(CC1)C 512a_100016993582_100000766693 [0,0,0,1,0,1|2,0,0]=4 8679 B11R1.338 COCC(=O)NCC1(CC1)C 11a_100000766693_100000210968 [0,0,0,1,0,1|2,0,0]=4 8680 B11R1.338 COCC(=O)NCC1(CC1)C 1626a_100000766693_100000210968 [0,0,0,1,0,1|2,0,0]=4 8681 B11R1.338 COCC(=O)NCC1(CC1)C 240690a_100000766693_100000210968 [0,0,0,1,0,1|2,0,0]=4 8682 B11R1.338 COCC(=O)NCC1(CC1)C 527a_100000766693_100000210968 [0,0,0,1,0,1|2,0,0]=4 8683 B11R1.338 CSCC(=O)NCC1(CC1)C 11a_100000766693_100000184570 [0,0,0,1,0,1|2,0,0]=4 8684 B11R1.338 CSCC(=O)NCC1(CC1)C 1626a_100000766693_100000184570 [0,0,0,1,0,1|2,0,0]=4 8685 B11R1.338 CSCC(=O)NCC1(CC1)C 240690a_100000766693_100000184570 [0,0,0,1,0,1|2,0,0]=4 8686 B11R1.338 CSCC(=O)NCC1(CC1)C 527a_100000766693_100000184570 [0,0,0,1,0,1|2,0,0]=4 8687 B11R1.524 CC(CF)OCC(=O)C1CC1 34a_100016041109_100000746382 [0,0,0,1,0,1|2,0,0]=4 8688 B11R1.524 CC(CF)OCC(=O)C1CC1 7a_100016041109_100000746382 [0,0,0,1,0,1|2,0,0]=4 8689 B11R1.524 CC(CN)OCC(=O)C1CC1 34a_100000210904_100000746382 [0,0,0,1,0,1|2,0,0]=4 8690 B11R1.524 CC(CO)CNC(=O)C1CC1 240690a_100000744482_100000210395 [0,0,0,1,0,1|2,0,0]=4 8691 B11R1.524 CC(CO)CNC(=O)C1CC1 527a_100000744482_100000210395 [0,0,0,1,0,1|2,0,0]=4 8692 B11R1.524 CC(CO)OCC(=O)C1CC1 34a_100000686663_100012180447 [0,0,0,1,0,1|2,0,0]=4 8693 B11R1.524 CC(CO)SCC(=O)C1CC1 62a_100012180447_100000746382 [0,0,0,1,0,1|2,0,0]=4 8694 B11R1.524 CCC(C)CNC(=O)C1CC1 11a_100020588543_100000210395 [0,0,0,1,0,1|1,0,0]=3 8695 B11R1.524 CCC(C)CNC(=O)C1CC1 1626a_100020588543_100000210395 [0,0,0,1,0,1|1,0,0]=3 8696 B11R1.524 CCC(C)CNC(=O)C1CC1 240690a_100020588543_100000210395 [0,0,0,1,0,1|1,0,0]=3 8697 B11R1.524 CCC(C)CNC(=O)C1CC1 527a_100020588543_100000210395 [0,0,0,1,0,1|1,0,0]=3 8698 B11R1.524 CCC(C)CNC(=O)C1CO1 11a_100020588543_100000701028 [0,0,0,1,0,1|2,0,0]=4 8699 B11R1.524 CCC(C)CNC(=O)C1CO1 1626a_100020588543_100000701028 [0,0,0,1,0,1|2,0,0]=4 8700 B11R1.524 CCC(C)CNC(=O)C1CO1 240690a_100020588543_100000701028 [0,0,0,1,0,1|2,0,0]=4 8701 B11R1.524 CCC(C)CNC(=O)C1CO1 527a_100020588543_100000701028 [0,0,0,1,0,1|2,0,0]=4 8702 B11R1.524 CCC(C)NCC(=O)C1CC1 2230a_100000209981_100000746382 [0,0,0,1,0,1|1,0,0]=3 8703 B11R1.524 CCC(C)NNC(=O)C1CC1 22a_100000718999_100000210395 [0,0,0,1,0,1|2,0,0]=4 8704 B11R1.524 CCC(C)OCC(=O)C1CC1 34a_100000686663_100011215416 [0,0,0,1,0,1|1,0,0]=3 8705 B11R1.524 CCC(C)OCC(=O)C1CC1 7a_100000210228_100000746382 [0,0,0,1,0,1|1,0,0]=3 8706 B11R1.524 CCC(C)SCC(=O)C1CC1 62a_100000746382_100000758301 [0,0,0,1,0,1|1,0,0]=3 8707 B11R1.524 CCC(C)SCC(=O)C1CC1 62a_100000758301_100000746382 [0,0,0,1,0,1|1,0,0]=3 8708 B11R1.524 CCC(O)CNC(=O)C1CC1 11a_100011218483_100000210395 [0,0,0,1,0,1|2,0,0]=4 8709 B11R1.524 CCC(O)CNC(=O)C1CC1 240690a_100011218483_100000210395 [0,0,0,1,0,1|2,0,0]=4 8710 B11R1.524 CCC(O)CNC(=O)C1CC1 527a_100011218483_100000210395 [0,0,0,1,0,1|2,0,0]=4 8711 B11R1.524 CCN(C)COC(=O)C1CC1 2230a_100000225621_100000140896 [0,0,0,1,0,1|2,0,0]=4 8712 B11R1.524 CCN(C)COC(=O)C1CC1 269982a_100000225621_100000140896 [0,0,0,1,0,1|2,0,0]=4 8713 B11R1.524 COC(C)SCC(=O)C1CC1 62a_100000746382_100009879195 [0,0,0,1,0,1|2,0,0]=4 8714 B11R1.524 COC(C)SCC(=O)C1CC1 62a_100009879195_100000746382 [0,0,0,1,0,1|2,0,0]=4 8715 B11R1.524 CO[C@H](C)CNC(=O)C1CC1 11a_100020591295_100000210395 [0,0,0,1,0,1|2,0,0]=4 8716 B11R1.524 CO[C@H](C)CNC(=O)C1CC1 1626a_100020591295_100000210395 [0,0,0,1,0,1|2,0,0]=4 8717 B11R1.524 CO[C@H](C)CNC(=O)C1CC1 240690a_100020591295_100000210395 [0,0,0,1,0,1|2,0,0]=4 8718 B11R1.524 CO[C@H](C)CNC(=O)C1CC1 527a_100020591295_100000210395 [0,0,0,1,0,1|2,0,0]=4 8719 B11R1.524 C[C@H](CO)NCC(=O)C1CC1 2230a_100000737577_100000746382 [0,0,0,1,0,1|2,0,0]=4 8720 B11R1.524 C[C@H](CO)SCC(=O)C1CC1 62a_100000746382_100016084084 [0,0,0,1,0,1|2,0,0]=4 8721 B11R1.524 C[C@H](CO)SCC(=O)C1CC1 62a_100016084084_100000746382 [0,0,0,1,0,1|2,0,0]=4 8722 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000211992 [0,0,0,1,0,1|2,0,0]=4 8723 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000211992 [0,0,0,1,0,1|2,0,0]=4 8724 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000211992 [0,0,0,1,0,1|2,0,0]=4 8725 B11R1.820 CCNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100015525214_206633788156 [0,0,0,1,0,1|2,0,0]=4 8726 B11R1.820 CCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100015525214_206633788156 [0,0,0,1,0,1|2,0,0]=4 8727 B11R1.822 CC=CC(=O)N1CC(C1)CC 11a_100015205115_100000210699 [0,0,0,1,0,1|1,0,1]=4 8728 B11R1.822 CC=CC(=O)N1CC(C1)CC 1626a_100015205115_100000210699 [0,0,0,1,0,1|1,0,1]=4 8729 B11R1.822 CC=CC(=O)N1CC(C1)CC 240690a_100015205115_100000210699 [0,0,0,1,0,1|1,0,1]=4 8730 B11R1.822 CCC1CN(C1)C(=O)CCO 240690a_100015205115_100011216618 [0,0,0,1,0,1|2,0,0]=4 8731 B11R1.822 CCC1CN(C1)C(=O)COC 11a_100015205115_100000210968 [0,0,0,1,0,1|2,0,0]=4 8732 B11R1.822 CCC1CN(C1)C(=O)COC 1626a_100015205115_100000210968 [0,0,0,1,0,1|2,0,0]=4 8733 B11R1.822 CCC1CN(C1)C(=O)COC 240690a_100015205115_100000210968 [0,0,0,1,0,1|2,0,0]=4 8734 B11R1.822 CCC1CN(C1)C(=O)COC 527a_100015205115_100000210968 [0,0,0,1,0,1|2,0,0]=4 8735 B11R1.822 CCC1CN(C1)C(=O)CSC 11a_100015205115_100000184570 [0,0,0,1,0,1|2,0,0]=4 8736 B11R1.822 CCC1CN(C1)C(=O)CSC 1626a_100015205115_100000184570 [0,0,0,1,0,1|2,0,0]=4 8737 B11R1.822 CCC1CN(C1)C(=O)CSC 240690a_100015205115_100000184570 [0,0,0,1,0,1|2,0,0]=4 8738 B11R1.822 CCC1CN(C1)C(=O)CSC 527a_100015205115_100000184570 [0,0,0,1,0,1|2,0,0]=4 8739 B11R1.822 CCCC(=O)C1CC(C1)CO 1458a_206645079618_100000210303 [0,0,0,1,0,1|2,0,0]=4 8740 B11R1.822 CCCC(=O)C1CC(C1)OC 1458a_100011999411_100000210303 [0,0,0,1,0,1|2,0,0]=4 8741 B11R1.822 CCCC(=O)N1CC(C1)CC 11a_100015205115_100000211992 [0,0,0,1,0,1|1,0,0]=3 8742 B11R1.822 CCCC(=O)N1CC(C1)CC 1626a_100015205115_100000211992 [0,0,0,1,0,1|1,0,0]=3 8743 B11R1.822 CCCC(=O)N1CC(C1)CC 240690a_100015205115_100000211992 [0,0,0,1,0,1|1,0,0]=3 8744 B11R1.822 CCCC(=O)N1CC(C1)CC 527a_100015205115_100000211992 [0,0,0,1,0,1|1,0,0]=3 8745 B11R1.822 CCCC(=O)N1CC(C1)CF 11a_100010363649_100000211992 [0,0,0,1,0,1|2,0,0]=4 8746 B11R1.822 CCCC(=O)N1CC(C1)CF 240690a_100010363649_100000211992 [0,0,0,1,0,1|2,0,0]=4 8747 B11R1.822 CCCC(=O)N1CC(C1)CF 527a_100010363649_100000211992 [0,0,0,1,0,1|2,0,0]=4 8748 B11R1.822 CCCC(=O)N1CC(C1)CO 240690a_100016987283_100000211992 [0,0,0,1,0,1|2,0,0]=4 8749 B11R1.822 CCCC(=O)N1CC(C1)CO 527a_100016987283_100000211992 [0,0,0,1,0,1|2,0,0]=4 8750 B11R1.822 CCCC(=O)N1CC(C1)OC 11a_100000755009_100000211992 [0,0,0,1,0,1|2,0,0]=4 8751 B11R1.822 CCCC(=O)N1CC(C1)OC 1626a_100000755009_100000211992 [0,0,0,1,0,1|2,0,0]=4 8752 B11R1.822 CCCC(=O)N1CC(C1)OC 240690a_100000755009_100000211992 [0,0,0,1,0,1|2,0,0]=4 8753 B11R1.822 CCCC(=O)N1CC(C1)OC 527a_100000755009_100000211992 [0,0,0,1,0,1|2,0,0]=4 8754 B11R1.822 CCCC(=O)N1CC(C1)SC 11a_100016990038_100000211992 [0,0,0,1,0,1|2,0,0]=4 8755 B11R1.822 CCCC(=O)N1CC(C1)SC 1626a_100016990038_100000211992 [0,0,0,1,0,1|2,0,0]=4 8756 B11R1.822 CCCC(=O)N1CC(C1)SC 240690a_100016990038_100000211992 [0,0,0,1,0,1|2,0,0]=4 8757 B11R1.822 CCCC(=O)N1CC(C1)SC 527a_100016990038_100000211992 [0,0,0,1,0,1|2,0,0]=4 8758 B11R1.822 CCNC(=O)C1CC(C1)OC 11a_100015525214_100011999411 [0,0,0,1,0,1|2,0,0]=4 8759 B11R1.822 CCNC(=O)C1CC(C1)OC 240690a_100015525214_100011999411 [0,0,0,1,0,1|2,0,0]=4 8760 B11R1.822 CCNC(=O)C1CC(C1)OC 527a_100015525214_100011999411 [0,0,0,1,0,1|2,0,0]=4 8761 B11R1.822 CCNC(=O)N1CC(C1)CC 2708a_100015525214_100015205115 [0,0,0,1,0,1|1,0,0]=3 8762 B11R1.822 CCNC(=O)N1CC(C1)CC 273464a_100015525214_100015205115 [0,0,0,1,0,1|1,0,0]=3 8763 B11R1.822 CCNC(=O)N1CC(C1)CF 2708a_100015525214_100010363649 [0,0,0,1,0,1|2,0,0]=4 8764 B11R1.822 CCNC(=O)N1CC(C1)CF 273464a_100015525214_100010363649 [0,0,0,1,0,1|2,0,0]=4 8765 B11R1.822 CCNC(=O)N1CC(C1)CO 2708a_100015525214_100016987283 [0,0,0,1,0,1|2,0,0]=4 8766 B11R1.822 CCNC(=O)N1CC(C1)CO 273464a_100015525214_100016987283 [0,0,0,1,0,1|2,0,0]=4 8767 B11R1.822 CCNC(=O)N1CC(C1)OC 2708a_100015525214_100000755009 [0,0,0,1,0,1|2,0,0]=4 8768 B11R1.822 CCNC(=O)N1CC(C1)OC 273464a_100015525214_100000755009 [0,0,0,1,0,1|2,0,0]=4 8769 B11R1.822 CCNC(=O)N1CC(C1)SC 2708a_100015525214_100016990038 [0,0,0,1,0,1|2,0,0]=4 8770 B11R1.822 CCNC(=O)N1CC(C1)SC 273464a_100015525214_100016990038 [0,0,0,1,0,1|2,0,0]=4 8771 B11R1.822 CCOC(=O)C1CC(C1)OC 7a_100000093532_200000210301 [0,0,0,1,0,1|1,0,0]=3 8772 B11R1.822 CCOC(=O)C1CC(C1)O[13CH3] 7a_100000093532_200025704644 [0,0,0,1,0,1|1,0,0]=3 8773 B11R1.822 CCOC(=O)C1CN(C1)CC 269982a_100015188541_100000204670 [0,0,0,1,0,1|1,0,0]=3 8774 B11R1.822 CCOC(=O)C1CN(C1)CF 269982a_100015188541_100015361967 [0,0,0,1,0,1|2,0,0]=4 8775 B11R1.30 CC#CC(=O)CC1CCCC1 1458a_100000763181_100000740388 [0,1,0,1,0,0|1,0,1]=4 8776 B11R1.30 CC#CC(=O)CC1CCCO1 1458a_100000763181_100000203698 [0,1,0,1,0,0|1,0,1]=4 8777 B11R1.30 CC#CC(=O)CC1CCOC1 1458a_100000763181_100000702531 [0,1,0,1,0,0|1,0,1]=4 8778 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [0,1,0,1,0,0|1,0,1]=4 8779 B11R1.30 CC=CC(=O)CC1CCCO1 1458a_100000210699_100000203698 [0,1,0,1,0,0|1,0,1]=4 8780 B11R1.30 CC=CC(=O)CC1CCOC1 1458a_100000210699_100000702531 [0,1,0,1,0,0|1,0,1]=4 8781 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,1,0,1,0,0|1,0,1]=4 8782 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,1,0,1,0,0|1,0,1]=4 8783 B11R1.30 CCCC(=O)CC1CC=CC1 1458a_200000137526_100000210303 [0,1,0,1,0,0|1,0,1]=4 8784 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,1,0,1,0,0|1,0,0]=3 8785 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,1,0,1,0,0|1,0,0]=3 8786 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,1,0,1,0,0|1,0,0]=3 8787 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [0,1,0,1,0,0|1,0,0]=3 8788 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [0,1,0,1,0,0|1,0,0]=3 8789 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,1,0,1,0,0|2,0,0]=4 8790 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,1,0,1,0,0|2,0,0]=4 8791 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,1,0,1,0,0|2,0,0]=4 8792 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,1,0,1,0,0|2,0,0]=4 8793 B11R1.30 CCCC(=O)CN1CCSC1 2230a_100011215254_100000747444 [0,1,0,1,0,0|2,0,0]=4 8794 B11R1.30 CCCC(=O)CN1CCSC1 269982a_100011215254_100000747444 [0,1,0,1,0,0|2,0,0]=4 8795 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,1,0,1,0,0|2,0,0]=4 8796 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,1,0,1,0,0|2,0,0]=4 8797 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,1,0,1,0,0|2,0,0]=4 8798 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,1,0,1,0,0|2,0,0]=4 8799 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211992 [0,1,0,1,0,0|2,0,0]=4 8800 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211992 [0,1,0,1,0,0|2,0,0]=4 8801 B11R1.30 CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 8802 B11R1.30 CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 8803 B11R1.30 CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 8804 B11R1.30 CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 8805 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,1,0,1,0,0|1,0,1]=4 8806 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,1,0,1,0,0|1,0,1]=4 8807 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,1,0,1,0,0|1,0,1]=4 8808 B11R1.30 CCNC(=O)CC1C=CCC1 11a_100015525214_100000212241 [0,1,0,1,0,0|1,0,1]=4 8809 B11R1.30 CCNC(=O)CC1C=CCC1 240690a_100015525214_100000212241 [0,1,0,1,0,0|1,0,1]=4 8810 B11R1.30 CCNC(=O)CC1C=CCC1 527a_100015525214_100000212241 [0,1,0,1,0,0|1,0,1]=4 8811 B11R1.30 CCNC(=O)CC1CC=CC1 11a_100015525214_200000137526 [0,1,0,1,0,0|1,0,1]=4 8812 B11R1.30 CCNC(=O)CC1CC=CC1 240690a_100015525214_200000137526 [0,1,0,1,0,0|1,0,1]=4 8813 B11R1.30 CCNC(=O)CC1CC=CC1 527a_100015525214_200000137526 [0,1,0,1,0,0|1,0,1]=4 8814 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,1,0,1,0,0|1,0,0]=3 8815 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,1,0,1,0,0|1,0,0]=3 8816 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,1,0,1,0,0|1,0,0]=3 8817 B11R1.30 CCNC(=O)CC1CCOC1 11a_100015525214_100011218419 [0,1,0,1,0,0|1,0,0]=3 8818 B11R1.30 CCNC(=O)CC1CCOC1 240690a_100015525214_100011218419 [0,1,0,1,0,0|1,0,0]=3 8819 B11R1.30 CCNC(=O)CC1CCOC1 527a_100015525214_100011218419 [0,1,0,1,0,0|1,0,0]=3 8820 B11R1.30 CCNC(=O)CN1CCCC1 2230a_100000188435_100000183381 [0,1,0,1,0,0|2,0,0]=4 8821 B11R1.30 CCNC(=O)CN1CCCC1 240690a_100015525214_100000740243 [0,1,0,1,0,0|2,0,0]=4 8822 B11R1.30 CCNC(=O)CN1CCCC1 269982a_100000188435_100000183381 [0,1,0,1,0,0|2,0,0]=4 8823 B11R1.30 CCNC(=O)CN1CCCC1 527a_100015525214_100000740243 [0,1,0,1,0,0|2,0,0]=4 8824 B11R1.30 CCNC(=O)CN1CCSC1 2230a_100011215254_100000183381 [0,1,0,1,0,0|2,0,0]=4 8825 B11R1.30 CCNC(=O)CN1CCSC1 269982a_100011215254_100000183381 [0,1,0,1,0,0|2,0,0]=4 8826 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [0,1,0,1,0,0|2,0,0]=4 8827 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [0,1,0,1,0,0|2,0,0]=4 8828 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [0,1,0,1,0,0|2,0,0]=4 8829 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [0,1,0,1,0,0|2,0,0]=4 8830 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [0,1,0,1,0,0|2,0,0]=4 8831 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [0,1,0,1,0,0|2,0,0]=4 8832 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_100015525214_200015188469 [0,1,0,1,0,0|2,0,0]=4 8833 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100015525214 [0,1,0,1,0,0|2,0,0]=4 8834 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_100015525214_200015188469 [0,1,0,1,0,0|2,0,0]=4 8835 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100015525214 [0,1,0,1,0,0|2,0,0]=4 8836 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 512a_100015525214_200015188469 [0,1,0,1,0,0|2,0,0]=4 8837 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100015525214 [0,1,0,1,0,0|2,0,0]=4 8838 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015525214_100015188467 [0,1,0,1,0,0|2,0,0]=4 8839 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100015525214 [0,1,0,1,0,0|2,0,0]=4 8840 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015525214_100015188467 [0,1,0,1,0,0|2,0,0]=4 8841 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015188467_100015525214 [0,1,0,1,0,0|2,0,0]=4 8842 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015525214_100015188467 [0,1,0,1,0,0|2,0,0]=4 8843 B11R1.30 CCOC(=O)CN1CC=CC1 269982a_100015195280_100000188475 [0,1,0,1,0,0|1,0,1]=4 8844 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,1,0,1,0,0|1,0,0]=3 8845 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,1,0,1,0,0|1,0,0]=3 8846 B11R1.30 CCOC(=O)CN1CCSC1 2230a_100011215254_100000188475 [0,1,0,1,0,0|1,0,0]=3 8847 B11R1.30 CCOC(=O)CN1CCSC1 269982a_100011215254_100000188475 [0,1,0,1,0,0|1,0,0]=3 8848 B11R1.30 CNNC(=O)CC1CCCC1 22a_100016993582_100000210891 [0,1,0,1,0,0|2,0,0]=4 8849 B11R1.30 CNNC(=O)CC1CCOC1 22a_100016993582_100011218419 [0,1,0,1,0,0|2,0,0]=4 8850 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,1,0,1,0,0|2,0,0]=4 8851 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,1,0,1,0,0|2,0,0]=4 8852 B11R1.30 COCC(=O)CC1CCOC1 1458a_100000210968_100000702531 [0,1,0,1,0,0|2,0,0]=4 8853 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,1,0,1,0,0|2,0,0]=4 8854 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,1,0,1,0,0|2,0,0]=4 8855 B11R1.30 CSCC(=O)CC1CCOC1 1458a_100000184570_100000702531 [0,1,0,1,0,0|2,0,0]=4 8856 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,1,0,1,0,0|2,0,0]=4 8857 B11R1.30 O=C(CCF)CC1CCOC1 1458a_100011218419_100011217306 [0,1,0,1,0,0|2,0,0]=4 8858 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,1,0,1,0,0|2,0,0]=4 8859 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,1,0,1,0,0|2,0,0]=4 8860 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,1,0,1,0,0|2,0,0]=4 8861 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011216618_100000702531 [0,1,0,1,0,0|2,0,0]=4 8862 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011218419_100000211926 [0,1,0,1,0,0|2,0,0]=4 8863 B11R1.34 CCNC1CC(OC(C1)C)C 270004a_100015525214_200102525066 [0,1,0,1,0,0|1,0,1]=4 8864 B11R1.34 CCOC1CC(OC(C1)C)C 34a_200000691454_100000210202 [0,1,0,1,0,0|1,0,1]=4 8865 B11R1.34 CCOC1CC(OC(C1)C)C 7a_200000691454_100000210202 [0,1,0,1,0,0|1,0,1]=4 8866 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,1,0,1,0,0|2,0,0]=4 8867 B11R1.110 COCN1CCCNC(=O)C1 2230a_100015190381_100000766300 [0,1,0,1,0,0|2,0,0]=4 8868 B11R1.110 CSCN1CCCNC(=O)C1 2230a_100015190381_100011218213 [0,1,0,1,0,0|2,0,0]=4 8869 B11R1.110 O=C1CN(CCCN1)CCF 2230a_100015190381_100011217306 [0,1,0,1,0,0|2,0,0]=4 8870 B11R1.110 O=C1CN(CCCN1)CCO 2230a_100015190381_100000211926 [0,1,0,1,0,0|2,0,0]=4 8871 B11R1.187 CCN1CC(CC1=O)CNC 2230a_100011935115_200000210301 [0,1,0,1,0,0|1,0,0]=3 8872 B11R1.187 CCN1CC(CC1=O)CNC 34a_100011935115_200000210301 [0,1,0,1,0,0|1,0,0]=3 8873 B11R1.187 CCN1CC(CC1=O)CN[13CH3] 2230a_100011935115_200025704644 [0,1,0,1,0,0|1,0,0]=3 8874 B11R1.187 CCN1CC(CC1=O)CN[13CH3] 34a_100011935115_200025704644 [0,1,0,1,0,0|1,0,0]=3 8875 B11R1.187 CCN1CC(CC1=O)COC 34a_100000758270_200000210301 [0,1,0,1,0,0|1,0,0]=3 8876 B11R1.187 CCN1CC(CC1=O)COC 7a_100000758270_200000210301 [0,1,0,1,0,0|1,0,0]=3 8877 B11R1.187 CCN1CC(CC1=O)CO[13CH3] 34a_100000758270_200025704644 [0,1,0,1,0,0|1,0,0]=3 8878 B11R1.187 CCN1CC(CC1=O)CO[13CH3] 7a_100000758270_200025704644 [0,1,0,1,0,0|1,0,0]=3 8879 B11R1.187 CCN1CC(CC1=O)NCF 34a_100015184948_100015361967 [0,1,0,1,0,0|2,0,0]=4 8880 B11R1.187 CCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210202 [0,1,0,1,0,0|1,0,0]=3 8881 B11R1.187 CCNC1CC(=O)N(C1)CC 34a_100015184948_100000210202 [0,1,0,1,0,0|1,0,0]=3 8882 B11R1.199 C#CCN(C)C1CCOC1=O 2230a_100000225692_100000211211 [0,1,0,1,0,0|1,0,1]=4 8883 B11R1.199 C#CCN(C)C1CCOC1=O 34a_100000225692_100000211211 [0,1,0,1,0,0|1,0,1]=4 8884 B11R1.199 C=CCN(C)C1CCOC1=O 2230a_100000225617_100000211211 [0,1,0,1,0,0|1,0,1]=4 8885 B11R1.199 C=CCN(C)C1CCOC1=O 269982a_100000225617_100000211211 [0,1,0,1,0,0|1,0,1]=4 8886 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,1,0,1,0,0|2,0,0]=4 8887 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,1,0,1,0,0|2,0,0]=4 8888 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,1,0,1,0,0|1,0,0]=3 8889 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,1,0,1,0,0|1,0,1]=4 8890 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,1,0,1,0,0|2,0,0]=4 8891 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,1,0,1,0,0|2,0,0]=4 8892 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,1,0,1,0,0|2,0,0]=4 8893 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,1,0,1,0,0|2,0,0]=4 8894 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,1,0,1,0,0|2,0,0]=4 8895 B11R1.199 CCCC(=O)N1CCSC1C 11a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 8896 B11R1.199 CCCC(=O)N1CCSC1C 1626a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 8897 B11R1.199 CCCC(=O)N1CCSC1C 240690a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 8898 B11R1.199 CCCC(=O)N1CCSC1C 527a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 8899 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,1,0,1,0,0|2,0,0]=4 8900 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [0,1,0,1,0,0|2,0,0]=4 8901 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [0,1,0,1,0,0|2,0,0]=4 8902 B11R1.199 CCCN(C)C1CCOC1=O 2230a_100000747261_100000211211 [0,1,0,1,0,0|1,0,0]=3 8903 B11R1.199 CCCN(C)C1CCOC1=O 269982a_100000747261_100000211211 [0,1,0,1,0,0|1,0,0]=3 8904 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,1,0,1,0,0|1,0,0]=3 8905 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,1,0,1,0,0|1,0,0]=3 8906 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,1,0,1,0,0|1,0,0]=3 8907 B11R1.199 CCNC(=O)C1CSCN1C 240690a_100015525214_100020666735 [0,1,0,1,0,0|2,0,0]=4 8908 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [0,1,0,1,0,0|2,0,0]=4 8909 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [0,1,0,1,0,0|2,0,0]=4 8910 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [0,1,0,1,0,0|2,0,0]=4 8911 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [0,1,0,1,0,0|2,0,0]=4 8912 B11R1.199 CCNC(=O)N1CCSC1C 2708a_100015525214_200011216479 [0,1,0,1,0,0|2,0,0]=4 8913 B11R1.199 CCNC(=O)N1CCSC1C 273464a_100015525214_200011216479 [0,1,0,1,0,0|2,0,0]=4 8914 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [0,1,0,1,0,0|2,0,0]=4 8915 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [0,1,0,1,0,0|2,0,0]=4 8916 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [0,1,0,1,0,0|2,0,0]=4 8917 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [0,1,0,1,0,0|2,0,0]=4 8918 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [0,1,0,1,0,0|2,0,0]=4 8919 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [0,1,0,1,0,0|2,0,0]=4 8920 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [0,1,0,1,0,0|2,0,0]=4 8921 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [0,1,0,1,0,0|2,0,0]=4 8922 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [0,1,0,1,0,0|2,0,0]=4 8923 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,1,0,1,0,0|1,0,0]=3 8924 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,1,0,1,0,0|1,0,0]=3 8925 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,1,0,1,0,0|1,0,0]=3 8926 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,1,0,1,0,0|1,0,0]=3 8927 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [0,1,0,1,0,0|1,0,0]=3 8928 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [0,1,0,1,0,0|1,0,0]=3 8929 B11R1.199 CN(CC#N)C1CCOC1=O 2230a_100000748184_100000211211 [0,1,0,1,0,0|1,0,1]=4 8930 B11R1.199 CN(CCO)C1CCCC1=O 2230a_100000210263_100000211823 [0,1,0,1,0,0|2,0,0]=4 8931 B11R1.199 CN(CCO)C1CCCC1=O 269982a_100000210263_100000211823 [0,1,0,1,0,0|2,0,0]=4 8932 B11R1.199 CN(CCO)C1CCOC1=O 2230a_100000210263_100000211211 [0,1,0,1,0,0|1,0,0]=3 8933 B11R1.199 CN(CCO)C1CCOC1=O 269982a_100000210263_100000211211 [0,1,0,1,0,0|1,0,0]=3 8934 B11R1.199 CNNC(=O)C1CCCC1C 22a_100016993582_100000690547 [0,1,0,1,0,0|2,0,0]=4 8935 B11R1.199 COCC(=O)C1CCOC1=O 1458a_100000210968_100000211211 [0,1,0,1,0,0|1,0,1]=4 8936 B11R1.199 CSCC(=O)C1CCOC1=O 1458a_100000184570_100000211211 [0,1,0,1,0,0|1,0,1]=4 8937 B11R1.199 O=C(CCO)C1CCOC1=O 1458a_100011216618_100000211211 [0,1,0,1,0,0|1,0,1]=4 8938 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,1,0,1,0,0|1,0,1]=4 8939 B11R1.201 CCCC(=O)CN1CC(C1)C 2230a_100000702820_100000747444 [0,1,0,1,0,0|2,0,0]=4 8940 B11R1.201 CCCC(=O)CN1CC(C1)C 269982a_100000702820_100000747444 [0,1,0,1,0,0|2,0,0]=4 8941 B11R1.201 CCCC(=O)CN1CC(C1)F 2230a_100000690557_100000747444 [0,1,0,1,0,0|2,0,0]=4 8942 B11R1.201 CCCC(=O)CN1CC(C1)F 269982a_100000690557_100000747444 [0,1,0,1,0,0|2,0,0]=4 8943 B11R1.201 CCCC(=O)CN1CC(C1)O 269982a_100000749847_100000747444 [0,1,0,1,0,0|2,0,0]=4 8944 B11R1.201 CCCC(=O)NC1CC(C1)F 11a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 8945 B11R1.201 CCCC(=O)NC1CC(C1)F 1626a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 8946 B11R1.201 CCCC(=O)NC1CC(C1)F 240690a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 8947 B11R1.201 CCCC(=O)NC1CC(C1)F 527a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 8948 B11R1.201 CCCC(=O)NC1CN(C1)C 240690a_100015196640_100000211992 [0,1,0,1,0,0|2,0,0]=4 8949 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 8950 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 8951 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 8952 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 8953 B11R1.201 CCNC(=O)CN1CC(C1)C 2230a_100000702820_100000183381 [0,1,0,1,0,0|2,0,0]=4 8954 B11R1.201 CCNC(=O)CN1CC(C1)C 269982a_100000702820_100000183381 [0,1,0,1,0,0|2,0,0]=4 8955 B11R1.201 CCNC(=O)CN1CC(C1)C 34a_100000702820_100000183381 [0,1,0,1,0,0|2,0,0]=4 8956 B11R1.201 CCNC(=O)CN1CC(C1)F 2230a_100000690557_100000183381 [0,1,0,1,0,0|2,0,0]=4 8957 B11R1.201 CCNC(=O)CN1CC(C1)F 269982a_100000690557_100000183381 [0,1,0,1,0,0|2,0,0]=4 8958 B11R1.201 CCNC(=O)CN1CC(C1)F 34a_100000690557_100000183381 [0,1,0,1,0,0|2,0,0]=4 8959 B11R1.201 CCNC(=O)CN1CC(C1)O 269982a_100000749847_100000183381 [0,1,0,1,0,0|2,0,0]=4 8960 B11R1.201 CCNC(=O)NC1CC(C1)F 2708a_100015525214_100016993743 [0,1,0,1,0,0|2,0,0]=4 8961 B11R1.201 CCNC(=O)NC1CC(C1)F 2708a_100016993743_100015525214 [0,1,0,1,0,0|2,0,0]=4 8962 B11R1.201 CCNC(=O)NC1CC(C1)F 273464a_100015525214_100016993743 [0,1,0,1,0,0|2,0,0]=4 8963 B11R1.201 CCNC(=O)NC1CC(C1)F 273464a_100016993743_100015525214 [0,1,0,1,0,0|2,0,0]=4 8964 B11R1.201 CCNC(=O)NC1CC(C1)F 512a_100015525214_100016993743 [0,1,0,1,0,0|2,0,0]=4 8965 B11R1.201 CCNC(=O)NC1CC(C1)F 512a_100016993743_100015525214 [0,1,0,1,0,0|2,0,0]=4 8966 B11R1.201 CCNC(=O)NC1CN(C1)C 2708a_100015196640_100015525214 [0,1,0,1,0,0|2,0,0]=4 8967 B11R1.201 CCNC(=O)NC1CN(C1)C 2708a_100015525214_100015196640 [0,1,0,1,0,0|2,0,0]=4 8968 B11R1.201 CCNC(=O)NC1CN(C1)C 273464a_100015196640_100015525214 [0,1,0,1,0,0|2,0,0]=4 8969 B11R1.201 CCNC(=O)NC1CN(C1)C 273464a_100015525214_100015196640 [0,1,0,1,0,0|2,0,0]=4 8970 B11R1.201 CCNC(=O)NC1CN(C1)C 512a_100015196640_100015525214 [0,1,0,1,0,0|2,0,0]=4 8971 B11R1.201 CCNC(=O)NC1CN(C1)C 512a_100015525214_100015196640 [0,1,0,1,0,0|2,0,0]=4 8972 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100015525214_100020629032 [0,1,0,1,0,0|2,0,0]=4 8973 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100015525214_100020629032 [0,1,0,1,0,0|2,0,0]=4 8974 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100015525214 [0,1,0,1,0,0|2,0,0]=4 8975 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100015525214_100020629032 [0,1,0,1,0,0|2,0,0]=4 8976 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100015525214 [0,1,0,1,0,0|2,0,0]=4 8977 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [0,1,0,1,0,0|1,0,0]=3 8978 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [0,1,0,1,0,0|1,0,0]=3 8979 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [0,1,0,1,0,0|1,0,0]=3 8980 B11R1.201 CCOC(=O)CN1CC(C1)F 2230a_100000690557_100000188475 [0,1,0,1,0,0|1,0,0]=3 8981 B11R1.201 CCOC(=O)CN1CC(C1)F 269982a_100000690557_100000188475 [0,1,0,1,0,0|1,0,0]=3 8982 B11R1.201 CCOC(=O)CN1CC(C1)F 34a_100000690557_100000188475 [0,1,0,1,0,0|1,0,0]=3 8983 B11R1.201 CCOC(=O)CN1CC(C1)O 269982a_100000749847_100000188475 [0,1,0,1,0,0|1,0,0]=3 8984 B11R1.334 CCCC(=O)CN(C)C1CC1 2230a_100000226674_100000747444 [0,1,0,1,0,0|2,0,0]=4 8985 B11R1.334 CCCC(=O)CN(C)C1CC1 269982a_100000226674_100000747444 [0,1,0,1,0,0|2,0,0]=4 8986 B11R1.334 CCCC(=O)NC(C)C1CC1 11a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 8987 B11R1.334 CCCC(=O)NC(C)C1CC1 1626a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 8988 B11R1.334 CCCC(=O)NC(C)C1CC1 240690a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 8989 B11R1.334 CCCC(=O)NC(C)C1CC1 527a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 8990 B11R1.334 CCCC(C)CC(=O)C1CC1 1458a_100000210395_100011216630 [0,1,0,1,0,0|1,0,0]=3 8991 B11R1.334 CCCC(C)CC(=O)C1CO1 1458a_100000701028_100011216630 [0,1,0,1,0,0|2,0,0]=4 8992 B11R1.334 CCCC(C)NC(=O)C1CC1 11a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 8993 B11R1.334 CCCC(C)NC(=O)C1CC1 1626a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 8994 B11R1.334 CCCC(C)NC(=O)C1CC1 240690a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 8995 B11R1.334 CCCC(C)NC(=O)C1CC1 527a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 8996 B11R1.334 CCCN(C)CC(=O)C1CC1 2230a_100000747261_100000746382 [0,1,0,1,0,0|2,0,0]=4 8997 B11R1.334 CCCN(C)CC(=O)C1CC1 269982a_100000747261_100000746382 [0,1,0,1,0,0|2,0,0]=4 8998 B11R1.334 CCNC(=O)CN(C)C1CC1 2230a_100000226674_100000183381 [0,1,0,1,0,0|2,0,0]=4 8999 B11R1.334 CCNC(=O)CN(C)C1CC1 269982a_100000226674_100000183381 [0,1,0,1,0,0|2,0,0]=4 9000 B11R1.334 CCNC(=O)CN(C)C1CC1 269982a_100000741943_100000211595 [0,1,0,1,0,0|2,0,0]=4 9001 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100000700016_100015525214 [0,1,0,1,0,0|2,0,0]=4 9002 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100015525214_100000700016 [0,1,0,1,0,0|2,0,0]=4 9003 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100000700016_100015525214 [0,1,0,1,0,0|2,0,0]=4 9004 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100015525214_100000700016 [0,1,0,1,0,0|2,0,0]=4 9005 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100000700016_100015525214 [0,1,0,1,0,0|2,0,0]=4 9006 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100015525214_100000700016 [0,1,0,1,0,0|2,0,0]=4 9007 B11R1.334 CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000188475 [0,1,0,1,0,0|1,0,1]=4 9008 B11R1.334 CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000188475 [0,1,0,1,0,0|1,0,1]=4 9009 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000220965_200000210301 [0,1,0,1,0,0|1,0,0]=3 9010 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000226674_100000188475 [0,1,0,1,0,0|1,0,0]=3 9011 B11R1.334 CCOC(=O)CN(C)C1CC1 269982a_100000226674_100000188475 [0,1,0,1,0,0|1,0,0]=3 9012 B11R1.334 CCOC(=O)CN([13CH3])C1CC1 2230a_100000220965_200025704644 [0,1,0,1,0,0|1,0,0]=3 9013 B11R1.334 CN(CCO)CC(=O)C1CC1 2230a_100000210263_100000746382 [0,1,0,1,0,0|2,0,0]=4 9014 B11R1.334 CN(CCO)CC(=O)C1CC1 269982a_100000210263_100000746382 [0,1,0,1,0,0|2,0,0]=4 9015 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 11a_100000764878_100000210395 [0,1,0,1,0,0|2,0,0]=4 9016 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 1626a_100000764878_100000210395 [0,1,0,1,0,0|2,0,0]=4 9017 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 240690a_100000764878_100000210395 [0,1,0,1,0,0|2,0,0]=4 9018 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 527a_100000764878_100000210395 [0,1,0,1,0,0|2,0,0]=4 9019 B11R1.334 C[C@H](CCO)NC(=O)C1CC1 240690a_100000706166_100000210395 [0,1,0,1,0,0|2,0,0]=4 9020 B11R1.334 C[C@H](CCO)NC(=O)C1CC1 527a_100000706166_100000210395 [0,1,0,1,0,0|2,0,0]=4 9021 B11R1.840 CC#CC(=O)CC1(CCC1)C 1458a_100000763181_100000726658 [0,1,0,1,0,0|1,0,1]=4 9022 B11R1.840 CC#CC(=O)CC1(COC1)C 1458a_100000763181_100000066812 [0,1,0,1,0,0|1,0,1]=4 9023 B11R1.840 CC1(CCC1)CC(=O)CCO 1458a_100011216618_100000726658 [0,1,0,1,0,0|2,0,0]=4 9024 B11R1.840 CC1(COC1)CC(=O)CCO 1458a_100011216618_100000066812 [0,1,0,1,0,0|2,0,0]=4 9025 B11R1.840 CC=CC(=O)CC1(CCC1)C 1458a_100000210699_100000726658 [0,1,0,1,0,0|1,0,1]=4 9026 B11R1.840 CC=CC(=O)CC1(COC1)C 1458a_100000210699_100000066812 [0,1,0,1,0,0|1,0,1]=4 9027 B11R1.840 CCCC(=O)CC1(CCC1)C 1458a_100000211992_100000726658 [0,1,0,1,0,0|1,0,0]=3 9028 B11R1.840 CCCC(=O)CC1(COC1)C 1458a_100000211992_100000066812 [0,1,0,1,0,0|1,0,0]=3 9029 B11R1.840 CCCC(=O)NC1(CCC1)C 11a_100000692455_100000211992 [0,1,0,1,0,0|2,0,0]=4 9030 B11R1.840 CCCC(=O)NC1(CCC1)C 1626a_100000692455_100000211992 [0,1,0,1,0,0|2,0,0]=4 9031 B11R1.840 CCCC(=O)NC1(CCC1)C 240690a_100000692455_100000211992 [0,1,0,1,0,0|2,0,0]=4 9032 B11R1.840 CCCC(=O)NC1(CCC1)C 527a_100000692455_100000211992 [0,1,0,1,0,0|2,0,0]=4 9033 B11R1.840 CCCC(=O)NC1(COC1)C 11a_100000732644_100000211992 [0,1,0,1,0,0|2,0,0]=4 9034 B11R1.840 CCCC(=O)NC1(COC1)C 1626a_100000732644_100000211992 [0,1,0,1,0,0|2,0,0]=4 9035 B11R1.840 CCCC(=O)NC1(COC1)C 527a_100000732644_100000211992 [0,1,0,1,0,0|2,0,0]=4 9036 B11R1.840 CCNC(=O)NC1(CCC1)C 2708a_100015525214_100000692455 [0,1,0,1,0,0|2,0,0]=4 9037 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100000692455_100015525214 [0,1,0,1,0,0|2,0,0]=4 9038 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100015525214_100000692455 [0,1,0,1,0,0|2,0,0]=4 9039 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100000692455_100015525214 [0,1,0,1,0,0|2,0,0]=4 9040 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100015525214_100000692455 [0,1,0,1,0,0|2,0,0]=4 9041 B11R1.840 CCNC(=O)NC1(COC1)C 2708a_100015525214_100000732644 [0,1,0,1,0,0|2,0,0]=4 9042 B11R1.840 CCNC(=O)NC1(COC1)C 273464a_100000732644_100015525214 [0,1,0,1,0,0|2,0,0]=4 9043 B11R1.840 CCNC(=O)NC1(COC1)C 273464a_100015525214_100000732644 [0,1,0,1,0,0|2,0,0]=4 9044 B11R1.840 CCNC(=O)NC1(COC1)C 512a_100000732644_100015525214 [0,1,0,1,0,0|2,0,0]=4 9045 B11R1.840 CCNC(=O)NC1(COC1)C 512a_100015525214_100000732644 [0,1,0,1,0,0|2,0,0]=4 9046 B11R1.840 COCC(=O)CC1(CCC1)C 1458a_100000210968_100000726658 [0,1,0,1,0,0|2,0,0]=4 9047 B11R1.840 COCC(=O)CC1(COC1)C 1458a_100000210968_100000066812 [0,1,0,1,0,0|2,0,0]=4 9048 B11R1.840 CSCC(=O)CC1(CCC1)C 1458a_100000184570_100000726658 [0,1,0,1,0,0|2,0,0]=4 9049 B11R1.840 CSCC(=O)CC1(COC1)C 1458a_100000184570_100000066812 [0,1,0,1,0,0|2,0,0]=4 9050 B11R1.342 CCOC1CCCC(C1)(C)C 7a_100011995757_100000210202 [0,1,0,1,0,0|1,0,1]=4 9051 B11R1.626 CCC(C)(C)NC(=O)C1CC1 11a_100000211385_100000210395 [0,1,0,1,0,0|2,0,0]=4 9052 B11R1.626 CCC(C)(C)NC(=O)C1CC1 1626a_100000211385_100000210395 [0,1,0,1,0,0|2,0,0]=4 9053 B11R1.626 CCC(C)(C)NC(=O)C1CC1 240690a_100000211385_100000210395 [0,1,0,1,0,0|2,0,0]=4 9054 B11R1.626 CCC(C)(C)NC(=O)C1CC1 527a_100000211385_100000210395 [0,1,0,1,0,0|2,0,0]=4 9055 B11R1.1004 CC#CC(=O)CC1(CO1)CC 1458a_100000763181_200000139556 [0,1,0,1,0,0|1,0,1]=4 9056 B11R1.1004 CC=CC(=O)CC1(CO1)CC 1458a_100000210699_200000139556 [0,1,0,1,0,0|1,0,1]=4 9057 B11R1.1004 CCC1(CO1)CC(=O)CCO 1458a_100011216618_200000139556 [0,1,0,1,0,0|2,0,0]=4 9058 B11R1.1004 CCC1(CO1)CC(=O)COC 1458a_100000210968_200000139556 [0,1,0,1,0,0|2,0,0]=4 9059 B11R1.1004 CCC1(CO1)CC(=O)CSC 1458a_100000184570_200000139556 [0,1,0,1,0,0|2,0,0]=4 9060 B11R1.1004 CCCC(=O)CC1(CC1)C#N 1458a_100000211992_100000695377 [0,1,0,1,0,0|1,0,1]=4 9061 B11R1.1004 CCCC(=O)CC1(CO1)CC 1458a_100000211992_200000139556 [0,1,0,1,0,0|1,0,0]=3 9062 B11R1.1004 CCCC(=O)NC1(CC1)CC 11a_100000732774_100000211992 [0,1,0,1,0,0|2,0,0]=4 9063 B11R1.1004 CCCC(=O)NC1(CC1)CC 1626a_100000732774_100000211992 [0,1,0,1,0,0|2,0,0]=4 9064 B11R1.1004 CCCC(=O)NC1(CC1)CC 240690a_100000732774_100000211992 [0,1,0,1,0,0|2,0,0]=4 9065 B11R1.1004 CCCC(=O)NC1(CC1)CC 527a_100000732774_100000211992 [0,1,0,1,0,0|2,0,0]=4 9066 B11R1.1004 CCCC(=O)NC1(CC1)CF 11a_100000054953_100000211992 [0,1,0,1,0,0|2,0,0]=4 9067 B11R1.1004 CCCC(=O)NC1(CC1)CF 1626a_100000054953_100000211992 [0,1,0,1,0,0|2,0,0]=4 9068 B11R1.1004 CCCC(=O)NC1(CC1)CF 240690a_100000054953_100000211992 [0,1,0,1,0,0|2,0,0]=4 9069 B11R1.1004 CCCC(=O)NC1(CC1)CF 527a_100000054953_100000211992 [0,1,0,1,0,0|2,0,0]=4 9070 B11R1.1004 CCCC(=O)NC1(CC1)CO 240690a_100000692850_100000211992 [0,1,0,1,0,0|2,0,0]=4 9071 B11R1.1004 CCCC(=O)NC1(CC1)CO 527a_100000692850_100000211992 [0,1,0,1,0,0|2,0,0]=4 9072 B11R1.1004 CCNC(=O)NC1(CC1)CC 2708a_100015525214_100000732774 [0,1,0,1,0,0|2,0,0]=4 9073 B11R1.1004 CCNC(=O)NC1(CC1)CC 273464a_100000732774_100015525214 [0,1,0,1,0,0|2,0,0]=4 9074 B11R1.1004 CCNC(=O)NC1(CC1)CC 273464a_100015525214_100000732774 [0,1,0,1,0,0|2,0,0]=4 9075 B11R1.1004 CCNC(=O)NC1(CC1)CC 512a_100000732774_100015525214 [0,1,0,1,0,0|2,0,0]=4 9076 B11R1.1004 CCNC(=O)NC1(CC1)CF 2708a_100015525214_100000054953 [0,1,0,1,0,0|2,0,0]=4 9077 B11R1.1004 CCNC(=O)NC1(CC1)CF 273464a_100000054953_100015525214 [0,1,0,1,0,0|2,0,0]=4 9078 B11R1.1004 CCNC(=O)NC1(CC1)CF 273464a_100015525214_100000054953 [0,1,0,1,0,0|2,0,0]=4 9079 B11R1.1004 CCNC(=O)NC1(CC1)CF 512a_100000054953_100015525214 [0,1,0,1,0,0|2,0,0]=4 9080 B11R1.1004 CCNC(=O)NC1(CC1)CF 512a_100015525214_100000054953 [0,1,0,1,0,0|2,0,0]=4 9081 B11R1.1004 CCNC(=O)NC1(CC1)CO 2708a_100015525214_100000692850 [0,1,0,1,0,0|2,0,0]=4 9082 B11R1.1004 CCNC(=O)NC1(CC1)CO 273464a_100000692850_100015525214 [0,1,0,1,0,0|2,0,0]=4 9083 B11R1.1004 CCNC(=O)NC1(CC1)CO 273464a_100015525214_100000692850 [0,1,0,1,0,0|2,0,0]=4 9084 B11R1.24 CC1CCCC(C1)OCCF 34a_100000211399_100011217306 [0,1,0,1,0,0|1,0,1]=4 9085 B11R1.24 CC1CCCC(C1)OCCO 34a_100000211399_100000211926 [0,1,0,1,0,0|1,0,1]=4 9086 B11R1.24 CCCOC1CCCC(C1)C 34a_100000211399_100000210303 [0,1,0,1,0,0|1,0,1]=4 9087 B11R1.24 CCNN=C1CCCC(C1)C 4a_100000756455_100000183594 [0,1,0,1,0,0|2,0,0]=4 9088 B11R1.24 CCOCN1CCC[C@@H](C1)C 269982a_100000717927_100000739092 [0,1,0,1,0,0|2,0,0]=4 9089 B11R1.24 CSCOC1CCCC(C1)C 34a_100000211399_100011218213 [0,1,0,1,0,0|1,0,1]=4 9090 B11R1.39 CCC(C)Cc1nc(no1)C 270196a_100000212224_100000708755 [0,1,0,1,0,0|1,0,1]=4 9091 B11R1.40 CCC(C)CN1CCCOC1 2230a_100000131196_100000748023 [0,1,0,1,0,0|2,0,0]=4 9092 B11R1.40 CCC(C)CN1CCCOC1 269982a_100000131196_100000748023 [0,1,0,1,0,0|2,0,0]=4 9093 B11R1.40 CCC(C)CN1CCCOC1 270004a_100000131196_100000243153 [0,1,0,1,0,0|2,0,0]=4 9094 B11R1.40 CCC(C)CN1CCCOC1 34a_100000131196_100000748023 [0,1,0,1,0,0|2,0,0]=4 9095 B11R1.40 CC[C@H](C)CN1CCCOC1 2230a_100000131196_100009816398 [0,1,0,1,0,0|2,0,0]=4 9096 B11R1.40 CC[C@H](C)CN1CCCOC1 269982a_100000131196_100009816398 [0,1,0,1,0,0|2,0,0]=4 9097 B11R1.40 CC[C@H](C)CN1CCCOC1 34a_100000131196_100009816398 [0,1,0,1,0,0|2,0,0]=4 9098 B11R1.81 CCOC1CCC(CC1C)C 34a_100011539931_100000210202 [0,1,0,1,0,0|1,0,1]=4 9099 B11R1.81 CCOC1CCC(CC1C)C 7a_100011539931_100000210202 [0,1,0,1,0,0|1,0,1]=4 9100 B11R1.185 CCCN1CC(CC1=O)NC 2230a_100015185084_200000210301 [0,1,0,1,0,0|2,0,0]=4 9101 B11R1.185 CCCN1CC(CC1=O)NC 34a_100015185084_200000210301 [0,1,0,1,0,0|2,0,0]=4 9102 B11R1.185 CCCN1CC(CC1=O)N[13CH3] 2230a_100015185084_200025704644 [0,1,0,1,0,0|2,0,0]=4 9103 B11R1.185 CCCN1CC(CC1=O)N[13CH3] 34a_100015185084_200025704644 [0,1,0,1,0,0|2,0,0]=4 9104 B11R1.196 CCC(=O)CC(=O)C1CCO1 1458a_100000089072_100000747405 [0,1,0,1,0,0|1,0,1]=4 9105 B11R1.196 CCC(C)CC(=O)C1CCC1 1458a_100000209988_100000748023 [0,1,0,1,0,0|1,0,0]=3 9106 B11R1.196 CCC(C)CC(=O)C1CCC1 1458a_100000708755_100000749161 [0,1,0,1,0,0|1,0,0]=3 9107 B11R1.196 CCC(C)CC(=O)C1CCO1 1458a_100000089072_100000748023 [0,1,0,1,0,0|0,0,0]=2 9108 B11R1.196 CCC(C)CC(=O)C1COC1 1458a_100000708755_100000687716 [0,1,0,1,0,0|1,0,0]=3 9109 B11R1.196 CCC(C)CC(=O)C1COC1 1458a_100000758290_100000748023 [0,1,0,1,0,0|1,0,0]=3 9110 B11R1.196 CCC(C)CC(=O)N1CCC1 11a_100000754969_100000708755 [0,1,0,1,0,0|1,0,0]=3 9111 B11R1.196 CCC(C)CC(=O)N1CCC1 240690a_100000754969_100000708755 [0,1,0,1,0,0|1,0,0]=3 9112 B11R1.196 CCC(C)CC(=O)N1CCC1 527a_100000754969_100000708755 [0,1,0,1,0,0|1,0,0]=3 9113 B11R1.196 CCC(C)NC(=O)C1CCC1 11a_100000209981_100000209988 [0,1,0,1,0,0|2,0,0]=4 9114 B11R1.196 CCC(C)NC(=O)C1CCC1 1626a_100000209981_100000209988 [0,1,0,1,0,0|2,0,0]=4 9115 B11R1.196 CCC(C)NC(=O)C1CCC1 240690a_100000209981_100000209988 [0,1,0,1,0,0|2,0,0]=4 9116 B11R1.196 CCC(C)NC(=O)C1CCC1 527a_100000209981_100000209988 [0,1,0,1,0,0|2,0,0]=4 9117 B11R1.196 CCC(C)NC(=O)C1CCO1 11a_100000209981_100000089072 [0,1,0,1,0,0|1,0,0]=3 9118 B11R1.196 CCC(C)NC(=O)C1CCO1 1626a_100000209981_100000089072 [0,1,0,1,0,0|1,0,0]=3 9119 B11R1.196 CCC(C)NC(=O)C1CCO1 240690a_100000209981_100000089072 [0,1,0,1,0,0|1,0,0]=3 9120 B11R1.196 CCC(C)NC(=O)C1CCO1 527a_100000209981_100000089072 [0,1,0,1,0,0|1,0,0]=3 9121 B11R1.196 CCC(C)NC(=O)C1COC1 11a_100000209981_100000758290 [0,1,0,1,0,0|2,0,0]=4 9122 B11R1.196 CCC(C)NC(=O)C1COC1 1626a_100000209981_100000758290 [0,1,0,1,0,0|2,0,0]=4 9123 B11R1.196 CCC(C)NC(=O)C1COC1 240690a_100000209981_100000758290 [0,1,0,1,0,0|2,0,0]=4 9124 B11R1.196 CCC(C)NC(=O)C1COC1 527a_100000209981_100000758290 [0,1,0,1,0,0|2,0,0]=4 9125 B11R1.196 CCC(C)NC(=O)N1CCC1 2708a_100000209981_100000754969 [0,1,0,1,0,0|2,0,0]=4 9126 B11R1.196 CCC(C)NC(=O)N1CCC1 273464a_100000209981_100000754969 [0,1,0,1,0,0|2,0,0]=4 9127 B11R1.196 CCC(O)CC(=O)C1CCC1 1458a_100000209988_100011218378 [0,1,0,1,0,0|2,0,0]=4 9128 B11R1.196 CCC(O)CC(=O)C1CCC1 1458a_100011667805_100000749161 [0,1,0,1,0,0|2,0,0]=4 9129 B11R1.196 CCC(O)CC(=O)C1CCO1 1458a_100000089072_100011218378 [0,1,0,1,0,0|1,0,0]=3 9130 B11R1.196 CCC(O)CC(=O)C1COC1 1458a_100000758290_100011218378 [0,1,0,1,0,0|2,0,0]=4 9131 B11R1.196 CCC(O)CC(=O)C1COC1 1458a_100011667805_100000687716 [0,1,0,1,0,0|2,0,0]=4 9132 B11R1.196 CCC(O)CC(=O)N1CCC1 240690a_100000754969_100011667805 [0,1,0,1,0,0|2,0,0]=4 9133 B11R1.196 CCN(C)CC(=O)C1CCC1 1458a_100116209913_100000749161 [0,1,0,1,0,0|2,0,0]=4 9134 B11R1.196 CCN(C)CC(=O)C1CCC1 2230a_100000225621_100000686122 [0,1,0,1,0,0|2,0,0]=4 9135 B11R1.196 CCN(C)CC(=O)C1CCC1 269982a_100000225621_100000686122 [0,1,0,1,0,0|2,0,0]=4 9136 B11R1.196 CCN(C)CC(=O)C1COC1 1458a_100116209913_100000687716 [0,1,0,1,0,0|2,0,0]=4 9137 B11R1.196 CCN(C)CC(=O)N1CCC1 2230a_100000225621_100000185095 [0,1,0,1,0,0|2,0,0]=4 9138 B11R1.196 CCN(C)CC(=O)N1CCC1 240690a_100000754969_100116209913 [0,1,0,1,0,0|2,0,0]=4 9139 B11R1.196 CCN(C)CC(=O)N1CCC1 269982a_100000225621_100000185095 [0,1,0,1,0,0|2,0,0]=4 9140 B11R1.196 CCN(C)CC(=O)N1CCC1 527a_100000754969_100116209913 [0,1,0,1,0,0|2,0,0]=4 9141 B11R1.196 CC[C@H](C)CC(=O)C1CCC1 1458a_100000209988_100009816398 [0,1,0,1,0,0|1,0,0]=3 9142 B11R1.196 CC[C@H](C)CC(=O)C1CCO1 1458a_100000089072_100009816398 [0,1,0,1,0,0|0,0,0]=2 9143 B11R1.196 CC[C@H](C)CC(=O)C1COC1 1458a_100000758290_100009816398 [0,1,0,1,0,0|1,0,0]=3 9144 B11R1.196 C[C@@H](CO)CC(=O)C1CCC1 1458a_100000209988_100000059175 [0,1,0,1,0,0|2,0,0]=4 9145 B11R1.196 C[C@@H](CO)CC(=O)C1CCO1 1458a_100000089072_100000059175 [0,1,0,1,0,0|1,0,0]=3 9146 B11R1.196 C[C@@H](CO)CC(=O)C1COC1 1458a_100000758290_100000059175 [0,1,0,1,0,0|2,0,0]=4 9147 B11R1.196 C[C@H](CF)NC(=O)C1CCO1 11a_100102880703_100000089072 [0,1,0,1,0,0|2,0,0]=4 9148 B11R1.196 C[C@H](CF)NC(=O)C1CCO1 1626a_100102880703_100000089072 [0,1,0,1,0,0|2,0,0]=4 9149 B11R1.196 C[C@H](CF)NC(=O)C1CCO1 240690a_100102880703_100000089072 [0,1,0,1,0,0|2,0,0]=4 9150 B11R1.196 C[C@H](CF)NC(=O)C1CCO1 527a_100102880703_100000089072 [0,1,0,1,0,0|2,0,0]=4 9151 B11R1.196 C[C@H](CO)NC(=O)C1CCO1 240690a_100000737577_100000089072 [0,1,0,1,0,0|2,0,0]=4 9152 B11R1.196 C[C@H](CO)NC(=O)C1CCO1 527a_100000737577_100000089072 [0,1,0,1,0,0|2,0,0]=4 9153 B11R1.198 CCC(C)CC(=O)CC1CC1 1458a_100000708755_100000742324 [0,1,0,1,0,0|1,0,0]=3 9154 B11R1.198 CCC(C)CC(=O)CC1CC1 1458a_100000738066_100000748023 [0,1,0,1,0,0|1,0,0]=3 9155 B11R1.198 CCC(C)CC(=O)CC1CO1 1458a_100000708755_100011216344 [0,1,0,1,0,0|1,0,0]=3 9156 B11R1.198 CCC(C)CC(=O)CC1CS1 1458a_100000708755_100000031435 [0,1,0,1,0,0|1,0,0]=3 9157 B11R1.198 CCC(C)CC(=O)C[C@@H]1CO1 1458a_100000708755_100000745022 [0,1,0,1,0,0|1,0,0]=3 9158 B11R1.198 CCC(C)CC(=O)NC1CC1 1626a_100000212008_100000708755 [0,1,0,1,0,0|1,0,0]=3 9159 B11R1.198 CCC(C)CC(=O)NC1CC1 240690a_100000212008_100000708755 [0,1,0,1,0,0|1,0,0]=3 9160 B11R1.198 CCC(C)CC(=O)NC1CC1 527a_100000212008_100000708755 [0,1,0,1,0,0|1,0,0]=3 9161 B11R1.198 CCC(C)NC(=O)CC1CC1 11a_100000209981_100000738066 [0,1,0,1,0,0|2,0,0]=4 9162 B11R1.198 CCC(C)NC(=O)CC1CC1 1626a_100000209981_100000738066 [0,1,0,1,0,0|2,0,0]=4 9163 B11R1.198 CCC(C)NC(=O)CC1CC1 240690a_100000209981_100000738066 [0,1,0,1,0,0|2,0,0]=4 9164 B11R1.198 CCC(C)NC(=O)CC1CC1 527a_100000209981_100000738066 [0,1,0,1,0,0|2,0,0]=4 9165 B11R1.198 CCC(C)NC(=O)NC1CC1 2708a_100000209981_100000212008 [0,1,0,1,0,0|2,0,0]=4 9166 B11R1.198 CCC(C)NC(=O)NC1CC1 2708a_100000212008_100000209981 [0,1,0,1,0,0|2,0,0]=4 9167 B11R1.198 CCC(C)NC(=O)NC1CC1 273464a_100000209981_100000212008 [0,1,0,1,0,0|2,0,0]=4 9168 B11R1.198 CCC(C)NC(=O)NC1CC1 273464a_100000212008_100000209981 [0,1,0,1,0,0|2,0,0]=4 9169 B11R1.198 CCC(C)NC(=O)NC1CC1 512a_100000212008_100000209981 [0,1,0,1,0,0|2,0,0]=4 9170 B11R1.198 CCC(O)CC(=O)CC1CC1 1458a_100000738066_100011218378 [0,1,0,1,0,0|2,0,0]=4 9171 B11R1.198 CCC(O)CC(=O)CC1CC1 1458a_100011667805_100000742324 [0,1,0,1,0,0|2,0,0]=4 9172 B11R1.198 CCC(O)CC(=O)CC1CO1 1458a_100011667805_100011216344 [0,1,0,1,0,0|2,0,0]=4 9173 B11R1.198 CCC(O)CC(=O)CC1CS1 1458a_100011667805_100000031435 [0,1,0,1,0,0|2,0,0]=4 9174 B11R1.198 CCC(O)CC(=O)C[C@@H]1CO1 1458a_100011667805_100000745022 [0,1,0,1,0,0|2,0,0]=4 9175 B11R1.198 CCC(O)CC(=O)NC1CC1 1626a_100000212008_100011667805 [0,1,0,1,0,0|2,0,0]=4 9176 B11R1.198 CCC(O)CC(=O)NC1CC1 240690a_100000212008_100011667805 [0,1,0,1,0,0|2,0,0]=4 9177 B11R1.198 CCN(C)CC(=O)CC1CC1 1458a_100116209913_100000742324 [0,1,0,1,0,0|2,0,0]=4 9178 B11R1.198 CCN(C)CC(=O)CC1CO1 1458a_100116209913_100011216344 [0,1,0,1,0,0|2,0,0]=4 9179 B11R1.198 CCN(C)CC(=O)CC1CS1 1458a_100116209913_100000031435 [0,1,0,1,0,0|2,0,0]=4 9180 B11R1.198 CCN(C)CC(=O)C[C@@H]1CO1 1458a_100116209913_100000745022 [0,1,0,1,0,0|2,0,0]=4 9181 B11R1.198 CCN(C)CC(=O)NC1CC1 2230a_100000225621_100000182950 [0,1,0,1,0,0|2,0,0]=4 9182 B11R1.198 CCN(C)CC(=O)NC1CC1 240690a_100000212008_100116209913 [0,1,0,1,0,0|2,0,0]=4 9183 B11R1.198 CCN(C)CC(=O)NC1CC1 269982a_100000225621_100000182950 [0,1,0,1,0,0|2,0,0]=4 9184 B11R1.198 CCN(C)CC(=O)NC1CC1 527a_100000212008_100116209913 [0,1,0,1,0,0|2,0,0]=4 9185 B11R1.198 CC[C@H](C)CC(=O)CC1CC1 1458a_100000738066_100009816398 [0,1,0,1,0,0|1,0,0]=3 9186 B11R1.198 C[C@@H](CO)CC(=O)CC1CC1 1458a_100000738066_100000059175 [0,1,0,1,0,0|2,0,0]=4 9187 B11R1.214 CCNN=C1CCC(C1)CC 4a_100000756455_100011218773 [0,1,0,1,0,0|2,0,0]=4 9188 B11R1.222 CCN(C)C1CCCCC1=O 269982a_100000225621_100000204591 [0,1,0,1,0,0|2,0,0]=4 9189 B11R1.222 CCN(C)C1CCCNC1=O 2230a_100000225621_100000687798 [0,1,0,1,0,0|2,0,0]=4 9190 B11R1.222 CCN(C)C1CCCNC1=O 269982a_100000225621_100000687798 [0,1,0,1,0,0|2,0,0]=4 9191 B11R1.282 C#CCCC(=O)C1CC1CC 1458a_200011661523_100000753159 [0,1,0,1,0,0|1,0,1]=4 9192 B11R1.282 C#CCNC(=O)C1CC1CC 11a_100000212058_200011661523 [0,1,0,1,0,0|1,0,1]=4 9193 B11R1.282 C#CCNC(=O)C1CC1CC 1626a_100000212058_200011661523 [0,1,0,1,0,0|1,0,1]=4 9194 B11R1.282 C#CCNC(=O)C1CC1CC 240690a_100000212058_200011661523 [0,1,0,1,0,0|1,0,1]=4 9195 B11R1.282 C#CCNC(=O)C1CC1CC 527a_100000212058_200011661523 [0,1,0,1,0,0|1,0,1]=4 9196 B11R1.282 C/C=C/CC(=O)C1CC1CC 1458a_200011661523_100102629194 [0,1,0,1,0,0|1,0,1]=4 9197 B11R1.282 C=CCCC(=O)C1CC1CC 1458a_200011661523_100000754431 [0,1,0,1,0,0|1,0,1]=4 9198 B11R1.282 C=CCNC(=O)C1CC1CC 1626a_100020586998_200011661523 [0,1,0,1,0,0|1,0,1]=4 9199 B11R1.282 C=CCNC(=O)C1CC1CC 240690a_100020586998_200011661523 [0,1,0,1,0,0|1,0,1]=4 9200 B11R1.282 C=CCNC(=O)C1CC1CC 527a_100020586998_200011661523 [0,1,0,1,0,0|1,0,1]=4 9201 B11R1.282 CC#CCC(=O)C1CC1CC 1458a_200011661523_100000748600 [0,1,0,1,0,0|1,0,1]=4 9202 B11R1.282 CC=CCC(=O)C1CC1CC 1458a_200011661523_100000070051 [0,1,0,1,0,0|1,0,1]=4 9203 B11R1.282 CCC1CC1C(=O)CCC#N 1458a_200011661523_100011215226 [0,1,0,1,0,0|1,0,1]=4 9204 B11R1.282 CCC1CC1C(=O)CCCF 1458a_200011661523_100011934791 [0,1,0,1,0,0|1,0,0]=3 9205 B11R1.282 CCC1CC1C(=O)CCCO 1458a_200011661523_100011215043 [0,1,0,1,0,0|1,0,0]=3 9206 B11R1.282 CCC1CC1C(=O)CCOC 1458a_200011661523_100000233755 [0,1,0,1,0,0|1,0,0]=3 9207 B11R1.282 CCC1CC1C(=O)CCSC 1458a_200011661523_100000751147 [0,1,0,1,0,0|1,0,0]=3 9208 B11R1.282 CCC1CC1C(=O)NCC#N 1626a_100000734998_200011661523 [0,1,0,1,0,0|1,0,1]=4 9209 B11R1.282 CCC1CC1C(=O)NCC#N 527a_100000734998_200011661523 [0,1,0,1,0,0|1,0,1]=4 9210 B11R1.282 CCC1CC1C(=O)NCCF 11a_100000724931_200011661523 [0,1,0,1,0,0|1,0,0]=3 9211 B11R1.282 CCC1CC1C(=O)NCCF 1626a_100000724931_200011661523 [0,1,0,1,0,0|1,0,0]=3 9212 B11R1.282 CCC1CC1C(=O)NCCF 240690a_100000724931_200011661523 [0,1,0,1,0,0|1,0,0]=3 9213 B11R1.282 CCC1CC1C(=O)NCCF 527a_100000724931_200011661523 [0,1,0,1,0,0|1,0,0]=3 9214 B11R1.282 CCC1CC1C(=O)NCCO 240690a_100000210304_200011661523 [0,1,0,1,0,0|1,0,0]=3 9215 B11R1.282 CCC1CC1C(=O)NCCO 527a_100000210304_200011661523 [0,1,0,1,0,0|1,0,0]=3 9216 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [0,1,0,1,0,0|1,0,0]=3 9217 B11R1.282 CCCNC(=O)C1CC1CC 11a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 9218 B11R1.282 CCCNC(=O)C1CC1CC 1626a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 9219 B11R1.282 CCCNC(=O)C1CC1CC 240690a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 9220 B11R1.282 CCCNC(=O)C1CC1CC 527a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 9221 B11R1.282 CCNNC(=O)C1CC1CC 22a_100000756455_200011661523 [0,1,0,1,0,0|1,0,0]=3 9222 B11R1.283 CCOCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211967 [0,1,0,1,0,0|2,0,0]=4 9223 B11R1.283 CCOCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211967 [0,1,0,1,0,0|2,0,0]=4 9224 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 9225 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 9226 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 9227 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 9228 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000692101_100000763275 [0,1,0,1,0,0|1,0,1]=4 9229 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000763092_100000753159 [0,1,0,1,0,0|1,0,1]=4 9230 B11R1.284 C#CCNC(=O)CC1CCC1 11a_100000212058_100000763092 [0,1,0,1,0,0|1,0,1]=4 9231 B11R1.284 C#CCNC(=O)CC1CCC1 1626a_100000212058_100000763092 [0,1,0,1,0,0|1,0,1]=4 9232 B11R1.284 C#CCNC(=O)CC1CCC1 240690a_100000212058_100000763092 [0,1,0,1,0,0|1,0,1]=4 9233 B11R1.284 C#CCNC(=O)CC1CCC1 527a_100000212058_100000763092 [0,1,0,1,0,0|1,0,1]=4 9234 B11R1.284 C/C=C/CC(=O)CC1CCC1 1458a_100000763092_100102629194 [0,1,0,1,0,0|1,0,1]=4 9235 B11R1.284 C=C(CN1CCC1)OCOC 269982a_100000754969_100000042856 [0,1,0,1,0,0|2,0,0]=4 9236 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000749702_100000763275 [0,1,0,1,0,0|1,0,1]=4 9237 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000763092_100000754431 [0,1,0,1,0,0|1,0,1]=4 9238 B11R1.284 C=CCNC(=O)CC1CCC1 1626a_100020586998_100000763092 [0,1,0,1,0,0|1,0,1]=4 9239 B11R1.284 C=CCNC(=O)CC1CCC1 240690a_100020586998_100000763092 [0,1,0,1,0,0|1,0,1]=4 9240 B11R1.284 C=CCNC(=O)CC1CCC1 527a_100020586998_100000763092 [0,1,0,1,0,0|1,0,1]=4 9241 B11R1.284 C=CCOC(=O)CN1CCC1 269982a_100000754969_100000033060 [0,1,0,1,0,0|1,0,1]=4 9242 B11R1.284 CC#CCC(=O)CC1CCC1 1458a_100000763092_100000748600 [0,1,0,1,0,0|1,0,1]=4 9243 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100000763092_100000070051 [0,1,0,1,0,0|1,0,1]=4 9244 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100121576822_100000763275 [0,1,0,1,0,0|1,0,1]=4 9245 B11R1.284 CCC#CC(=O)CC1CCC1 1458a_100011827653_100000763275 [0,1,0,1,0,0|1,0,0]=3 9246 B11R1.284 CCC#CC(=O)CC1CCO1 1458a_100011827653_100000103362 [0,1,0,1,0,0|2,0,0]=4 9247 B11R1.284 CCC#CC(=O)CC1COC1 1458a_100011827653_100010264016 [0,1,0,1,0,0|2,0,0]=4 9248 B11R1.284 CCC=CC(=O)CC1CCC1 1458a_100000212282_100000763275 [0,1,0,1,0,0|1,0,0]=3 9249 B11R1.284 CCC=CC(=O)CC1CCO1 1458a_100000212282_100000103362 [0,1,0,1,0,0|2,0,0]=4 9250 B11R1.284 CCC=CC(=O)CC1COC1 1458a_100000212282_100010264016 [0,1,0,1,0,0|2,0,0]=4 9251 B11R1.284 CCC=CC(=O)NC1CCC1 11a_100000749019_100000212282 [0,1,0,1,0,0|2,0,0]=4 9252 B11R1.284 CCC=CC(=O)NC1CCC1 1626a_100000749019_100000212282 [0,1,0,1,0,0|2,0,0]=4 9253 B11R1.284 CCC=CC(=O)NC1CCC1 240690a_100000749019_100000212282 [0,1,0,1,0,0|2,0,0]=4 9254 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000210183_100000763275 [0,1,0,1,0,0|1,0,0]=3 9255 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000763092_100000210211 [0,1,0,1,0,0|1,0,0]=3 9256 B11R1.284 CCCCC(=O)CC1CCO1 1458a_100000210183_100000103362 [0,1,0,1,0,0|2,0,0]=4 9257 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000210183_100010264016 [0,1,0,1,0,0|2,0,0]=4 9258 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000687760_100000210211 [0,1,0,1,0,0|2,0,0]=4 9259 B11R1.284 CCCCC(=O)NC1CCC1 11a_100000749019_100000210183 [0,1,0,1,0,0|2,0,0]=4 9260 B11R1.284 CCCCC(=O)NC1CCC1 1626a_100000749019_100000210183 [0,1,0,1,0,0|2,0,0]=4 9261 B11R1.284 CCCCC(=O)NC1CCC1 240690a_100000749019_100000210183 [0,1,0,1,0,0|2,0,0]=4 9262 B11R1.284 CCCCC(=O)NC1CCC1 527a_100000749019_100000210183 [0,1,0,1,0,0|2,0,0]=4 9263 B11R1.284 CCCNC(=O)CC1CCC1 11a_100020643023_100000763092 [0,1,0,1,0,0|1,0,0]=3 9264 B11R1.284 CCCNC(=O)CC1CCC1 1626a_100020643023_100000763092 [0,1,0,1,0,0|1,0,0]=3 9265 B11R1.284 CCCNC(=O)CC1CCC1 240690a_100020643023_100000763092 [0,1,0,1,0,0|1,0,0]=3 9266 B11R1.284 CCCNC(=O)CC1CCC1 527a_100020643023_100000763092 [0,1,0,1,0,0|1,0,0]=3 9267 B11R1.284 CCCNC(=O)CC1COC1 11a_100020643023_100000687760 [0,1,0,1,0,0|2,0,0]=4 9268 B11R1.284 CCCNC(=O)CC1COC1 1626a_100020643023_100000687760 [0,1,0,1,0,0|2,0,0]=4 9269 B11R1.284 CCCNC(=O)CN1CCC1 269982a_100000754969_100000183358 [0,1,0,1,0,0|2,0,0]=4 9270 B11R1.284 CCCNC(=O)NC1CCC1 2708a_100020643023_100000749019 [0,1,0,1,0,0|2,0,0]=4 9271 B11R1.284 CCCNC(=O)NC1CCC1 273464a_100000749019_100020643023 [0,1,0,1,0,0|2,0,0]=4 9272 B11R1.284 CCCNC(=O)NC1CCC1 273464a_100020643023_100000749019 [0,1,0,1,0,0|2,0,0]=4 9273 B11R1.284 CCCNC(=O)NC1CCC1 512a_100000749019_100020643023 [0,1,0,1,0,0|2,0,0]=4 9274 B11R1.284 CCCNC(=O)NC1CCC1 512a_100020643023_100000749019 [0,1,0,1,0,0|2,0,0]=4 9275 B11R1.284 CCCOC(=O)CN1CCC1 269982a_100000754969_200011215008 [0,1,0,1,0,0|1,0,0]=3 9276 B11R1.284 CCNNC(=O)CC1CCC1 22a_100000756455_100000763092 [0,1,0,1,0,0|1,0,0]=3 9277 B11R1.284 CCNNC(=O)CC1COC1 22a_100000756455_100000687760 [0,1,0,1,0,0|2,0,0]=4 9278 B11R1.284 CCNNC(=O)NC1CCC1 273464a_100000749019_100000756455 [0,1,0,1,0,0|2,0,0]=4 9279 B11R1.284 CCNNC(=O)NC1CCC1 512a_100000749019_100000756455 [0,1,0,1,0,0|2,0,0]=4 9280 B11R1.284 CCNNC(=O)NC1CCC1 512a_100000756455_100000749019 [0,1,0,1,0,0|2,0,0]=4 9281 B11R1.284 CCOCC(=O)CC1CCC1 1458a_100000211967_100000763275 [0,1,0,1,0,0|0,0,0]=2 9282 B11R1.284 CCOCC(=O)CC1CCO1 1458a_100000211967_100000103362 [0,1,0,1,0,0|1,0,0]=3 9283 B11R1.284 CCOCC(=O)CC1COC1 1458a_100000211967_100010264016 [0,1,0,1,0,0|1,0,0]=3 9284 B11R1.284 CCOCC(=O)NC1CCC1 11a_100000749019_100000211967 [0,1,0,1,0,0|1,0,0]=3 9285 B11R1.284 CCOCC(=O)NC1CCC1 1626a_100000749019_100000211967 [0,1,0,1,0,0|1,0,0]=3 9286 B11R1.284 CCOCC(=O)NC1CCC1 240690a_100000749019_100000211967 [0,1,0,1,0,0|1,0,0]=3 9287 B11R1.284 CCOCC(=O)NC1CCC1 527a_100000749019_100000211967 [0,1,0,1,0,0|1,0,0]=3 9288 B11R1.284 CCOCC(=O)NC1COC1 11a_100016991112_100000211967 [0,1,0,1,0,0|2,0,0]=4 9289 B11R1.284 CCOCC(=O)NC1COC1 1626a_100016991112_100000211967 [0,1,0,1,0,0|2,0,0]=4 9290 B11R1.284 CCOCC(=O)NC1COC1 240690a_100016991112_100000211967 [0,1,0,1,0,0|2,0,0]=4 9291 B11R1.284 CCOCC(=O)NC1COC1 527a_100016991112_100000211967 [0,1,0,1,0,0|2,0,0]=4 9292 B11R1.284 CCOCC(=O)NC1CSC1 11a_100016994217_100000211967 [0,1,0,1,0,0|2,0,0]=4 9293 B11R1.284 CCOCC(=O)NC1CSC1 1626a_100016994217_100000211967 [0,1,0,1,0,0|2,0,0]=4 9294 B11R1.284 CCOCC(=O)NC1CSC1 240690a_100016994217_100000211967 [0,1,0,1,0,0|2,0,0]=4 9295 B11R1.284 CCOCC(=O)NC1CSC1 527a_100016994217_100000211967 [0,1,0,1,0,0|2,0,0]=4 9296 B11R1.284 CCOCN(C)CC1CCC1 269982a_200000750244_100000739092 [0,1,0,1,0,0|2,0,0]=4 9297 B11R1.284 CCSCC(=O)CC1CCC1 1458a_100000230394_100000763275 [0,1,0,1,0,0|0,1,0]=3 9298 B11R1.284 CCSCC(=O)CC1CCO1 1458a_100000230394_100000103362 [0,1,0,1,0,0|1,1,0]=4 9299 B11R1.284 CCSCC(=O)CC1COC1 1458a_100000230394_100010264016 [0,1,0,1,0,0|1,1,0]=4 9300 B11R1.284 CCSCC(=O)NC1CCC1 11a_100000749019_100000230394 [0,1,0,1,0,0|1,1,0]=4 9301 B11R1.284 CCSCC(=O)NC1CCC1 1626a_100000749019_100000230394 [0,1,0,1,0,0|1,1,0]=4 9302 B11R1.284 CCSCC(=O)NC1CCC1 240690a_100000749019_100000230394 [0,1,0,1,0,0|1,1,0]=4 9303 B11R1.284 CCSCC(=O)NC1CCC1 527a_100000749019_100000230394 [0,1,0,1,0,0|1,1,0]=4 9304 B11R1.284 COC=CC(=O)CC1CCC1 1458a_100016268678_100000763275 [0,1,0,1,0,0|1,0,1]=4 9305 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000749529_100000763275 [0,1,0,1,0,0|1,0,0]=3 9306 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000763092_100000233755 [0,1,0,1,0,0|1,0,0]=3 9307 B11R1.284 COCCC(=O)CC1CCO1 1458a_100000749529_100000103362 [0,1,0,1,0,0|2,0,0]=4 9308 B11R1.284 COCCC(=O)CC1COC1 1458a_100000687760_100000233755 [0,1,0,1,0,0|2,0,0]=4 9309 B11R1.284 COCCC(=O)CC1COC1 1458a_100000749529_100010264016 [0,1,0,1,0,0|2,0,0]=4 9310 B11R1.284 COCCC(=O)NC1CCC1 11a_100000749019_100000749529 [0,1,0,1,0,0|2,0,0]=4 9311 B11R1.284 COCCC(=O)NC1CCC1 1626a_100000749019_100000749529 [0,1,0,1,0,0|2,0,0]=4 9312 B11R1.284 COCCC(=O)NC1CCC1 240690a_100000749019_100000749529 [0,1,0,1,0,0|2,0,0]=4 9313 B11R1.284 COCCC(=O)NC1CCC1 527a_100000749019_100000749529 [0,1,0,1,0,0|2,0,0]=4 9314 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000174002_100000763275 [0,1,0,1,0,0|1,0,0]=3 9315 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000763092_100000751147 [0,1,0,1,0,0|1,0,0]=3 9316 B11R1.284 CSCCC(=O)CC1CCO1 1458a_100000174002_100000103362 [0,1,0,1,0,0|2,0,0]=4 9317 B11R1.284 CSCCC(=O)CC1COC1 1458a_100000174002_100010264016 [0,1,0,1,0,0|2,0,0]=4 9318 B11R1.284 CSCCC(=O)CC1COC1 1458a_100000687760_100000751147 [0,1,0,1,0,0|2,0,0]=4 9319 B11R1.284 CSCCC(=O)NC1CCC1 11a_100000749019_100000174002 [0,1,0,1,0,0|2,0,0]=4 9320 B11R1.284 CSCCC(=O)NC1CCC1 1626a_100000749019_100000174002 [0,1,0,1,0,0|2,0,0]=4 9321 B11R1.284 CSCCC(=O)NC1CCC1 240690a_100000749019_100000174002 [0,1,0,1,0,0|2,0,0]=4 9322 B11R1.284 CSCCC(=O)NC1CCC1 527a_100000749019_100000174002 [0,1,0,1,0,0|2,0,0]=4 9323 B11R1.284 N#CCCC(=O)CC1CCC1 1458a_100000763092_100011215226 [0,1,0,1,0,0|1,0,1]=4 9324 B11R1.284 N#CCCC(=O)CC1CCC1 1458a_100011934036_100000763275 [0,1,0,1,0,0|1,0,1]=4 9325 B11R1.284 N#CCNC(=O)CC1CCC1 1626a_100000734998_100000763092 [0,1,0,1,0,0|1,0,1]=4 9326 B11R1.284 N#CCNC(=O)CC1CCC1 527a_100000734998_100000763092 [0,1,0,1,0,0|1,0,1]=4 9327 B11R1.284 O=C(C#CCO)CC1CCC1 1458a_100000049017_100000763275 [0,1,0,1,0,0|1,0,1]=4 9328 B11R1.284 O=C(CC1CCC1)NCCF 11a_100000724931_100000763092 [0,1,0,1,0,0|1,0,0]=3 9329 B11R1.284 O=C(CC1CCC1)NCCF 1626a_100000724931_100000763092 [0,1,0,1,0,0|1,0,0]=3 9330 B11R1.284 O=C(CC1CCC1)NCCF 240690a_100000724931_100000763092 [0,1,0,1,0,0|1,0,0]=3 9331 B11R1.284 O=C(CC1CCC1)NCCF 527a_100000724931_100000763092 [0,1,0,1,0,0|1,0,0]=3 9332 B11R1.284 O=C(CC1CCC1)NCCO 240690a_100000210304_100000763092 [0,1,0,1,0,0|1,0,0]=3 9333 B11R1.284 O=C(CC1CCC1)NCCO 527a_100000210304_100000763092 [0,1,0,1,0,0|1,0,0]=3 9334 B11R1.284 O=C(CC1COC1)NCCF 11a_100000724931_100000687760 [0,1,0,1,0,0|2,0,0]=4 9335 B11R1.284 O=C(CC1COC1)NCCF 1626a_100000724931_100000687760 [0,1,0,1,0,0|2,0,0]=4 9336 B11R1.284 O=C(CCCF)CC1CCC1 1458a_100000763092_100011934791 [0,1,0,1,0,0|1,0,0]=3 9337 B11R1.284 O=C(CCCF)CC1COC1 1458a_100000687760_100011934791 [0,1,0,1,0,0|2,0,0]=4 9338 B11R1.284 O=C(CCCO)CC1CCC1 1458a_100000763092_100011215043 [0,1,0,1,0,0|1,0,0]=3 9339 B11R1.284 O=C(CCCO)CC1COC1 1458a_100000687760_100011215043 [0,1,0,1,0,0|2,0,0]=4 9340 B11R1.284 O=C(NCCF)NC1CCC1 273464a_100000724931_100000749019 [0,1,0,1,0,0|2,0,0]=4 9341 B11R1.284 O=C(NCCF)NC1CCC1 273464a_100000749019_100000724931 [0,1,0,1,0,0|2,0,0]=4 9342 B11R1.284 O=C(NCCF)NC1CCC1 512a_100000749019_100000724931 [0,1,0,1,0,0|2,0,0]=4 9343 B11R1.284 O=C(NCCO)NC1CCC1 273464a_100000210304_100000749019 [0,1,0,1,0,0|2,0,0]=4 9344 B11R1.284 O=C(NCCO)NC1CCC1 273464a_100000749019_100000210304 [0,1,0,1,0,0|2,0,0]=4 9345 B11R1.284 O=C(NCCO)NC1CCC1 512a_100000749019_100000210304 [0,1,0,1,0,0|2,0,0]=4 9346 B11R1.286 CC1CCN1C(=O)NCCF 273464a_100000724931_100000755817 [0,1,0,1,0,0|2,0,0]=4 9347 B11R1.286 CC1CCN1C(=O)NCCO 273464a_100000210304_100000755817 [0,1,0,1,0,0|2,0,0]=4 9348 B11R1.286 CCC=CC(=O)N1CCC1C 11a_100000755817_100000212282 [0,1,0,1,0,0|2,0,0]=4 9349 B11R1.286 CCC=CC(=O)N1CCC1C 240690a_100000755817_100000212282 [0,1,0,1,0,0|2,0,0]=4 9350 B11R1.286 CCCCC(=O)N1CCC1C 11a_100000755817_100000210183 [0,1,0,1,0,0|2,0,0]=4 9351 B11R1.286 CCCCC(=O)N1CCC1C 240690a_100000755817_100000210183 [0,1,0,1,0,0|2,0,0]=4 9352 B11R1.286 CCCCC(=O)N1CCC1C 527a_100000755817_100000210183 [0,1,0,1,0,0|2,0,0]=4 9353 B11R1.286 CCCNC(=O)N1CCC1C 2708a_100020643023_100000755817 [0,1,0,1,0,0|2,0,0]=4 9354 B11R1.286 CCCNC(=O)N1CCC1C 273464a_100020643023_100000755817 [0,1,0,1,0,0|2,0,0]=4 9355 B11R1.286 CCOCC(=O)C1CCC1=O 1458a_100000211967_100009892977 [0,1,0,1,0,0|1,0,1]=4 9356 B11R1.286 CCOCC(=O)N1CCC1C 11a_100000755817_100000211967 [0,1,0,1,0,0|1,0,0]=3 9357 B11R1.286 CCOCC(=O)N1CCC1C 240690a_100000755817_100000211967 [0,1,0,1,0,0|1,0,0]=3 9358 B11R1.286 CCOCC(=O)N1CCC1C 527a_100000755817_100000211967 [0,1,0,1,0,0|1,0,0]=3 9359 B11R1.286 CCSCC(=O)N1CCC1C 11a_100000755817_100000230394 [0,1,0,1,0,0|1,1,0]=4 9360 B11R1.286 CCSCC(=O)N1CCC1C 240690a_100000755817_100000230394 [0,1,0,1,0,0|1,1,0]=4 9361 B11R1.286 CCSCC(=O)N1CCC1C 527a_100000755817_100000230394 [0,1,0,1,0,0|1,1,0]=4 9362 B11R1.286 COCCC(=O)N1CCC1C 11a_100000755817_100000749529 [0,1,0,1,0,0|2,0,0]=4 9363 B11R1.286 COCCC(=O)N1CCC1C 240690a_100000755817_100000749529 [0,1,0,1,0,0|2,0,0]=4 9364 B11R1.286 COCCC(=O)N1CCC1C 527a_100000755817_100000749529 [0,1,0,1,0,0|2,0,0]=4 9365 B11R1.286 CSCCC(=O)N1CCC1C 11a_100000755817_100000174002 [0,1,0,1,0,0|2,0,0]=4 9366 B11R1.286 CSCCC(=O)N1CCC1C 240690a_100000755817_100000174002 [0,1,0,1,0,0|2,0,0]=4 9367 B11R1.286 CSCCC(=O)N1CCC1C 527a_100000755817_100000174002 [0,1,0,1,0,0|2,0,0]=4 9368 B11R1.345 C#CCCC(=O)CC1(CC1)C 1458a_100000112800_100000753159 [0,1,0,1,0,0|1,0,1]=4 9369 B11R1.345 C#CCNC(=O)CC1(CC1)C 11a_100000212058_100000112800 [0,1,0,1,0,0|1,0,1]=4 9370 B11R1.345 C#CCNC(=O)CC1(CC1)C 1626a_100000212058_100000112800 [0,1,0,1,0,0|1,0,1]=4 9371 B11R1.345 C#CCNC(=O)CC1(CC1)C 240690a_100000212058_100000112800 [0,1,0,1,0,0|1,0,1]=4 9372 B11R1.345 C#CCNC(=O)CC1(CC1)C 527a_100000212058_100000112800 [0,1,0,1,0,0|1,0,1]=4 9373 B11R1.345 C/C=C/CC(=O)CC1(CC1)C 1458a_100000112800_100102629194 [0,1,0,1,0,0|1,0,1]=4 9374 B11R1.345 C=CCCC(=O)CC1(CC1)C 1458a_100000112800_100000754431 [0,1,0,1,0,0|1,0,1]=4 9375 B11R1.345 C=CCNC(=O)CC1(CC1)C 1626a_100020586998_100000112800 [0,1,0,1,0,0|1,0,1]=4 9376 B11R1.345 C=CCNC(=O)CC1(CC1)C 240690a_100020586998_100000112800 [0,1,0,1,0,0|1,0,1]=4 9377 B11R1.345 C=CCNC(=O)CC1(CC1)C 527a_100020586998_100000112800 [0,1,0,1,0,0|1,0,1]=4 9378 B11R1.345 CC#CCC(=O)CC1(CC1)C 1458a_100000112800_100000748600 [0,1,0,1,0,0|1,0,1]=4 9379 B11R1.345 CC1(CC1)CC(=O)CCC#N 1458a_100000112800_100011215226 [0,1,0,1,0,0|1,0,1]=4 9380 B11R1.345 CC1(CC1)CC(=O)CCCF 1458a_100000112800_100011934791 [0,1,0,1,0,0|1,0,0]=3 9381 B11R1.345 CC1(CC1)CC(=O)CCCO 1458a_100000112800_100011215043 [0,1,0,1,0,0|1,0,0]=3 9382 B11R1.345 CC1(CC1)CC(=O)NCC#N 1626a_100000734998_100000112800 [0,1,0,1,0,0|1,0,1]=4 9383 B11R1.345 CC1(CC1)CC(=O)NCC#N 527a_100000734998_100000112800 [0,1,0,1,0,0|1,0,1]=4 9384 B11R1.345 CC1(CC1)CC(=O)NCCF 11a_100000724931_100000112800 [0,1,0,1,0,0|1,0,0]=3 9385 B11R1.345 CC1(CC1)CC(=O)NCCF 1626a_100000724931_100000112800 [0,1,0,1,0,0|1,0,0]=3 9386 B11R1.345 CC1(CC1)CC(=O)NCCF 240690a_100000724931_100000112800 [0,1,0,1,0,0|1,0,0]=3 9387 B11R1.345 CC1(CC1)CC(=O)NCCF 527a_100000724931_100000112800 [0,1,0,1,0,0|1,0,0]=3 9388 B11R1.345 CC1(CC1)CC(=O)NCCO 240690a_100000210304_100000112800 [0,1,0,1,0,0|1,0,0]=3 9389 B11R1.345 CC1(CC1)CC(=O)NCCO 527a_100000210304_100000112800 [0,1,0,1,0,0|1,0,0]=3 9390 B11R1.345 CC1(CC1)NC(=O)NCCF 273464a_100000724931_100000757604 [0,1,0,1,0,0|2,0,0]=4 9391 B11R1.345 CC1(CC1)NC(=O)NCCF 273464a_100000757604_100000724931 [0,1,0,1,0,0|2,0,0]=4 9392 B11R1.345 CC1(CC1)NC(=O)NCCF 512a_100000757604_100000724931 [0,1,0,1,0,0|2,0,0]=4 9393 B11R1.345 CC1(CC1)NC(=O)NCCO 273464a_100000210304_100000757604 [0,1,0,1,0,0|2,0,0]=4 9394 B11R1.345 CC1(CC1)NC(=O)NCCO 273464a_100000757604_100000210304 [0,1,0,1,0,0|2,0,0]=4 9395 B11R1.345 CC1(CC1)NC(=O)NCCO 512a_100000757604_100000210304 [0,1,0,1,0,0|2,0,0]=4 9396 B11R1.345 CC=CCC(=O)CC1(CC1)C 1458a_100000112800_100000070051 [0,1,0,1,0,0|1,0,1]=4 9397 B11R1.345 CCC#CC(=O)CC1(CO1)C 1458a_100011827653_100000760498 [0,1,0,1,0,0|2,0,0]=4 9398 B11R1.345 CCC=CC(=O)CC1(CO1)C 1458a_100000212282_100000760498 [0,1,0,1,0,0|2,0,0]=4 9399 B11R1.345 CCC=CC(=O)NC1(CC1)C 11a_100000757604_100000212282 [0,1,0,1,0,0|2,0,0]=4 9400 B11R1.345 CCC=CC(=O)NC1(CC1)C 1626a_100000757604_100000212282 [0,1,0,1,0,0|2,0,0]=4 9401 B11R1.345 CCC=CC(=O)NC1(CC1)C 240690a_100000757604_100000212282 [0,1,0,1,0,0|2,0,0]=4 9402 B11R1.345 CCCCC(=O)CC1(CC1)C 1458a_100000112800_100000210211 [0,1,0,1,0,0|1,0,0]=3 9403 B11R1.345 CCCCC(=O)CC1(CO1)C 1458a_100000210183_100000760498 [0,1,0,1,0,0|2,0,0]=4 9404 B11R1.345 CCCCC(=O)NC1(CC1)C 11a_100000757604_100000210183 [0,1,0,1,0,0|2,0,0]=4 9405 B11R1.345 CCCCC(=O)NC1(CC1)C 1626a_100000757604_100000210183 [0,1,0,1,0,0|2,0,0]=4 9406 B11R1.345 CCCCC(=O)NC1(CC1)C 240690a_100000757604_100000210183 [0,1,0,1,0,0|2,0,0]=4 9407 B11R1.345 CCCCC(=O)NC1(CC1)C 527a_100000757604_100000210183 [0,1,0,1,0,0|2,0,0]=4 9408 B11R1.345 CCCNC(=O)CC1(CC1)C 11a_100020643023_100000112800 [0,1,0,1,0,0|1,0,0]=3 9409 B11R1.345 CCCNC(=O)CC1(CC1)C 1626a_100020643023_100000112800 [0,1,0,1,0,0|1,0,0]=3 9410 B11R1.345 CCCNC(=O)CC1(CC1)C 240690a_100020643023_100000112800 [0,1,0,1,0,0|1,0,0]=3 9411 B11R1.345 CCCNC(=O)CC1(CC1)C 527a_100020643023_100000112800 [0,1,0,1,0,0|1,0,0]=3 9412 B11R1.345 CCCNC(=O)NC1(CC1)C 2708a_100020643023_100000757604 [0,1,0,1,0,0|2,0,0]=4 9413 B11R1.345 CCCNC(=O)NC1(CC1)C 273464a_100000757604_100020643023 [0,1,0,1,0,0|2,0,0]=4 9414 B11R1.345 CCCNC(=O)NC1(CC1)C 273464a_100020643023_100000757604 [0,1,0,1,0,0|2,0,0]=4 9415 B11R1.345 CCCNC(=O)NC1(CC1)C 512a_100000757604_100020643023 [0,1,0,1,0,0|2,0,0]=4 9416 B11R1.345 CCNNC(=O)CC1(CC1)C 22a_100000756455_100000112800 [0,1,0,1,0,0|1,0,0]=3 9417 B11R1.345 CCNNC(=O)NC1(CC1)C 273464a_100000757604_100000756455 [0,1,0,1,0,0|2,0,0]=4 9418 B11R1.345 CCNNC(=O)NC1(CC1)C 512a_100000757604_100000756455 [0,1,0,1,0,0|2,0,0]=4 9419 B11R1.345 CCOCC(=O)CC1(CO1)C 1458a_100000211967_100000760498 [0,1,0,1,0,0|1,0,0]=3 9420 B11R1.345 CCOCC(=O)NC1(CC1)C 11a_100000757604_100000211967 [0,1,0,1,0,0|1,0,0]=3 9421 B11R1.345 CCOCC(=O)NC1(CC1)C 1626a_100000757604_100000211967 [0,1,0,1,0,0|1,0,0]=3 9422 B11R1.345 CCOCC(=O)NC1(CC1)C 240690a_100000757604_100000211967 [0,1,0,1,0,0|1,0,0]=3 9423 B11R1.345 CCOCC(=O)NC1(CC1)C 527a_100000757604_100000211967 [0,1,0,1,0,0|1,0,0]=3 9424 B11R1.345 CCSCC(=O)CC1(CO1)C 1458a_100000230394_100000760498 [0,1,0,1,0,0|1,1,0]=4 9425 B11R1.345 CCSCC(=O)NC1(CC1)C 11a_100000757604_100000230394 [0,1,0,1,0,0|1,1,0]=4 9426 B11R1.345 CCSCC(=O)NC1(CC1)C 1626a_100000757604_100000230394 [0,1,0,1,0,0|1,1,0]=4 9427 B11R1.345 CCSCC(=O)NC1(CC1)C 240690a_100000757604_100000230394 [0,1,0,1,0,0|1,1,0]=4 9428 B11R1.345 CCSCC(=O)NC1(CC1)C 527a_100000757604_100000230394 [0,1,0,1,0,0|1,1,0]=4 9429 B11R1.345 COCCC(=O)CC1(CC1)C 1458a_100000112800_100000233755 [0,1,0,1,0,0|1,0,0]=3 9430 B11R1.345 COCCC(=O)CC1(CO1)C 1458a_100000749529_100000760498 [0,1,0,1,0,0|2,0,0]=4 9431 B11R1.345 COCCC(=O)NC1(CC1)C 11a_100000757604_100000749529 [0,1,0,1,0,0|2,0,0]=4 9432 B11R1.345 COCCC(=O)NC1(CC1)C 1626a_100000757604_100000749529 [0,1,0,1,0,0|2,0,0]=4 9433 B11R1.345 COCCC(=O)NC1(CC1)C 240690a_100000757604_100000749529 [0,1,0,1,0,0|2,0,0]=4 9434 B11R1.345 COCCC(=O)NC1(CC1)C 527a_100000757604_100000749529 [0,1,0,1,0,0|2,0,0]=4 9435 B11R1.345 CSCCC(=O)CC1(CC1)C 1458a_100000112800_100000751147 [0,1,0,1,0,0|1,0,0]=3 9436 B11R1.345 CSCCC(=O)CC1(CO1)C 1458a_100000174002_100000760498 [0,1,0,1,0,0|2,0,0]=4 9437 B11R1.345 CSCCC(=O)NC1(CC1)C 11a_100000757604_100000174002 [0,1,0,1,0,0|2,0,0]=4 9438 B11R1.345 CSCCC(=O)NC1(CC1)C 1626a_100000757604_100000174002 [0,1,0,1,0,0|2,0,0]=4 9439 B11R1.345 CSCCC(=O)NC1(CC1)C 240690a_100000757604_100000174002 [0,1,0,1,0,0|2,0,0]=4 9440 B11R1.345 CSCCC(=O)NC1(CC1)C 527a_100000757604_100000174002 [0,1,0,1,0,0|2,0,0]=4 9441 B11R1.815 CC1CC1C(=O)C[C@@H](C)CO 1458a_100000211227_100000059175 [0,1,0,1,0,0|2,0,0]=4 9442 B11R1.815 CCC(C)CC(=O)C1CC1C 1458a_100000211227_100000748023 [0,1,0,1,0,0|1,0,0]=3 9443 B11R1.815 CCC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000748023 [0,1,0,1,0,0|1,0,0]=3 9444 B11R1.815 CCC(C)NC(=O)C1CC1C 11a_100000209981_100000211227 [0,1,0,1,0,0|2,0,0]=4 9445 B11R1.815 CCC(C)NC(=O)C1CC1C 1626a_100000209981_100000211227 [0,1,0,1,0,0|2,0,0]=4 9446 B11R1.815 CCC(C)NC(=O)C1CC1C 527a_100000209981_100000211227 [0,1,0,1,0,0|2,0,0]=4 9447 B11R1.815 CCC(C)NC(=O)[C@@H]1C[C@@H]1F 11a_100000209981_100015396687 [0,1,0,1,0,0|2,0,0]=4 9448 B11R1.815 CCC(C)NC(=O)[C@@H]1C[C@@H]1F 240690a_100000209981_100015396687 [0,1,0,1,0,0|2,0,0]=4 9449 B11R1.815 CCC(C)NC(=O)[C@@H]1C[C@@H]1F 527a_100000209981_100015396687 [0,1,0,1,0,0|2,0,0]=4 9450 B11R1.815 CCC(O)CC(=O)C1CC1C 1458a_100000211227_100011218378 [0,1,0,1,0,0|2,0,0]=4 9451 B11R1.815 CCC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218378 [0,1,0,1,0,0|2,0,0]=4 9452 B11R1.815 CC[C@H](C)CC(=O)C1CC1C 1458a_100000211227_100009816398 [0,1,0,1,0,0|1,0,0]=3 9453 B11R1.815 CC[C@H](C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100009816398 [0,1,0,1,0,0|1,0,0]=3 9454 B11R1.815 C[C@@H](CO)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000059175 [0,1,0,1,0,0|2,0,0]=4 9455 B11R1.875 CCN(C)C1C(=O)COC1=O 269982a_100000225621_100000032967 [0,1,0,1,0,0|1,0,1]=4 9456 B11R1.48 CCN1CC(CC1=O)C(=O)C 1458a_100000215766_200000210301 [0,1,0,1,0,0|1,0,1]=4 9457 B11R1.48 CCN1CC(CC1=O)C(=O)[13CH3] 1458a_100000215766_200025704644 [0,1,0,1,0,0|1,0,1]=4 9458 B11R1.89 CC(C)C(=O)C1CCOC1=O 1458a_100000210198_100000211211 [0,1,0,1,0,0|1,0,1]=4 9459 B11R1.89 CC(C)N(C)C1CCCC1=O 269982a_200000211004_100000211823 [0,1,0,1,0,0|2,0,0]=4 9460 B11R1.89 CC(C)N(C)C1CCOC1=O 269982a_200000211004_100000211211 [0,1,0,1,0,0|1,0,0]=3 9461 B11R1.89 CC(F)C(=O)C1CCOC1=O 1458a_100000062450_100000211211 [0,1,0,1,0,0|1,0,1]=4 9462 B11R1.89 C[C@@H](O)C(=O)C1CCOC1=O 1458a_100000717761_100000211211 [0,1,0,1,0,0|1,0,1]=4 9463 B11R1.89 C[C@H](O)C(=O)C1CCOC1=O 1458a_217856618621_100000211211 [0,1,0,1,0,0|1,0,1]=4 9464 B11R1.277 CCN1C[C@@H](N(CC1=O)C)C 2230a_100121572426_200000210301 [0,1,0,1,0,0|2,0,0]=4 9465 B11R1.277 CCN1C[C@@H](N(CC1=O)C)C 269982a_100121572426_200000210301 [0,1,0,1,0,0|2,0,0]=4 9466 B11R1.277 CCN1C[C@@H](N(CC1=O)C)C 34a_100121572426_200000210301 [0,1,0,1,0,0|2,0,0]=4 9467 B11R1.277 CCN1C[C@@H](N(CC1=O)[13CH3])C 2230a_100121572426_200025704644 [0,1,0,1,0,0|2,0,0]=4 9468 B11R1.277 CCN1C[C@@H](N(CC1=O)[13CH3])C 269982a_100121572426_200025704644 [0,1,0,1,0,0|2,0,0]=4 9469 B11R1.277 CCN1C[C@@H](N(CC1=O)[13CH3])C 34a_100121572426_200025704644 [0,1,0,1,0,0|2,0,0]=4 9470 B11R1.497 CC(C)N1CCCNC(=O)C1 2230a_100015190381_100000210206 [0,1,0,1,0,0|2,0,0]=4 9471 B11R1.718 CC(C)C(C)NC(=O)C1CC1 11a_100000211541_100000210395 [0,1,0,1,0,0|2,0,0]=4 9472 B11R1.718 CC(C)C(C)NC(=O)C1CC1 1626a_100000211541_100000210395 [0,1,0,1,0,0|2,0,0]=4 9473 B11R1.718 CC(C)C(C)NC(=O)C1CC1 240690a_100000211541_100000210395 [0,1,0,1,0,0|2,0,0]=4 9474 B11R1.718 CC(C)C(C)NC(=O)C1CC1 527a_100000211541_100000210395 [0,1,0,1,0,0|2,0,0]=4 9475 B11R1.718 CC(C)N(C)CC(=O)C1CC1 269982a_200000211004_100000746382 [0,1,0,1,0,0|2,0,0]=4 9476 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)C 1458a_100009818562_200000210301 [0,1,0,1,0,0|0,0,1]=3 9477 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)[13CH3] 1458a_100009818562_200025704644 [0,1,0,1,0,0|0,0,1]=3 9478 B11R1.839 CCCC(=O)CC1CC1(F)F 1458a_100000138109_100000210303 [0,1,0,1,0,0|2,0,0]=4 9479 B11R1.839 CCCC(=O)CC1CC1(F)F 1458a_100000211992_100009817841 [0,1,0,1,0,0|2,0,0]=4 9480 B11R1.839 CCNC(=O)CC1CC1(F)F 11a_100015525214_100000138109 [0,1,0,1,0,0|2,0,0]=4 9481 B11R1.839 CCNC(=O)CC1CC1(F)F 240690a_100015525214_100000138109 [0,1,0,1,0,0|2,0,0]=4 9482 B11R1.839 CCNC(=O)CC1CC1(F)F 527a_100015525214_100000138109 [0,1,0,1,0,0|2,0,0]=4 9483 B11R1.182 CCOC1CC(CCC1C)C 34a_100011217446_100000210202 [0,1,0,1,0,0|1,0,1]=4 9484 B11R1.182 CCOC1CC(CCC1C)C 7a_100011217446_100000210202 [0,1,0,1,0,0|1,0,1]=4 9485 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,1,0,1,0,0|1,0,1]=4 9486 B11R1.189 CCOC1CCCC(C1)CN 34a_100011254705_100000210202 [0,1,0,1,0,0|1,0,1]=4 9487 B11R1.384 CCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210202 [0,1,0,1,0,0|2,0,0]=4 9488 B11R1.384 CCN1CCCN(C(=O)C1)C 269982a_100000709885_100000204670 [0,1,0,1,0,0|2,0,0]=4 9489 B11R1.384 CCN1CCCN(C(=O)C1)C 34a_100000709885_100000210202 [0,1,0,1,0,0|2,0,0]=4 9490 B11R1.168 CCN(CC)C1CCCC1=O 2230a_100000724800_100000211823 [0,1,0,1,0,0|2,0,0]=4 9491 B11R1.168 CCN(CC)C1CCCC1=O 269956a_100000042499_100000211823 [0,1,0,1,0,0|2,0,0]=4 9492 B11R1.168 CCN(CC)C1CCCC1=O 269982a_100000724800_100000211823 [0,1,0,1,0,0|2,0,0]=4 9493 B11R1.168 CCN(CC)C1CCOC1=O 2230a_100000724800_100000211211 [0,1,0,1,0,0|1,0,0]=3 9494 B11R1.168 CCN(CC)C1CCOC1=O 269982a_100000724800_100000211211 [0,1,0,1,0,0|1,0,0]=3 9495 B11R1.279 CCN1CCN(C(=O)C1)CC 2230a_100000701330_100000210202 [0,1,0,1,0,0|2,0,0]=4 9496 B11R1.279 CCN1CCN(C(=O)C1)CC 269982a_100000701330_100000204670 [0,1,0,1,0,0|2,0,0]=4 9497 B11R1.279 CCN1CCN(CC1=O)CF 269982a_100000701330_100015361967 [0,1,0,1,0,0|2,0,0]=4 9498 B11R1.367 CCC(CC)CC(=O)C1CC1 1458a_100000210395_100011215472 [0,1,0,1,0,0|1,0,0]=3 9499 B11R1.367 CCC(CC)CC(=O)C1CO1 1458a_100000701028_100011215472 [0,1,0,1,0,0|2,0,0]=4 9500 B11R1.367 CCC(CC)NC(=O)C1CC1 11a_100000199018_100000210395 [0,1,0,1,0,0|2,0,0]=4 9501 B11R1.367 CCC(CC)NC(=O)C1CC1 1626a_100000199018_100000210395 [0,1,0,1,0,0|2,0,0]=4 9502 B11R1.367 CCC(CC)NC(=O)C1CC1 240690a_100000199018_100000210395 [0,1,0,1,0,0|2,0,0]=4 9503 B11R1.367 CCC(CC)NC(=O)C1CC1 527a_100000199018_100000210395 [0,1,0,1,0,0|2,0,0]=4 9504 B11R1.367 CCN(CC)CC(=O)C1CC1 2230a_100000724800_100000746382 [0,1,0,1,0,0|2,0,0]=4 9505 B11R1.367 CCN(CC)CC(=O)C1CC1 269956a_100000042499_100000746382 [0,1,0,1,0,0|2,0,0]=4 9506 B11R1.367 CCN(CC)CC(=O)C1CC1 269982a_100000724800_100000746382 [0,1,0,1,0,0|2,0,0]=4 9507 B11R1.367 CC[C@@H](CO)NC(=O)C1CC1 240690a_100000709445_100000210395 [0,1,0,1,0,0|2,0,0]=4 9508 B11R1.367 CC[C@@H](CO)NC(=O)C1CC1 527a_100000709445_100000210395 [0,1,0,1,0,0|2,0,0]=4 9509 B11R1.367 COC(CC(=O)C1CC1)OC 1458a_100000210395_100000751394 [0,1,0,1,0,0|2,0,0]=4 9510 B11R1.13 CCOC1CCCC(C1C)C 34a_100011217532_100000210202 [0,1,0,1,0,0|1,0,1]=4 9511 B11R1.13 CCOC1CCCC(C1C)C 7a_100011217532_100000210202 [0,1,0,1,0,0|1,0,1]=4 9512 B11R1.240 CCC(C)C(=O)C1CC1CC 1458a_200011661523_100000758301 [0,1,0,1,0,0|1,0,0]=3 9513 B11R1.240 CCC1CC1C(=O)N(C)CC 11a_100000225621_200011661523 [0,1,0,1,0,0|1,0,0]=3 9514 B11R1.240 CCC1CC1C(=O)N(C)CC 1626a_100000225621_200011661523 [0,1,0,1,0,0|1,0,0]=3 9515 B11R1.240 CCC1CC1C(=O)N(C)CC 240690a_100000225621_200011661523 [0,1,0,1,0,0|1,0,0]=3 9516 B11R1.240 CCC1CC1C(=O)N(C)CC 527a_100000225621_200011661523 [0,1,0,1,0,0|1,0,0]=3 9517 B11R1.278 CCN1CCN(C(C1=O)C)C 2230a_100000708142_200000210301 [0,1,0,1,0,0|2,0,0]=4 9518 B11R1.278 CCN1CCN(C(C1=O)C)C 269982a_100000708142_200000210301 [0,1,0,1,0,0|2,0,0]=4 9519 B11R1.278 CCN1CCN(C(C1=O)C)C 34a_100000708142_200000210301 [0,1,0,1,0,0|2,0,0]=4 9520 B11R1.278 CCN1CCN(C(C1=O)C)[13CH3] 2230a_100000708142_200025704644 [0,1,0,1,0,0|2,0,0]=4 9521 B11R1.278 CCN1CCN(C(C1=O)C)[13CH3] 269982a_100000708142_200025704644 [0,1,0,1,0,0|2,0,0]=4 9522 B11R1.278 CCN1CCN(C(C1=O)C)[13CH3] 34a_100000708142_200025704644 [0,1,0,1,0,0|2,0,0]=4 9523 B11R1.349 CCCC(=O)N(C)C1CCC1 11a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 9524 B11R1.349 CCCC(=O)N(C)C1CCC1 1626a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 9525 B11R1.349 CCCC(=O)N(C)C1CCC1 240690a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 9526 B11R1.349 CCCC(=O)N(C)C1CCC1 527a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 9527 B11R1.349 CCNC(=O)C(=O)C1CCC1 1458a_200011297158_100000749161 [0,1,0,1,0,0|1,0,1]=4 9528 B11R1.349 CCNC(=O)C(C)N1CCC1 269982a_100000754969_100000230173 [0,1,0,1,0,0|2,0,0]=4 9529 B11R1.349 CCNC(=O)N(C)C1CCC1 2708a_100015525214_100000758072 [0,1,0,1,0,0|2,0,0]=4 9530 B11R1.349 CCNC(=O)N(C)C1CCC1 273464a_100015525214_100000758072 [0,1,0,1,0,0|2,0,0]=4 9531 B11R1.349 CCOC(=O)C(=O)N1CCC1 11a_100000754969_100014798877 [0,1,0,1,0,0|1,0,1]=4 9532 B11R1.349 CCOC(=O)C(=O)N1CCC1 240690a_100000754969_100014798877 [0,1,0,1,0,0|1,0,1]=4 9533 B11R1.349 CCOC(=O)C(C)N1CCC1 269982a_100000754969_100011216346 [0,1,0,1,0,0|1,0,0]=3 9534 B11R1.349 CCOC(=O)C(F)N1CCC1 269982a_100000754969_100000760018 [0,1,0,1,0,0|1,0,0]=3 9535 B11R1.385 CCC(C)N(C)C(=O)C1CC1 11a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 9536 B11R1.385 CCC(C)N(C)C(=O)C1CC1 1626a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 9537 B11R1.385 CCC(C)N(C)C(=O)C1CC1 240690a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 9538 B11R1.385 CCC(C)N(C)C(=O)C1CC1 527a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 9539 B11R1.50 CC(C)N1CC(CC1=O)N[13CH3] 2230a_100000749498_200025704644 [0,1,0,1,0,0|2,0,0]=4 9540 B11R1.50 CC(C)N1CC(CC1=O)N[13CH3] 34a_100000749498_200025704644 [0,1,0,1,0,0|2,0,0]=4 9541 B11R1.50 CNC1CC(=O)N(C1)C(C)C 2230a_100000749498_200000210301 [0,1,0,1,0,0|2,0,0]=4 9542 B11R1.50 CNC1CC(=O)N(C1)C(C)C 34a_100000749498_200000210301 [0,1,0,1,0,0|2,0,0]=4 9543 B11R1.141 CC(C)CC(=O)N1CCC1C 11a_100000755817_100000210554 [0,1,0,1,0,0|2,0,0]=4 9544 B11R1.141 CC(C)CC(=O)N1CCC1C 240690a_100000755817_100000210554 [0,1,0,1,0,0|2,0,0]=4 9545 B11R1.141 CC(C)CC(=O)N1CCC1C 527a_100000755817_100000210554 [0,1,0,1,0,0|2,0,0]=4 9546 B11R1.141 CC(C)NC(=O)N1CCC1C 2708a_100138425928_100000755817 [0,1,0,1,0,0|2,0,0]=4 9547 B11R1.141 CC(C)NC(=O)N1CCC1C 273464a_100138425928_100000755817 [0,1,0,1,0,0|2,0,0]=4 9548 B11R1.141 CC1CCN1C(=O)C[C@@H](C)O 240690a_100000755817_100011933948 [0,1,0,1,0,0|2,0,0]=4 9549 B11R1.157 CC1CCCC(C1)OC(C)C 34a_100000211399_100000210206 [0,1,0,1,0,0|1,0,1]=4 9550 B11R1.166 CC(C)N1CCN(CC1=O)C 2230a_100000698735_200000210301 [0,1,0,1,0,0|2,0,0]=4 9551 B11R1.166 CC(C)N1CCN(CC1=O)C 269982a_100000698735_200000210301 [0,1,0,1,0,0|2,0,0]=4 9552 B11R1.166 CC(C)N1CCN(CC1=O)C 34a_100000698735_200000210301 [0,1,0,1,0,0|2,0,0]=4 9553 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 2230a_100000698735_200025704644 [0,1,0,1,0,0|2,0,0]=4 9554 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 269982a_100000698735_200025704644 [0,1,0,1,0,0|2,0,0]=4 9555 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 34a_100000698735_200025704644 [0,1,0,1,0,0|2,0,0]=4 9556 B11R1.257 C=C(C)CC(=O)C1CC1CC 1458a_200011661523_100000748629 [0,1,0,1,0,0|1,0,1]=4 9557 B11R1.257 CCC1CC1C(=O)CC(C)C 1458a_200011661523_100000210624 [0,1,0,1,0,0|1,0,0]=3 9558 B11R1.257 CCC1CC1C(=O)CC(C)O 1458a_200011661523_100011218427 [0,1,0,1,0,0|1,0,0]=3 9559 B11R1.257 CCC1CC1C(=O)CC(F)F 1458a_200011661523_100011934356 [0,1,0,1,0,0|2,0,0]=4 9560 B11R1.257 CCC1CC1C(=O)NC(C)C 11a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 9561 B11R1.257 CCC1CC1C(=O)NC(C)C 1626a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 9562 B11R1.257 CCC1CC1C(=O)NC(C)C 240690a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 9563 B11R1.257 CCC1CC1C(=O)NC(C)C 527a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 9564 B11R1.484 C=C(C)CC(=O)CC1CCC1 1458a_100000763092_100000748629 [0,1,0,1,0,0|1,0,1]=4 9565 B11R1.484 CC(=CC(=O)CC1CCC1)C 1458a_100000211388_100000763275 [0,1,0,1,0,0|1,0,1]=4 9566 B11R1.484 CC(=CC(=O)CC1CCC1)Cl 1458a_200042562850_100000763275 [0,1,0,1,0,0|1,0,1]=4 9567 B11R1.484 CC(=CC(=O)CC1CCC1)I 1458a_100025716642_100000763275 [0,1,0,1,0,0|1,0,1]=4 9568 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000210554_100000763275 [0,1,0,1,0,0|1,0,0]=3 9569 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000763092_100000210624 [0,1,0,1,0,0|1,0,0]=3 9570 B11R1.484 CC(C)CC(=O)CC1CCO1 1458a_100000210554_100000103362 [0,1,0,1,0,0|2,0,0]=4 9571 B11R1.484 CC(C)CC(=O)CC1COC1 1458a_100000210554_100010264016 [0,1,0,1,0,0|2,0,0]=4 9572 B11R1.484 CC(C)CC(=O)CC1COC1 1458a_100000687760_100000210624 [0,1,0,1,0,0|2,0,0]=4 9573 B11R1.484 CC(C)CC(=O)NC1CCC1 11a_100000749019_100000210554 [0,1,0,1,0,0|2,0,0]=4 9574 B11R1.484 CC(C)CC(=O)NC1CCC1 1626a_100000749019_100000210554 [0,1,0,1,0,0|2,0,0]=4 9575 B11R1.484 CC(C)CC(=O)NC1CCC1 240690a_100000749019_100000210554 [0,1,0,1,0,0|2,0,0]=4 9576 B11R1.484 CC(C)CC(=O)NC1CCC1 527a_100000749019_100000210554 [0,1,0,1,0,0|2,0,0]=4 9577 B11R1.484 CC(C)NC(=O)CC1CCC1 11a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 9578 B11R1.484 CC(C)NC(=O)CC1CCC1 1626a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 9579 B11R1.484 CC(C)NC(=O)CC1CCC1 240690a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 9580 B11R1.484 CC(C)NC(=O)CC1CCC1 527a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 9581 B11R1.484 CC(C)NC(=O)CC1COC1 11a_100138425928_100000687760 [0,1,0,1,0,0|2,0,0]=4 9582 B11R1.484 CC(C)NC(=O)CC1COC1 1626a_100138425928_100000687760 [0,1,0,1,0,0|2,0,0]=4 9583 B11R1.484 CC(C)NC(=O)CN1CCC1 269982a_100000754969_100000183996 [0,1,0,1,0,0|2,0,0]=4 9584 B11R1.484 CC(C)NC(=O)NC1CCC1 2708a_100138425928_100000749019 [0,1,0,1,0,0|2,0,0]=4 9585 B11R1.484 CC(C)NC(=O)NC1CCC1 273464a_100138425928_100000749019 [0,1,0,1,0,0|2,0,0]=4 9586 B11R1.484 CC(C)NC(=O)NC1CCC1 512a_100000749019_100138425928 [0,1,0,1,0,0|2,0,0]=4 9587 B11R1.484 CC(C)NC(=O)NC1CCC1 512a_100138425928_100000749019 [0,1,0,1,0,0|2,0,0]=4 9588 B11R1.484 CC(C)OC(=O)CN1CCC1 269982a_100000754969_100011215430 [0,1,0,1,0,0|1,0,0]=3 9589 B11R1.484 CC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218427 [0,1,0,1,0,0|1,0,0]=3 9590 B11R1.484 CC(O)CC(=O)CC1COC1 1458a_100000687760_100011218427 [0,1,0,1,0,0|2,0,0]=4 9591 B11R1.484 CN(C)CC(=O)CC1CCC1 1458a_100000750896_100000763275 [0,1,0,1,0,0|2,0,0]=4 9592 B11R1.484 C[C@@H](O)CC(=O)CC1CCC1 1458a_100011933948_100000763275 [0,1,0,1,0,0|1,0,0]=3 9593 B11R1.484 C[C@@H](O)CC(=O)CC1CCO1 1458a_100011933948_100000103362 [0,1,0,1,0,0|2,0,0]=4 9594 B11R1.484 C[C@@H](O)CC(=O)CC1COC1 1458a_100011933948_100010264016 [0,1,0,1,0,0|2,0,0]=4 9595 B11R1.484 C[C@@H](O)CC(=O)NC1CCC1 240690a_100000749019_100011933948 [0,1,0,1,0,0|2,0,0]=4 9596 B11R1.484 C[S+](C)CC(=O)CC1CCC1 1458a_200159257847_100000763275 [0,1,0,1,0,0|2,0,0]=4 9597 B11R1.484 O=C(CC(F)F)CC1CCC1 1458a_100000763092_100011934356 [0,1,0,1,0,0|2,0,0]=4 9598 B11R1.728 C=C(C)CC(=O)CC1(CC1)C 1458a_100000112800_100000748629 [0,1,0,1,0,0|1,0,1]=4 9599 B11R1.728 CC(C)CC(=O)CC1(CC1)C 1458a_100000112800_100000210624 [0,1,0,1,0,0|1,0,0]=3 9600 B11R1.728 CC(C)CC(=O)CC1(CO1)C 1458a_100000210554_100000760498 [0,1,0,1,0,0|2,0,0]=4 9601 B11R1.728 CC(C)CC(=O)NC1(CC1)C 11a_100000757604_100000210554 [0,1,0,1,0,0|2,0,0]=4 9602 B11R1.728 CC(C)CC(=O)NC1(CC1)C 1626a_100000757604_100000210554 [0,1,0,1,0,0|2,0,0]=4 9603 B11R1.728 CC(C)CC(=O)NC1(CC1)C 240690a_100000757604_100000210554 [0,1,0,1,0,0|2,0,0]=4 9604 B11R1.728 CC(C)CC(=O)NC1(CC1)C 527a_100000757604_100000210554 [0,1,0,1,0,0|2,0,0]=4 9605 B11R1.728 CC(C)NC(=O)CC1(CC1)C 11a_100138425928_100000112800 [0,1,0,1,0,0|1,0,0]=3 9606 B11R1.728 CC(C)NC(=O)CC1(CC1)C 1626a_100138425928_100000112800 [0,1,0,1,0,0|1,0,0]=3 9607 B11R1.728 CC(C)NC(=O)CC1(CC1)C 240690a_100138425928_100000112800 [0,1,0,1,0,0|1,0,0]=3 9608 B11R1.728 CC(C)NC(=O)CC1(CC1)C 527a_100138425928_100000112800 [0,1,0,1,0,0|1,0,0]=3 9609 B11R1.728 CC(C)NC(=O)NC1(CC1)C 2708a_100138425928_100000757604 [0,1,0,1,0,0|2,0,0]=4 9610 B11R1.728 CC(C)NC(=O)NC1(CC1)C 273464a_100138425928_100000757604 [0,1,0,1,0,0|2,0,0]=4 9611 B11R1.728 CC(C)NC(=O)NC1(CC1)C 512a_100000757604_100138425928 [0,1,0,1,0,0|2,0,0]=4 9612 B11R1.728 CC(O)CC(=O)CC1(CC1)C 1458a_100000112800_100011218427 [0,1,0,1,0,0|1,0,0]=3 9613 B11R1.728 CC1(CC1)CC(=O)CC(F)F 1458a_100000112800_100011934356 [0,1,0,1,0,0|2,0,0]=4 9614 B11R1.728 C[C@@H](O)CC(=O)CC1(CO1)C 1458a_100011933948_100000760498 [0,1,0,1,0,0|2,0,0]=4 9615 B11R1.728 C[C@@H](O)CC(=O)NC1(CC1)C 240690a_100000757604_100011933948 [0,1,0,1,0,0|2,0,0]=4 9616 B11R1.197 CCC(C)CC(=O)C1(CC1)C 1458a_100000756474_100000748023 [0,1,0,1,0,0|1,0,0]=3 9617 B11R1.197 CCC(C)CC(=O)C1(CC1)F 1458a_100000055089_100000748023 [0,1,0,1,0,0|1,0,0]=3 9618 B11R1.197 CCC(C)CC(=O)C1(CC1)O 1458a_100000241761_100000748023 [0,1,0,1,0,0|1,0,0]=3 9619 B11R1.197 CCC(C)NC(=O)C1(CC1)C 11a_100000209981_100000756474 [0,1,0,1,0,0|2,0,0]=4 9620 B11R1.197 CCC(C)NC(=O)C1(CC1)C 1626a_100000209981_100000756474 [0,1,0,1,0,0|2,0,0]=4 9621 B11R1.197 CCC(C)NC(=O)C1(CC1)C 240690a_100000209981_100000756474 [0,1,0,1,0,0|2,0,0]=4 9622 B11R1.197 CCC(C)NC(=O)C1(CC1)C 527a_100000209981_100000756474 [0,1,0,1,0,0|2,0,0]=4 9623 B11R1.197 CCC(C)NC(=O)C1(CC1)F 11a_100000209981_100000055089 [0,1,0,1,0,0|2,0,0]=4 9624 B11R1.197 CCC(C)NC(=O)C1(CC1)F 1626a_100000209981_100000055089 [0,1,0,1,0,0|2,0,0]=4 9625 B11R1.197 CCC(C)NC(=O)C1(CC1)F 240690a_100000209981_100000055089 [0,1,0,1,0,0|2,0,0]=4 9626 B11R1.197 CCC(C)NC(=O)C1(CC1)F 527a_100000209981_100000055089 [0,1,0,1,0,0|2,0,0]=4 9627 B11R1.197 CCC(C)NC(=O)C1(CC1)O 240690a_100000209981_100000241761 [0,1,0,1,0,0|2,0,0]=4 9628 B11R1.197 CCC(O)CC(=O)C1(CC1)C 1458a_100000756474_100011218378 [0,1,0,1,0,0|2,0,0]=4 9629 B11R1.197 CCC(O)CC(=O)C1(CC1)F 1458a_100000055089_100011218378 [0,1,0,1,0,0|2,0,0]=4 9630 B11R1.197 CCC(O)CC(=O)C1(CC1)O 1458a_100000241761_100011218378 [0,1,0,1,0,0|2,0,0]=4 9631 B11R1.197 CC[C@H](C)CC(=O)C1(CC1)C 1458a_100000756474_100009816398 [0,1,0,1,0,0|1,0,0]=3 9632 B11R1.197 CC[C@H](C)CC(=O)C1(CC1)F 1458a_100000055089_100009816398 [0,1,0,1,0,0|1,0,0]=3 9633 B11R1.197 CC[C@H](C)CC(=O)C1(CC1)O 1458a_100000241761_100009816398 [0,1,0,1,0,0|1,0,0]=3 9634 B11R1.197 C[C@@H](CO)CC(=O)C1(CC1)C 1458a_100000756474_100000059175 [0,1,0,1,0,0|2,0,0]=4 9635 B11R1.197 C[C@@H](CO)CC(=O)C1(CC1)F 1458a_100000055089_100000059175 [0,1,0,1,0,0|2,0,0]=4 9636 B11R1.197 C[C@@H](CO)CC(=O)C1(CC1)O 1458a_100000241761_100000059175 [0,1,0,1,0,0|2,0,0]=4 9637 B11R1.293 C/C=C(\C)/C(=O)CC1CCC1 1458a_100020587367_100000763275 [0,1,0,1,0,0|1,0,1]=4 9638 B11R1.293 CCC(C)C(=O)CC1CCC1 1458a_100000763092_100000758301 [0,1,0,1,0,0|1,0,0]=3 9639 B11R1.293 CCC(C)C(=O)CC1CCC1 1458a_100011192722_100000763275 [0,1,0,1,0,0|1,0,0]=3 9640 B11R1.293 CCC(C)C(=O)CC1CCO1 1458a_100011192722_100000103362 [0,1,0,1,0,0|2,0,0]=4 9641 B11R1.293 CCC(C)C(=O)CC1COC1 1458a_100000687760_100000758301 [0,1,0,1,0,0|2,0,0]=4 9642 B11R1.293 CCC(C)C(=O)CC1COC1 1458a_100011192722_100010264016 [0,1,0,1,0,0|2,0,0]=4 9643 B11R1.293 CCC(C)C(=O)NC1CCC1 11a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 9644 B11R1.293 CCC(C)C(=O)NC1CCC1 1626a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 9645 B11R1.293 CCC(C)C(=O)NC1CCC1 240690a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 9646 B11R1.293 CCC(C)C(=O)NC1CCC1 527a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 9647 B11R1.293 CCC(O)C(=O)CC1CCC1 1458a_100011196387_100000763275 [0,1,0,1,0,0|1,0,0]=3 9648 B11R1.293 CCC(O)C(=O)CC1CCO1 1458a_100011196387_100000103362 [0,1,0,1,0,0|2,0,0]=4 9649 B11R1.293 CCC(O)C(=O)CC1COC1 1458a_100011196387_100010264016 [0,1,0,1,0,0|2,0,0]=4 9650 B11R1.293 CCC(O)C(=O)NC1CCC1 240690a_100000749019_100011196387 [0,1,0,1,0,0|2,0,0]=4 9651 B11R1.293 CCN(C)C(=O)CC1CCC1 11a_100000225621_100000763092 [0,1,0,1,0,0|1,0,0]=3 9652 B11R1.293 CCN(C)C(=O)CC1CCC1 1626a_100000225621_100000763092 [0,1,0,1,0,0|1,0,0]=3 9653 B11R1.293 CCN(C)C(=O)CC1CCC1 240690a_100000225621_100000763092 [0,1,0,1,0,0|1,0,0]=3 9654 B11R1.293 CCN(C)C(=O)CC1CCC1 527a_100000225621_100000763092 [0,1,0,1,0,0|1,0,0]=3 9655 B11R1.293 CCN(C)C(=O)CC1COC1 11a_100000225621_100000687760 [0,1,0,1,0,0|2,0,0]=4 9656 B11R1.293 CCN(C)C(=O)CC1COC1 1626a_100000225621_100000687760 [0,1,0,1,0,0|2,0,0]=4 9657 B11R1.293 CCN(C)C(=O)CN1CCC1 269982a_100000754969_100000738999 [0,1,0,1,0,0|2,0,0]=4 9658 B11R1.293 CCN(C)C(=O)NC1CCC1 273464a_100000749019_100000225621 [0,1,0,1,0,0|2,0,0]=4 9659 B11R1.293 CNC(=O)C(=O)CC1CCC1 1458a_100011218921_100000763275 [0,1,0,1,0,0|2,0,0]=4 9660 B11R1.293 COC(C)C(=O)CC1CCC1 1458a_100000743197_100000763275 [0,1,0,1,0,0|2,0,0]=4 9661 B11R1.293 CSC(C)C(=O)CC1CCC1 1458a_100000149566_100000763275 [0,1,0,1,0,0|2,0,0]=4 9662 B11R1.293 O=C(CC1CCC1)C(O)CO 1458a_100011215603_100000763275 [0,1,0,1,0,0|2,0,0]=4 9663 B11R1.295 CCC(C)C(=O)N1CCC1C 11a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 9664 B11R1.295 CCC(C)C(=O)N1CCC1C 240690a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 9665 B11R1.295 CCC(C)C(=O)N1CCC1C 527a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 9666 B11R1.295 CCC(O)C(=O)N1CCC1C 240690a_100000755817_100011196387 [0,1,0,1,0,0|2,0,0]=4 9667 B11R1.486 CCC(C)C(=O)CC1(CC1)C 1458a_100000112800_100000758301 [0,1,0,1,0,0|1,0,0]=3 9668 B11R1.486 CCC(C)C(=O)CC1(CO1)C 1458a_100011192722_100000760498 [0,1,0,1,0,0|2,0,0]=4 9669 B11R1.486 CCC(C)C(=O)NC1(CC1)C 11a_100000757604_100011192722 [0,1,0,1,0,0|2,0,0]=4 9670 B11R1.486 CCC(C)C(=O)NC1(CC1)C 1626a_100000757604_100011192722 [0,1,0,1,0,0|2,0,0]=4 9671 B11R1.486 CCC(C)C(=O)NC1(CC1)C 240690a_100000757604_100011192722 [0,1,0,1,0,0|2,0,0]=4 9672 B11R1.486 CCC(C)C(=O)NC1(CC1)C 527a_100000757604_100011192722 [0,1,0,1,0,0|2,0,0]=4 9673 B11R1.486 CCC(O)C(=O)CC1(CO1)C 1458a_100011196387_100000760498 [0,1,0,1,0,0|2,0,0]=4 9674 B11R1.486 CCC(O)C(=O)NC1(CC1)C 240690a_100000757604_100011196387 [0,1,0,1,0,0|2,0,0]=4 9675 B11R1.486 CCN(C)C(=O)CC1(CC1)C 11a_100000225621_100000112800 [0,1,0,1,0,0|1,0,0]=3 9676 B11R1.486 CCN(C)C(=O)CC1(CC1)C 1626a_100000225621_100000112800 [0,1,0,1,0,0|1,0,0]=3 9677 B11R1.486 CCN(C)C(=O)CC1(CC1)C 240690a_100000225621_100000112800 [0,1,0,1,0,0|1,0,0]=3 9678 B11R1.486 CCN(C)C(=O)CC1(CC1)C 527a_100000225621_100000112800 [0,1,0,1,0,0|1,0,0]=3 9679 B11R1.486 CCN(C)C(=O)NC1(CC1)C 273464a_100000757604_100000225621 [0,1,0,1,0,0|2,0,0]=4 9680 B11R1.865 CCN(C)C1CCN(C1=O)C 2230a_100000225621_100000755940 [0,1,0,1,0,0|2,0,0]=4 9681 B11R1.865 CCN(C)C1CCN(C1=O)C 269982a_100000225621_100000755940 [0,1,0,1,0,0|2,0,0]=4 9682 B11R2.248 CCOC1CC2CCC1C2 34a_100000211339_100000210202 [0,0,0,2,0,0|1,0,1]=4 9683 B11R2.248 CCOC1CC2CCC1C2 34a_100121572206_100000727232 [0,0,0,2,0,0|1,0,1]=4 9684 B11R2.792 CC1CCN1C(=O)C2CC2 11a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 9685 B11R2.792 CC1CCN1C(=O)C2CC2 240690a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 9686 B11R2.792 CC1CCN1C(=O)C2CC2 527a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 9687 B11R2.863 O=C(CC1CCC1)C2CC2 1458a_100000210395_100000763275 [0,0,0,2,0,0|1,0,0]=3 9688 B11R2.863 O=C(CC1CCC1)C2CO2 1458a_100000701028_100000763275 [0,0,0,2,0,0|2,0,0]=4 9689 B11R2.863 O=C(CC1CCO1)C2CC2 1458a_100000210395_100000103362 [0,0,0,2,0,0|2,0,0]=4 9690 B11R2.863 O=C(CC1COC1)C2CC2 1458a_100000210395_100010264016 [0,0,0,2,0,0|2,0,0]=4 9691 B11R2.863 O=C(CN1CCC1)C2CC2 269982a_100000754969_100000746382 [0,0,0,2,0,0|2,0,0]=4 9692 B11R2.863 O=C(NC1CCC1)C2CC2 11a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 9693 B11R2.863 O=C(NC1CCC1)C2CC2 1626a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 9694 B11R2.863 O=C(NC1CCC1)C2CC2 240690a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 9695 B11R2.863 O=C(NC1CCC1)C2CC2 527a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 9696 B11R2.1893 CC1(CC1)NC(=O)C2CC2 11a_100000757604_100000210395 [0,0,0,2,0,0|2,0,0]=4 9697 B11R2.1893 CC1(CC1)NC(=O)C2CC2 1626a_100000757604_100000210395 [0,0,0,2,0,0|2,0,0]=4 9698 B11R2.1893 CC1(CC1)NC(=O)C2CC2 240690a_100000757604_100000210395 [0,0,0,2,0,0|2,0,0]=4 9699 B11R2.1893 CC1(CC1)NC(=O)C2CC2 527a_100000757604_100000210395 [0,0,0,2,0,0|2,0,0]=4 9700 B11R2.1893 CC1(CO1)CC(=O)C2CC2 1458a_100000210395_100000760498 [0,0,0,2,0,0|2,0,0]=4 9701 B11R2.459 O=C1CCCC1N2CCC2 269982a_100000754969_100000211823 [0,0,0,2,0,0|2,0,0]=4 9702 B11R2.459 O=C1OCCC1N2CCC2 269982a_100000754969_100000211211 [0,0,0,2,0,0|1,0,0]=3 9703 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,0,0,0,1,0|1,0,1]=4 9704 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,0,0,0,1,0|2,0,0]=4 9705 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,0,0,0,1,0|2,0,0]=4 9706 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,0,0,0,1,0|2,0,0]=4 9707 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,0,0,0,1,0|2,0,0]=4 9708 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,0,0,0,1,0|2,0,0]=4 9709 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,0,0,0,1,0|1,0,1]=4 9710 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,1,0|1,0,0]=3 9711 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,1,0|1,0,0]=3 9712 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,0,0,1,0|2,0,0]=4 9713 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,0,0,1,0|2,0,0]=4 9714 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,0,0,1,0|2,0,0]=4 9715 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,0,0,1,0|2,0,0]=4 9716 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,0,0,1,0|2,0,0]=4 9717 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,0,0,1,0|2,0,0]=4 9718 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,0,0,1,0|2,0,0]=4 9719 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,0,0,0,1,0|1,0,0]=3 9720 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,0,0,0,1,0|1,0,0]=3 9721 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,0,0,0,1,0|1,0,0]=3 9722 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,0,0,0,1,0|2,0,0]=4 9723 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,0,0,0,1,0|2,0,0]=4 9724 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,0,0,0,1,0|2,0,0]=4 9725 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,0,0,0,1,0|2,0,0]=4 9726 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,0,0,1,0|2,0,0]=4 9727 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,0,0,1,0|2,0,0]=4 9728 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,0,0,0,1,0|1,0,1]=4 9729 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,0,0,0,1,0|2,0,0]=4 9730 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,0,0,0,1,0|2,0,0]=4 9731 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,0,0,0,1,0|2,0,0]=4 9732 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,0,0,0,1,0|2,0,0]=4 9733 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,0,0,0,1,0|2,0,0]=4 9734 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,0,0,0,1,0|2,0,0]=4 9735 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,0,0,0,1,0|2,0,0]=4 9736 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,0,0,0,1,0|2,0,0]=4 9737 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,0,0,0,1,0|2,0,0]=4 9738 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,0,0,0,1,0|0,0,2]=4 9739 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [1,0,0,0,1,0|0,0,2]=4 9740 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,0,0,1,0|0,0,2]=4 9741 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,0,0,0,1,0|0,0,2]=4 9742 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,0,0,0,1,0|0,0,2]=4 9743 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [1,0,0,0,1,0|1,0,1]=4 9744 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [1,0,0,0,1,0|1,0,1]=4 9745 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,0,0,0,1,0|0,0,0]=2 9746 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,0,0,0,1,0|0,0,0]=2 9747 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,0,0,0,1,0|1,0,0]=3 9748 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,0,0,0,1,0|1,0,0]=3 9749 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,0,0,0,1,0|1,0,0]=3 9750 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,0,0,0,1,0|1,0,0]=3 9751 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,0,0,0,1,0|1,0,0]=3 9752 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,0,0,0,1,0|1,0,0]=3 9753 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,0,0,0,1,0|1,0,0]=3 9754 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,0,0,0,1,0|1,0,0]=3 9755 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,0,0,1,0|1,0,0]=3 9756 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,0,0,0,1,0|2,0,0]=4 9757 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,0,0,0,1,0|1,0,0]=3 9758 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,0,0,0,1,0|1,0,0]=3 9759 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,0,0,0,1,0|1,0,0]=3 9760 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,0,0,0,1,0|1,0,0]=3 9761 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,0,0,0,1,0|1,0,0]=3 9762 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,0,0,0,1,0|1,0,0]=3 9763 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,0,0,0,1,0|1,0,0]=3 9764 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,0,0,0,1,0|1,0,0]=3 9765 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,0,0,0,1,0|1,0,0]=3 9766 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,0,0,0,1,0|1,0,0]=3 9767 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,0,0,0,1,0|1,0,1]=4 9768 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,0,0,0,1,0|1,0,1]=4 9769 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [1,0,0,0,1,0|2,0,0]=4 9770 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [1,0,0,0,1,0|2,0,0]=4 9771 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [1,0,0,0,1,0|2,0,0]=4 9772 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [1,0,0,0,1,0|2,0,0]=4 9773 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [1,0,0,0,1,0|2,0,0]=4 9774 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [1,0,0,0,1,0|2,0,0]=4 9775 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [1,0,0,0,1,0|2,0,0]=4 9776 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [1,0,0,0,1,0|2,0,0]=4 9777 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,0,0,0,1,0|2,0,0]=4 9778 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,0,0,0,1,0|2,0,0]=4 9779 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,0,0,0,1,0|2,0,0]=4 9780 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,0,0,0,1,0|2,0,0]=4 9781 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,0,0,0,1,0|2,0,0]=4 9782 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,0,0,0,1,0|2,0,0]=4 9783 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,0,0,0,1,0|2,0,0]=4 9784 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,0,0,0,1,0|2,0,0]=4 9785 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,0,0,0,1,0|2,0,0]=4 9786 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,0,0,0,1,0|2,0,0]=4 9787 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,0,0,0,1,0|2,0,0]=4 9788 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,0,0,0,1,0|2,0,0]=4 9789 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,0,0,0,1,0|2,0,0]=4 9790 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,0,0,0,1,0|2,0,0]=4 9791 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,0,0,0,1,0|2,0,0]=4 9792 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,0,0,0,1,0|2,0,0]=4 9793 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,0,0,0,1,0|2,0,0]=4 9794 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,0,0,0,1,0|2,0,0]=4 9795 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,0,0,0,1,0|2,0,0]=4 9796 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,0,0,0,1,0|2,0,0]=4 9797 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,0,0,0,1,0|2,0,0]=4 9798 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,0,0,0,1,0|2,0,0]=4 9799 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,0,0,0,1,0|2,0,0]=4 9800 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,0,0,0,1,0|2,0,0]=4 9801 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,0,0,0,1,0|2,0,0]=4 9802 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,0,0,0,1,0|2,0,0]=4 9803 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,0,0,0,1,0|1,0,0]=3 9804 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,0,0,0,1,0|1,0,0]=3 9805 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,0,0,0,1,0|1,0,0]=3 9806 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,0,0,0,1,0|1,0,0]=3 9807 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,0,0,0,1,0|1,0,0]=3 9808 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,0,0,0,1,0|1,0,0]=3 9809 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,0,0,0,1,0|1,0,0]=3 9810 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,0,0,0,1,0|1,0,0]=3 9811 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,0,0,0,1,0|1,0,0]=3 9812 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,0,0,0,1,0|1,0,0]=3 9813 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,0,0,0,1,0|2,0,0]=4 9814 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,0,0,0,1,0|2,0,0]=4 9815 B11R0.174 C#CC(C)NCCC(=O)OCC 2230a_100000707721_100011206558 [0,0,0,0,0,2|0,0,2]=4 9816 B11R0.174 C#CC(C)NCCC(=O)OCC 34a_100000707721_100000765890 [0,0,0,0,0,2|0,0,2]=4 9817 B11R0.174 C#CC(C)SCCC(=O)OCC 62a_200000035995_100000765890 [0,0,0,0,0,2|0,0,2]=4 9818 B11R0.174 C#CC(C)SCOC(=O)OCC 62a_200000035995_100000075025 [0,0,0,0,0,2|0,0,2]=4 9819 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 34a_100009815206_100000765890 [0,0,0,0,0,2|0,0,2]=4 9820 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 7a_100009815206_100011206558 [0,0,0,0,0,2|0,0,2]=4 9821 B11R0.174 C=CC(C)COCC(=O)OCC 34a_100011215527_100000188475 [0,0,0,0,0,2|0,0,2]=4 9822 B11R0.174 C=CC(C)COCC(=O)OCC 7a_100011215527_100000188475 [0,0,0,0,0,2|0,0,2]=4 9823 B11R0.174 C=CC(C)OCCC(=O)OCC 34a_100000695699_100000765890 [0,0,0,0,0,2|0,0,2]=4 9824 B11R0.174 C=CC(C)SCCC(=O)OCC 62a_100011215867_100000765890 [0,0,0,0,0,2|0,0,2]=4 9825 B11R0.174 C=CC(C)SCOC(=O)OCC 62a_100011215867_100000075025 [0,0,0,0,0,2|0,0,2]=4 9826 B11R0.174 C=COC(=O)CNCC(C)CC 2230a_100020588543_100000036128 [0,0,0,0,0,2|0,0,2]=4 9827 B11R0.174 C=COC(=O)CSCC(C)CC 62a_100000036128_100000748023 [0,0,0,0,0,2|0,0,2]=4 9828 B11R0.174 C=COC(=O)CSCC(C)CC 62a_100000748023_100000036128 [0,0,0,0,0,2|0,0,2]=4 9829 B11R0.174 C=COC(=O)CSC[C@@H](C)CC 62a_100000036128_100009816398 [0,0,0,0,0,2|0,0,2]=4 9830 B11R0.174 C=COC(=O)CSC[C@@H](C)CC 62a_100009816398_100000036128 [0,0,0,0,0,2|0,0,2]=4 9831 B11R0.174 CC=CC(=O)NCCC(C)CC 11a_100020591266_100000210699 [0,0,0,0,0,2|1,0,1]=4 9832 B11R0.174 CC=CC(=O)NCCC(C)CC 1626a_100020591266_100000210699 [0,0,0,0,0,2|1,0,1]=4 9833 B11R0.174 CC=CC(=O)NCCC(C)CC 240690a_100020591266_100000210699 [0,0,0,0,0,2|1,0,1]=4 9834 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,0,0,0,0,2|2,0,0]=4 9835 B11R0.174 CCC(C)CCNC(=O)COC 11a_100020591266_100000210968 [0,0,0,0,0,2|2,0,0]=4 9836 B11R0.174 CCC(C)CCNC(=O)COC 1626a_100020591266_100000210968 [0,0,0,0,0,2|2,0,0]=4 9837 B11R0.174 CCC(C)CCNC(=O)COC 240690a_100020591266_100000210968 [0,0,0,0,0,2|2,0,0]=4 9838 B11R0.174 CCC(C)CCNC(=O)COC 527a_100020591266_100000210968 [0,0,0,0,0,2|2,0,0]=4 9839 B11R0.174 CCC(C)CCNC(=O)CSC 11a_100020591266_100000184570 [0,0,0,0,0,2|2,0,0]=4 9840 B11R0.174 CCC(C)CCNC(=O)CSC 1626a_100020591266_100000184570 [0,0,0,0,0,2|2,0,0]=4 9841 B11R0.174 CCC(C)CCNC(=O)CSC 240690a_100020591266_100000184570 [0,0,0,0,0,2|2,0,0]=4 9842 B11R0.174 CCC(C)CCNC(=O)CSC 527a_100020591266_100000184570 [0,0,0,0,0,2|2,0,0]=4 9843 B11R0.174 CCC(C)CCNC(=O)NNC 273464a_100020591266_100016993582 [0,0,0,0,0,2|2,0,0]=4 9844 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100016993582_100020591266 [0,0,0,0,0,2|2,0,0]=4 9845 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100020591266_100016993582 [0,0,0,0,0,2|2,0,0]=4 9846 B11R0.174 CCC(C)CNCC(=O)NCO 2230a_100020588543_100000185155 [0,0,0,0,0,2|2,0,0]=4 9847 B11R0.174 CCC(C)CSCC(=O)NCO 62a_100000185155_100000748023 [0,0,0,0,0,2|2,0,0]=4 9848 B11R0.174 CCC(C)CSCC(=O)NCO 62a_100000748023_100000185155 [0,0,0,0,0,2|2,0,0]=4 9849 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,0,0,0,0,2|2,0,0]=4 9850 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,0,0,0,0,2|1,0,0]=3 9851 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,0,0,0,0,2|2,0,0]=4 9852 B11R0.174 CCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747444 [0,0,0,0,0,2|2,0,0]=4 9853 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,0,0,0,0,2|1,0,0]=3 9854 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,0,0,0,0,2|1,0,0]=3 9855 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,0,0,0,0,2|1,0,0]=3 9856 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,0,0,0,0,2|2,0,0]=4 9857 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,0,0,0,0,2|2,0,0]=4 9858 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,0,0,0,0,2|1,0,0]=3 9859 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,0,0,0,0,2|1,0,0]=3 9860 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,0,0,0,0,2|2,0,0]=4 9861 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,0,0,0,0,2|2,0,0]=4 9862 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,0,0,0,0,2|1,0,0]=3 9863 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,0,0,0,0,2|1,0,0]=3 9864 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,0,0,0,0,2|1,0,0]=3 9865 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,0,0,0,0,2|1,0,0]=3 9866 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,0,0,0,0,2|2,0,0]=4 9867 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,0,0,0,0,2|2,0,0]=4 9868 B11R0.174 CCCC(=O)NN=CC(C)CC 4a_100000189770_100000243153 [0,0,0,0,0,2|1,0,1]=4 9869 B11R0.174 CCCC(=O)NNCC(O)CC 22a_100015206393_100000211992 [0,0,0,0,0,2|2,0,0]=4 9870 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [0,0,0,0,0,2|1,0,0]=3 9871 B11R0.174 CCCC(=O)OCN[C@H](C)CO 2230a_100000737577_100000034017 [0,0,0,0,0,2|2,0,0]=4 9872 B11R0.174 CCCC(=O)OCOC(C)CF 34a_100016041109_100000034017 [0,0,0,0,0,2|2,0,0]=4 9873 B11R0.174 CCCC(=O)OCOC(C)CN 34a_100000210904_100000034017 [0,0,0,0,0,2|2,0,0]=4 9874 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [0,0,0,0,0,2|1,0,0]=3 9875 B11R0.174 CCCC(=O)OCSC(C)CO 62a_100012180447_100000034017 [0,0,0,0,0,2|2,0,0]=4 9876 B11R0.174 CCCC(=O)OCSC(C)OC 62a_100009879195_100000034017 [0,0,0,0,0,2|2,0,0]=4 9877 B11R0.174 CCCC(=O)OCS[C@H](C)CO 62a_100016084084_100000034017 [0,0,0,0,0,2|2,0,0]=4 9878 B11R0.174 CCNC(=O)CCNC(C)CC 2230a_100000209981_100000737597 [0,0,0,0,0,2|1,0,0]=3 9879 B11R0.174 CCNC(=O)CCNC(C)CC 34a_100025743525_100011215416 [0,0,0,0,0,2|1,0,0]=3 9880 B11R0.174 CCNC(=O)CCNC(C)CO 34a_100025743525_100012180447 [0,0,0,0,0,2|2,0,0]=4 9881 B11R0.174 CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737597 [0,0,0,0,0,2|2,0,0]=4 9882 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [0,0,0,0,0,2|1,0,0]=3 9883 B11R0.174 CCNC(=O)CCOC(C)CF 7a_100016041109_100000737597 [0,0,0,0,0,2|2,0,0]=4 9884 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000737597_100000758301 [0,0,0,0,0,2|1,0,0]=3 9885 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000758301_100000737597 [0,0,0,0,0,2|1,0,0]=3 9886 B11R0.174 CCNC(=O)CCSC(C)CO 62a_100012180447_100000737597 [0,0,0,0,0,2|2,0,0]=4 9887 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100000737597_100009879195 [0,0,0,0,0,2|2,0,0]=4 9888 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100009879195_100000737597 [0,0,0,0,0,2|2,0,0]=4 9889 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100000737597_100016084084 [0,0,0,0,0,2|2,0,0]=4 9890 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737597 [0,0,0,0,0,2|2,0,0]=4 9891 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100016988866_100000748023 [0,0,0,0,0,2|1,0,0]=3 9892 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183381 [0,0,0,0,0,2|1,0,0]=3 9893 B11R0.174 CCNC(=O)CNCC(C)CC 270004a_100016988866_100000243153 [0,0,0,0,0,2|1,0,0]=3 9894 B11R0.174 CCNC(=O)CNCC(C)CO 34a_100000744482_100000183381 [0,0,0,0,0,2|2,0,0]=4 9895 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100011218483_100000183381 [0,0,0,0,0,2|2,0,0]=4 9896 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100016988866_100011218378 [0,0,0,0,0,2|2,0,0]=4 9897 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 2230a_100016988866_100009816398 [0,0,0,0,0,2|1,0,0]=3 9898 B11R0.174 CCNC(=O)CNC[C@@H](C)CO 2230a_100016988866_100000059175 [0,0,0,0,0,2|2,0,0]=4 9899 B11R0.174 CCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183381 [0,0,0,0,0,2|2,0,0]=4 9900 B11R0.174 CCNC(=O)COCC(C)CN 34a_100000744482_100000183381 [0,0,0,0,0,2|2,0,0]=4 9901 B11R0.174 CCNC(=O)COCC(C)OC 34a_100000690652_100000183381 [0,0,0,0,0,2|2,0,0]=4 9902 B11R0.174 CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183381 [0,0,0,0,0,2|1,0,0]=3 9903 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000183381_100000748023 [0,0,0,0,0,2|1,0,0]=3 9904 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000748023_100000183381 [0,0,0,0,0,2|1,0,0]=3 9905 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100000183381_100011218378 [0,0,0,0,0,2|2,0,0]=4 9906 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100011218378_100000183381 [0,0,0,0,0,2|2,0,0]=4 9907 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100000183381_100009816398 [0,0,0,0,0,2|1,0,0]=3 9908 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183381 [0,0,0,0,0,2|1,0,0]=3 9909 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183381 [0,0,0,0,0,2|2,0,0]=4 9910 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000183381_100000059175 [0,0,0,0,0,2|2,0,0]=4 9911 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [0,0,0,0,0,2|1,0,0]=3 9912 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [0,0,0,0,0,2|1,0,0]=3 9913 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [0,0,0,0,0,2|1,0,0]=3 9914 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [0,0,0,0,0,2|1,0,0]=3 9915 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [0,0,0,0,0,2|1,0,0]=3 9916 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [0,0,0,0,0,2|1,0,0]=3 9917 B11R0.174 CCNC(=O)NCCC(C)CO 2708a_100015525214_106354213184 [0,0,0,0,0,2|2,0,0]=4 9918 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_100015525214_106354213184 [0,0,0,0,0,2|2,0,0]=4 9919 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_106354213184_100015525214 [0,0,0,0,0,2|2,0,0]=4 9920 B11R0.174 CCNC(=O)NCCC(C)CO 512a_100015525214_106354213184 [0,0,0,0,0,2|2,0,0]=4 9921 B11R0.174 CCNC(=O)NCCC(C)CO 512a_106354213184_100015525214 [0,0,0,0,0,2|2,0,0]=4 9922 B11R0.174 CCNC(=O)NNCC(O)CC 273464a_100015525214_100015206393 [0,0,0,0,0,2|2,0,0]=4 9923 B11R0.174 CCNC(=O)NNCC(O)CC 512a_100015206393_100015525214 [0,0,0,0,0,2|2,0,0]=4 9924 B11R0.174 CCNC(=O)NNCC(O)CC 512a_100015525214_100015206393 [0,0,0,0,0,2|2,0,0]=4 9925 B11R0.174 CCOC(=O)/C=C/CN(C)CC 2230a_100000225621_100016267167 [0,0,0,0,0,2|1,0,0]=3 9926 B11R0.174 CCOC(=O)/C=C/CN(C)CC 269982a_100000225621_100016267167 [0,0,0,0,0,2|1,0,0]=3 9927 B11R0.174 CCOC(=O)C=NNC(C)CC 4a_100000718999_100000742314 [0,0,0,0,0,2|0,0,1]=3 9928 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,0,0,0,0,2|1,0,1]=4 9929 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,0,0,0,0,2|1,0,1]=4 9930 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,0,0,0,0,2|1,0,0]=3 9931 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,0,0,0,0,2|1,0,0]=3 9932 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,0,0,0,0,2|1,0,1]=4 9933 B11R0.174 CCOC(=O)CCNC(C)C#N 2230a_100000737613_100011206558 [0,0,0,0,0,2|1,0,1]=4 9934 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,0,0,0,0,2|0,0,0]=2 9935 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,0,0,0,0,2|1,0,0]=3 9936 B11R0.174 CCOC(=O)CCOC(C)C#N 34a_100011218135_100000765890 [0,0,0,0,0,2|1,0,1]=4 9937 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,0,0,0,0,2|0,0,0]=2 9938 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [0,0,0,0,0,2|1,0,0]=3 9939 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [0,0,0,0,0,2|1,0,0]=3 9940 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [0,0,0,0,0,2|1,0,0]=3 9941 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000703298_100000765890 [0,0,0,0,0,2|1,0,1]=4 9942 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000765890_100000703298 [0,0,0,0,0,2|1,0,1]=4 9943 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,0,0,0,0,2|0,0,0]=2 9944 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,0,0,0,0,2|0,0,0]=2 9945 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,0,0,0,0,2|1,0,0]=3 9946 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [0,0,0,0,0,2|1,0,0]=3 9947 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [0,0,0,0,0,2|1,0,0]=3 9948 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,0,0,0,0,2|1,0,0]=3 9949 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,0,0,0,0,2|1,0,0]=3 9950 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,0,0,0,0,2|0,0,0]=2 9951 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,0,0,0,0,2|1,0,0]=3 9952 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [0,0,0,0,0,2|1,0,0]=3 9953 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [0,0,0,0,0,2|1,0,0]=3 9954 B11R0.174 CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000188475 [0,0,0,0,0,2|2,0,0]=4 9955 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [0,0,0,0,0,2|2,0,0]=4 9956 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,0,0,0,0,2|1,0,1]=4 9957 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [0,0,0,0,0,2|1,0,0]=3 9958 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [0,0,0,0,0,2|1,0,0]=3 9959 B11R0.174 CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000188475 [0,0,0,0,0,2|2,0,0]=4 9960 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,0,0,0,0,2|0,0,0]=2 9961 B11R0.174 CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000188475 [0,0,0,0,0,2|2,0,0]=4 9962 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,0,0,0,0,2|1,0,1]=4 9963 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,0,0,0,0,2|1,0,1]=4 9964 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,0,0,0,0,2|0,0,0]=2 9965 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,0,0,0,0,2|0,0,0]=2 9966 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [0,0,0,0,0,2|1,0,0]=3 9967 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [0,0,0,0,0,2|1,0,0]=3 9968 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [0,0,0,0,0,2|2,0,0]=4 9969 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [0,0,0,0,0,2|2,0,0]=4 9970 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,0,0,0,0,2|0,0,0]=2 9971 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,0,0,0,0,2|0,0,0]=2 9972 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,0,0,0,0,2|1,0,0]=3 9973 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,0,0,0,0,2|1,0,0]=3 9974 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100000188475_100015614560 [0,0,0,0,0,2|2,0,0]=4 9975 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000188475 [0,0,0,0,0,2|2,0,0]=4 9976 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [0,0,0,0,0,2|2,0,0]=4 9977 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [0,0,0,0,0,2|2,0,0]=4 9978 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,0,0,0,0,2|1,0,1]=4 9979 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [0,0,0,0,0,2|1,0,0]=3 9980 B11R0.174 CCOC(=O)OCSC(C)C#N 62a_100000703298_100000075025 [0,0,0,0,0,2|1,0,1]=4 9981 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [0,0,0,0,0,2|0,0,0]=2 9982 B11R0.174 CCOC(=O)OCSC(C)CO 62a_100012180447_100000075025 [0,0,0,0,0,2|1,0,0]=3 9983 B11R0.174 CCOC(=O)OCSC(C)OC 62a_100009879195_100000075025 [0,0,0,0,0,2|1,0,0]=3 9984 B11R0.174 CCOC(=O)OCS[C@H](C)CO 62a_100016084084_100000075025 [0,0,0,0,0,2|1,0,0]=3 9985 B11R0.174 CC[C@H](C)COCC(=O)NCO 7a_100009816381_100000185155 [0,0,0,0,0,2|2,0,0]=4 9986 B11R0.174 CC[C@H](C)CSCC(=O)NCO 62a_100000185155_100009816398 [0,0,0,0,0,2|2,0,0]=4 9987 B11R0.174 CC[C@H](C)CSCC(=O)NCO 62a_100009816398_100000185155 [0,0,0,0,0,2|2,0,0]=4