0 B8R0.3 C#CC(C)C(=O)C#CC 1458a_100000763181_200000035995 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.3 C#CC(C)C(=O)C=CC 1458a_100000210699_200000035995 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.3 C#CC(C)C(=O)CCO 1458a_100011216618_200000035995 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.3 C#CC(C)C(=O)COC 1458a_100000210968_200000035995 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.3 C#CC(C)C(=O)CSC 1458a_100000184570_200000035995 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.3 C#CCC(=O)C(C)OC 1458a_100000743197_100000184674 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.3 C#CCC(=O)C(C)SC 1458a_100000149566_100000184674 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.3 C#CCC(=O)N(C)CC 1626a_100000225621_100011220946 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.3 C#CCC(=O)N(C)CC 527a_100000225621_100011220946 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.3 C=CC(C)C(=O)NNC 22a_100016993582_100011216780 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,0,0,0,0,0|1,0,2]=3 26 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,0,0,0,0,0|1,0,2]=3 27 B8R0.3 C=CCC(=O)C(C)OC 1458a_100000743197_100000210623 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,0,0,0,0,0|1,0,3]=4 35 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,0,0,0,0,0|1,0,3]=4 36 B8R0.3 CC#CC(=O)C(C)C#N 1458a_100000763181_100000703298 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,0,0,0,0,0|1,0,1]=2 38 B8R0.3 CC(C#N)C(=O)CCF 1458a_100000753662_100011217306 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.3 CC(C#N)C(=O)CCO 1458a_100000753662_100000211926 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.3 CC(C#N)C(=O)CCO 1458a_100011216618_100000703298 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.3 CC=CC(=O)C(C)C#N 1458a_100000210699_100000703298 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,0,0,0,0,0|1,0,1]=2 44 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,0,0,0,0,0|2,0,1]=3 45 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,0,0,0,0,0|2,0,1]=3 46 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,0,0,0,0,0|2,0,1]=3 47 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,0,0,0,0,0|2,0,1]=3 48 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,0,0,0,0,0|2,0,1]=3 49 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,0,0,0,0,0|2,0,1]=3 50 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,0,0,0,0,0|2,0,1]=3 51 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,0,0,0,0,0|2,0,1]=3 52 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,0,0,0,0,0|2,0,0]=2 53 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,0,0,0,0,0|2,0,0]=2 54 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,0,0,0,0,0|2,0,0]=2 55 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,0,0,0,0,0|2,0,0]=2 56 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,0,0,0,0,0|2,0,0]=2 57 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,0,0,0,0,0|2,0,0]=2 58 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,0,0,0,0,0|2,0,1]=3 59 B8R0.3 CCC(C)N(C)CCF 2230a_100000741768_100011217306 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.3 CCC(C)N(C)CCF 269982a_100000741768_100011217306 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.3 CCC(C)N(C)CCO 2230a_100000210263_100000758301 [0,0,0,0,0,0|4,0,0]=4 62 B8R0.3 CCC(C)N(C)CCO 2230a_100000741768_100000211926 [0,0,0,0,0,0|4,0,0]=4 63 B8R0.3 CCC(C)N(C)CCO 269982a_100000210263_100000758301 [0,0,0,0,0,0|4,0,0]=4 64 B8R0.3 CCC(C)N(C)CCO 269982a_100000741768_100000211926 [0,0,0,0,0,0|4,0,0]=4 65 B8R0.3 CCC(C)N(C)COC 2230a_100000741768_100000766300 [0,0,0,0,0,0|4,0,0]=4 66 B8R0.3 CCC(C)N(C)COC 269982a_100000741768_100000766300 [0,0,0,0,0,0|4,0,0]=4 67 B8R0.3 CCC(C)N(C)CSC 2230a_100000741768_100011218213 [0,0,0,0,0,0|4,0,0]=4 68 B8R0.3 CCC(C)N(C)CSC 269982a_100000741768_100011218213 [0,0,0,0,0,0|4,0,0]=4 69 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,0,0,0,0,0|2,0,1]=3 75 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,0,0,0,0,0|2,0,1]=3 76 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,0,0,0,0,0|1,0,0]=1 77 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,0,0,0,0,0|1,0,0]=1 78 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,0,0,0,0,0|2,0,0]=2 79 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,0,0,0,0,0|2,0,0]=2 80 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,0,0,0,0,0|2,0,0]=2 81 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,0,0,0,0,0|3,0,0]=3 82 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,0,0,0,0,0|2,0,0]=2 83 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,0,0,0,0,0|2,0,0]=2 84 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,0,0,0,0,0|2,0,0]=2 85 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,0,0,0,0,0|2,0,0]=2 86 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,0,0,0,0,0|3,0,1]=4 93 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,0,0,0,0,0|3,0,0]=3 94 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,0,0,0,0,0|3,0,0]=3 95 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,0,0,0,0,0|3,0,0]=3 96 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,0,0,0,0,0|3,0,0]=3 97 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,0,0,0,0,0|3,0,0]=3 98 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,0,0,0,0,0|3,0,0]=3 99 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,0,0,0,0,0|4,0,0]=4 100 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,0,0,0,0,0|4,0,0]=4 102 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,0,0,0,0,0|4,0,0]=4 103 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,0,0,0,0,0|4,0,0]=4 104 B8R0.3 CCCN(C)C(C)OC 269982a_100000747261_100009879195 [0,0,0,0,0,0|4,0,0]=4 105 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,0,0,0,0,0|4,0,0]=4 106 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,0,0,0,0,0|3,0,0]=3 107 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,0,0,0,0,0|3,0,0]=3 108 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,0,0,0,0,0|4,0,0]=4 109 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,0,0,0,0,0|4,0,0]=4 110 B8R0.3 CCN(C)C(=O)C=CBr 1626a_100000225621_100016273825 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.3 CCN(C)C(=O)C=CBr 240690a_100000225621_100016273825 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.3 CCN(C)C(=O)C=CCl 11a_100000225621_200016279998 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.3 CCN(C)C(=O)C=CCl 1626a_100000225621_200016279998 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.3 CCN(C)C(=O)C=CCl 240690a_100000225621_200016279998 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.3 CCN(C)C(=O)C=CI 1626a_100000225621_100016256311 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.3 CCN(C)C(=O)CC#N 1626a_100000225621_100051588842 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.3 CCN(C)C(=O)CC#N 240690a_100000225621_100051588842 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,0,0,0,0,0|3,0,0]=3 119 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,0,0,0,0,0|3,0,0]=3 120 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,0,0,0,0,0|3,0,0]=3 123 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,0,0,0,0,0|3,0,0]=3 125 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,0,0,0,0,0|3,0,0]=3 126 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,0,0,0,0,0|3,0,0]=3 127 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,0,0,0,0,0|3,0,0]=3 128 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,0,0,0,0,0|3,0,0]=3 129 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,0,0,0,0,0|3,0,0]=3 130 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,0,0,0,0,0|3,0,0]=3 131 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,0,0,0,0,0|3,0,0]=3 132 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,0,0,0,0,0|3,0,0]=3 133 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,0,0,0,0,0|3,0,0]=3 134 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,0,0,0,0,0|3,0,0]=3 135 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,0,0,0,0,0|2,0,1]=3 136 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,0,0,0,0,0|3,0,1]=4 138 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,0,0,0,0,0|3,0,1]=4 139 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,0,0,0,0,0|3,0,1]=4 140 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,0,0,0,0,0|3,0,1]=4 141 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,0,0,0,0,0|3,0,1]=4 142 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,0,0,0,0,0|3,0,1]=4 145 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,0,0,0,0,0|2,0,1]=3 146 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,0,0,0,0,0|2,0,1]=3 147 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,0,0,0,0,0|2,0,1]=3 148 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,0,0,0,0,0|1,0,0]=1 149 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,0,0,0,0,0|1,0,0]=1 150 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,0,0,0,0,0|1,0,0]=1 151 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,0,0,0,0,0|2,0,0]=2 152 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,0,0,0,0,0|2,0,0]=2 153 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,0,0,0,0,0|2,0,0]=2 154 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,0,0,0,0,0|2,0,0]=2 155 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,0,0,0,0,0|2,0,0]=2 156 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,0,0,0,0,0|2,0,0]=2 157 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,0,0,0,0,0|2,0,0]=2 158 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,0,0,0,0,0|2,0,0]=2 159 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,0,0,0,0,0|2,0,0]=2 160 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,0,0,0,0,0|2,0,0]=2 161 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,0,0,0,0,0|2,0,0]=2 162 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,0,0,0,0,0|2,0,0]=2 163 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,0,0,0,0,0|2,0,0]=2 164 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,0,0,0,0,0|2,0,0]=2 165 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,0,0,0,0,0|2,0,0]=2 166 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,0,0,0,0,0|2,0,0]=2 167 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,0,0,0,0,0|2,0,0]=2 168 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,0,0,0,0,0|2,0,0]=2 169 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,0,0,0,0,0|2,0,0]=2 170 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,0,0,0,0,0|3,0,0]=3 171 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,0,0,0,0,0|2,0,0]=2 172 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,0,0,0,0,0|2,0,0]=2 173 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,0,0,0,0,0|2,0,1]=3 174 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,0,0,0,0,0|2,0,1]=3 175 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,0,0,0,0,0|2,0,1]=3 176 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,0,0,0,0,0|2,0,1]=3 177 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,0,0,0,0,0|2,0,1]=3 178 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,0,0,0,0,0|1,0,0]=1 179 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,0,0,0,0,0|1,0,0]=1 180 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,0,0,0,0,0|1,0,0]=1 181 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,0,0,0,0,0|1,0,0]=1 182 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,0,0,0,0,0|1,0,0]=1 183 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,0,0,0,0,0|1,0,0]=1 184 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,0,0,0,0,0|1,0,0]=1 185 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,0,0,0,0,0|1,0,0]=1 186 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,0,0,0,0,0|2,0,0]=2 187 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,0,0,0,0,0|2,0,0]=2 188 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,0,0,0,0,0|2,0,0]=2 189 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,0,0,0,0,0|2,0,0]=2 190 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,0,0,0,0,0|2,0,0]=2 191 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,0,0,0,0,0|2,0,0]=2 192 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,0,0,0,0,0|2,0,0]=2 193 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,0,0,0,0,0|2,0,0]=2 194 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,0,0,0,0,0|1,0,0]=1 195 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,0,0,0,0,0|1,0,0]=1 196 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,0,0,0,0,0|2,0,2]=4 197 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,0,0,0,0,0|1,0,1]=2 198 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,0,0,0,0,0|1,1,0]=2 199 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,0,0,0,0,0|1,1,0]=2 200 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,0,0,0,0,0|4,0,0]=4 201 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,0,0,0,0,0|4,0,0]=4 202 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,0,0,0,0,0|4,0,0]=4 203 B8R0.3 CNNC(=O)C(C)C#N 22a_100016993582_100000753662 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,0,0,0,0,0|3,0,0]=3 205 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,0,0,0,0,0|3,0,0]=3 206 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,0,0,0,0,0|4,0,0]=4 207 B8R0.3 COC(C)C(=O)CC#N 1458a_100000743197_100011214920 [0,0,0,0,0,0|3,0,1]=4 208 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,0,0,0,0,0|3,0,0]=3 209 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,0,0,0,0,0|3,0,0]=3 210 B8R0.3 COCC(=O)C(C)C#N 1458a_100000210968_100000703298 [0,0,0,0,0,0|3,0,1]=4 211 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,0,0,0,0,0|4,0,0]=4 212 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,0,0,0,0,0|4,0,0]=4 213 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,0,0,0,0,0|4,0,0]=4 214 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,0,0,0,0,0|4,0,0]=4 215 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,0,0,0,0,0|4,0,0]=4 216 B8R0.3 CSC(C)C(=O)CC#N 1458a_100000149566_100011214920 [0,0,0,0,0,0|3,0,1]=4 217 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,0,0,0,0,0|3,0,0]=3 218 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,0,0,0,0,0|3,0,0]=3 219 B8R0.3 CSCC(=O)C(C)C#N 1458a_100000184570_100000703298 [0,0,0,0,0,0|3,0,1]=4 220 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,0,0,0,0,0|4,0,0]=4 221 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,0,0,0,0,0|4,0,0]=4 222 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,0,0,0,0|0,0,3]=4 223 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,0,0,0,0|0,0,3]=4 224 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [1,0,0,0,0,0|2,0,1]=4 225 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [1,0,0,0,0,0|2,0,1]=4 226 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [1,0,0,0,0,0|2,0,1]=4 227 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [1,0,0,0,0,0|2,0,1]=4 228 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [1,0,0,0,0,0|2,0,1]=4 229 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [1,0,0,0,0,0|2,0,1]=4 230 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,0,0,0,0,0|2,0,1]=4 231 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,0,0,0,0,0|2,0,1]=4 232 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,0,0,0,0,0|2,0,1]=4 233 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,0,0,0,0,0|2,0,1]=4 234 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,0,0,0,0,0|1,1,1]=4 235 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,0,0,0,0,0|1,1,1]=4 236 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [1,0,0,0,0,0|3,0,0]=4 237 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,0,0,0,0,0|3,0,0]=4 239 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,0,0,0,0,0|3,0,0]=4 240 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,0,0,0,0,0|3,0,0]=4 241 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [1,0,0,0,0,0|3,0,0]=4 242 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [1,0,0,0,0,0|3,0,0]=4 243 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,0,0,0,0,0|3,0,0]=4 244 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,0,0,0,0,0|3,0,0]=4 245 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,0,0,0,0,0|3,0,0]=4 246 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,0,0,0,0,0|3,0,0]=4 247 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,0,0,0,0,0|3,0,0]=4 248 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,0,0,0,0,0|3,0,0]=4 249 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,0,0,0,0,0|3,0,0]=4 250 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,0,0,0,0,0|3,0,0]=4 251 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,0,0,0,0,0|3,0,0]=4 252 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,0,0,0,0,0|3,0,0]=4 253 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,0,0,0,0,0|3,0,0]=4 254 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,0,0,0,0,0|3,0,0]=4 255 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|2,0,1]=4 256 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|2,0,1]=4 257 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 258 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|2,0,1]=4 259 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|2,0,1]=4 260 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 261 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|2,0,1]=4 262 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 263 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|2,0,1]=4 264 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 265 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 266 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 267 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|2,0,1]=4 268 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|2,0,1]=4 269 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|2,0,1]=4 270 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|2,0,1]=4 271 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|2,0,1]=4 272 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|2,0,1]=4 273 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|2,0,1]=4 274 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|2,0,1]=4 275 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|2,0,1]=4 276 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|2,0,1]=4 277 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|2,0,1]=4 278 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|2,0,1]=4 279 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,0,0,0,0|2,0,0]=3 280 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,0,0,0,0,0|3,0,0]=4 281 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,0,0,0,0|2,0,0]=3 282 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,0,0,0,0|2,0,0]=3 283 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,0,0,0,0,0|3,0,0]=4 284 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,0,0,0,0,0|3,0,0]=4 285 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,0,0,0,0,0|3,0,0]=4 286 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,0,0,0,0,0|3,0,0]=4 287 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,0,0,0,0,0|2,0,0]=3 288 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,0,0,0,0,0|2,0,0]=3 289 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,0,0,0,0,0|3,0,0]=4 290 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,0,0,0,0,0|3,0,0]=4 291 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,0,0,0,0,0|3,0,0]=4 292 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,0,0,0,0,0|3,0,0]=4 293 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,0,0,0,0,0|3,0,0]=4 294 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,0,0,0,0,0|1,0,1]=3 295 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,0,0,0,0,0|1,0,1]=3 296 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,0,0,0,0,0|1,0,1]=3 297 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,0,0,0,0,0|2,0,1]=4 298 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,0,0,0,0,0|2,0,1]=4 299 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,0,0,0,0,0|2,0,1]=4 300 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,0,0,0,0,0|1,0,1]=3 301 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,0,0,0,0,0|2,0,1]=4 302 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,0,0,0,0,0|2,0,1]=4 303 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|1,0,2]=4 304 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|1,0,2]=4 305 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,0,0,0,0,0|0,0,1]=2 306 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,0,0,0,0,0|1,0,1]=3 307 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,0,0,0,0,0|1,0,1]=3 308 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,0,0,0,0,0|1,0,1]=3 309 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,0,0,0,0,0|1,0,1]=3 310 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,0,0,0,0,0|1,0,1]=3 311 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,0,0,0,0,0|1,0,1]=3 312 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [1,0,0,0,0,0|2,0,1]=4 313 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,0,0,0,0,0|1,0,1]=3 314 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,0,0,0,0,0|2,0,1]=4 315 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,0,0,0,0,0|1,0,1]=3 316 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,0,0,0,0,0|0,0,1]=2 317 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,0,0,0,0,0|0,0,1]=2 318 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,0,0,0,0,0|1,0,1]=3 319 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,0,0,0,0,0|2,0,1]=4 320 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,0,0,0,0,0|2,0,1]=4 321 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [1,0,0,0,0,0|2,0,1]=4 322 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,0,0,0,0,0|0,1,1]=3 323 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,0,0,0,0,0|0,1,1]=3 324 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,0,0,0,0,0|1,1,1]=4 325 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,0,0,0,0,0|1,1,1]=4 326 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,0,0,0,0,0|1,1,1]=4 327 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,0,0,0,0,0|0,1,1]=3 328 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,0,0,0,0,0|0,1,1]=3 329 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,0,0,0,0,0|1,1,1]=4 330 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,0,0,0,0,0|1,1,1]=4 331 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [1,0,0,0,0,0|1,0,1]=3 332 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,0,0,0,0,0|1,1,1]=4 333 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,0,0,0,0,0|1,1,1]=4 334 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [1,0,0,0,0,0|2,0,1]=4 335 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [1,0,0,0,0,0|1,0,2]=4 336 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [1,0,0,0,0,0|1,0,2]=4 337 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,0,0,0,0|1,0,2]=4 338 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,0,0,0,0|1,0,2]=4 339 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,0,0,0,0,0|1,0,2]=4 340 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,0,0,0,0,0|1,0,2]=4 341 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,0,0,0,0,0|1,0,1]=3 342 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [1,0,0,0,0,0|2,0,1]=4 343 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [1,0,0,0,0,0|2,0,1]=4 344 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [1,0,0,0,0,0|2,0,1]=4 345 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [1,0,0,0,0,0|2,0,1]=4 346 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [1,0,0,0,0,0|2,0,1]=4 347 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,0,0,0,0,0|2,0,0]=3 348 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,0,0,0,0,0|2,0,0]=3 349 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,0,0,0,0,0|2,0,0]=3 350 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,0,0,0,0,0|2,0,0]=3 351 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,0,0,0,0,0|2,0,0]=3 352 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,0,0,0,0,0|3,0,0]=4 354 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,0,0,0,0,0|3,0,0]=4 355 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,0,0,0,0,0|1,0,1]=3 356 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [1,0,0,0,0,0|2,0,1]=4 357 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,0,0|1,0,0]=2 360 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,0,0|1,0,0]=2 361 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,0,0,0,0|2,0,0]=3 362 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,0,0,0,0,0|3,0,0]=4 363 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,0,0,0,0|2,0,0]=3 364 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,0,0,0,0|2,0,0]=3 365 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,0,0,0,0|2,0,0]=3 366 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,0,0,0,0|2,0,0]=3 367 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,0,0,0,0|2,0,0]=3 368 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,0,0,0,0|2,0,0]=3 369 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,0,0,0,0,0|3,0,0]=4 370 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,0,0,0,0,0|3,0,0]=4 371 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,0,0,0,0,0|3,0,0]=4 372 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,0,0,0,0,0|3,0,0]=4 373 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,0,0,0,0,0|3,0,0]=4 374 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,0,0,0,0,0|3,0,0]=4 375 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,0,0,0,0,0|3,0,0]=4 376 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,0,0,0,0|2,0,1]=4 378 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,0,0,0,0,0|1,0,0]=2 379 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,0,0,0,0,0|1,0,0]=2 380 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,0,0,0,0,0|1,0,0]=2 381 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,0,0,0,0,0|2,0,0]=3 382 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,0,0,0,0,0|2,0,0]=3 383 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,0,0,0,0,0|2,0,0]=3 384 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [1,0,0,0,0,0|3,0,0]=4 385 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [1,0,0,0,0,0|3,0,0]=4 386 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [1,0,0,0,0,0|3,0,0]=4 387 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,0,0,0,0,0|3,0,0]=4 388 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,0,0,0,0,0|2,0,0]=3 389 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,0,0,0,0|2,0,0]=3 390 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,0,0,0,0|2,0,0]=3 391 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,0,0,0,0,0|1,0,1]=3 393 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,0,0,0,0,0|3,0,0]=4 394 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [1,0,0,0,0,0|3,0,0]=4 395 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,0,0,0,0,0|3,0,0]=4 396 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,0,0,0,0,0|3,0,0]=4 397 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,0,0,0,0,0|2,0,0]=3 398 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,0,0,0,0,0|2,0,0]=3 399 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,0,0,0,0,0|2,0,0]=3 400 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [1,0,0,0,0,0|3,0,0]=4 401 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [1,0,0,0,0,0|3,0,0]=4 402 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [1,0,0,0,0,0|3,0,0]=4 403 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [1,0,0,0,0,0|3,0,0]=4 404 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,0,0,0,0,0|2,0,0]=3 405 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [1,0,0,0,0,0|3,0,0]=4 406 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [1,0,0,0,0,0|3,0,0]=4 407 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [1,0,0,0,0,0|3,0,0]=4 408 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,0,0,0,0,0|2,0,0]=3 409 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,0,0,0,0,0|2,0,0]=3 410 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,0,0,0,0,0|3,0,0]=4 411 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,0,0,0,0,0|3,0,0]=4 412 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,0,0,0,0,0|3,0,0]=4 413 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,0,0,0,0,0|3,0,0]=4 414 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,0,0,0,0,0|3,0,0]=4 415 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,0,0,0,0,0|2,0,0]=3 416 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,0,0,0,0,0|2,0,0]=3 417 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,0,0,0,0,0|2,0,0]=3 418 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 419 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 420 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 421 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 422 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,0,0,0,0,0|3,0,0]=4 423 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,0,0,0,0,0|3,0,0]=4 424 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,0,0,0,0,0|3,0,0]=4 425 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,0,0,0,0,0|3,0,0]=4 426 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,0,0,0,0,0|3,0,0]=4 427 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,0,0,0,0,0|3,0,0]=4 428 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,0,0,0,0,0|1,0,2]=4 429 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,0,0,0,0,0|1,0,2]=4 430 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,0,0,0,0,0|1,0,2]=4 431 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,0,0,0,0|1,0,2]=4 432 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,0,0,0,0|1,0,2]=4 433 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 434 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 435 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 436 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,0,0,0,0|1,0,2]=4 437 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,0,0,0,0|1,0,2]=4 438 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,0,0,0,0|1,0,2]=4 439 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,0,0,0,0|1,0,2]=4 440 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,0,0,0,0|1,0,2]=4 441 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,0,0,0,0|1,0,2]=4 442 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,0,0,0,0|1,0,2]=4 443 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,0,0,0,0|1,0,1]=3 444 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,0,0,0,0,0|2,0,1]=4 445 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,0,0,0,0,0|2,0,1]=4 446 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,0,0,0,0|1,0,1]=3 447 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,0,0,0,0|2,0,1]=4 448 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,0,0,0,0|2,0,1]=4 449 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 450 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,0,0,0,0|1,0,2]=4 451 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,0,0,0,0|2,0,1]=4 452 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,0,0,0,0|2,0,1]=4 453 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,0,0,0,0|2,0,1]=4 454 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,0,0,0,0,0|2,0,1]=4 455 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,0,0,0,0,0|2,0,1]=4 456 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,0,0,0,0|1,0,0]=2 457 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,0,0,0,0,0|2,0,0]=3 458 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,0,0,0,0|2,0,0]=3 459 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,0,0,0,0|2,0,0]=3 460 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,0,0,0,0|2,0,0]=3 461 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,0,0,0,0|2,0,0]=3 462 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,0,0,0,0|2,0,0]=3 463 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,0,0,0,0|2,0,0]=3 464 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,0,0,0,0|2,0,0]=3 465 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,0,0,0,0|2,0,0]=3 466 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,0,0,0,0|2,0,0]=3 467 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,0,0,0,0|2,0,0]=3 468 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 469 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 470 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,0,0,0,0|1,0,0]=2 471 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,0,0,0,0|2,0,0]=3 472 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,0,0,0,0,0|2,0,1]=4 473 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,0,0,0,0,0|2,0,1]=4 474 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,0,0,0,0,0|2,0,1]=4 475 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,0,0,0,0,0|1,0,1]=3 476 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,0,0,0,0,0|1,0,1]=3 477 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,0,0,0,0,0|1,0,1]=3 478 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,0,0,0,0,0|2,0,1]=4 479 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,0,0,0,0,0|2,0,1]=4 480 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,0,0,0,0,0|1,1,1]=4 481 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,0,0,0,0,0|1,1,1]=4 482 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,0,0,0,0,0|3,0,0]=4 483 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,0,0,0,0,0|3,0,0]=4 484 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,0,0,0,0,0|3,0,0]=4 485 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,0,0,0,0,0|3,0,0]=4 486 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,0,0,0,0,0|3,0,0]=4 487 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,0,0,0,0,0|3,0,0]=4 488 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,0,0,0,0,0|2,0,1]=4 489 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,0,0,0,0,0|2,0,0]=3 490 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,0,0,0,0|2,0,0]=3 491 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 492 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,0,0,0,0|2,0,0]=3 493 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 494 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,0,0,0,0|2,0,0]=3 495 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 496 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 497 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,0,0,0,0|2,0,0]=3 498 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 499 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 500 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 501 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 502 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,0,0,0,0|2,0,0]=3 503 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,0,0,0,0|2,0,0]=3 504 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,0,0,0,0|2,0,0]=3 505 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,0,0,0,0|2,0,0]=3 506 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 507 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 508 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,0,0,0,0|2,0,0]=3 509 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 510 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 511 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,0,0,0,0,0|3,0,0]=4 512 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 513 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,0,0,0,0|1,0,0]=2 514 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 515 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,0,0,0,0|1,0,0]=2 516 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,0,0,0,0|1,0,0]=2 517 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,0,0,0,0|1,0,0]=2 518 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,0,0,0,0|1,0,0]=2 519 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,0,0,0,0|1,0,0]=2 520 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 521 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,0,0,0,0,0|2,0,1]=4 522 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,0,0,0,0,0|2,0,1]=4 523 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,0,0,0,0,0|2,0,1]=4 524 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 525 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,0,0,0,0,0|3,0,0]=4 526 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 527 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,0,0,0,0,0|3,0,0]=4 528 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,0,0,0,0,0|3,0,0]=4 529 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,0,0,0,0,0|3,0,0]=4 530 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,0,0,0,0,0|3,0,0]=4 531 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,0,0,0,0,0|3,0,0]=4 532 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,0,0,0,0,0|3,0,0]=4 533 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,0,0,0,0,0|3,0,0]=4 534 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,0,0,0,0,0|3,0,0]=4 535 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,0,0,0,0,0|3,0,0]=4 536 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,0,0,0,0,0|3,0,0]=4 537 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,0,0,0,0,0|3,0,0]=4 538 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,0,0,0,0,0|3,0,0]=4 539 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,0,0,0,0,0|3,0,0]=4 540 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,0,0,0,0,0|3,0,0]=4 541 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,0,0,0,0,0|0,0,2]=3 542 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [1,0,0,0,0,0|0,0,2]=3 543 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [1,0,0,0,0,0|1,0,2]=4 544 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,0,0,0,0|0,0,2]=3 545 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [1,0,0,0,0,0|1,0,2]=4 546 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,0,0,0,0,0|1,0,2]=4 547 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,0,0,0,0,0|1,0,2]=4 548 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [1,0,0,0,0,0|2,0,1]=4 549 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,0,0,0,0,0|0,0,2]=3 550 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,0,0,0,0,0|1,0,2]=4 551 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,0,0,0,0,0|1,0,2]=4 552 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,0,0,0,0,0|0,0,2]=3 553 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [1,0,0,0,0,0|1,0,2]=4 554 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [1,0,0,0,0,0|1,0,2]=4 555 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [1,0,0,0,0,0|1,0,2]=4 556 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [1,0,0,0,0,0|1,0,2]=4 557 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [1,0,0,0,0,0|1,0,2]=4 558 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [1,0,0,0,0,0|2,0,1]=4 559 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [1,0,0,0,0,0|2,0,1]=4 560 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [1,0,0,0,0,0|3,0,0]=4 561 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [1,0,0,0,0,0|1,0,1]=3 563 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [1,0,0,0,0,0|1,0,1]=3 564 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,0,0,0,0,0|0,0,0]=1 565 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,0,0,0,0,0|0,0,0]=1 566 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,0,0,0,0,0|1,0,0]=2 567 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,0,0,0,0,0|1,0,0]=2 568 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,0,0,0,0,0|1,0,0]=2 569 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,0,0,0,0,0|1,0,0]=2 570 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,0,0,0,0,0|1,0,0]=2 571 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,0,0,0,0,0|1,0,0]=2 572 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,0,0,0,0,0|1,0,0]=2 573 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,0,0,0,0,0|1,0,0]=2 574 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,0,0,0,0|1,0,0]=2 575 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,0,0,0,0,0|2,0,0]=3 576 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,0,0,0,0,0|1,0,0]=2 577 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,0,0,0,0,0|1,0,0]=2 578 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,0,0,0,0,0|1,0,0]=2 579 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,0,0,0,0,0|1,0,0]=2 580 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,0,0,0,0,0|1,0,0]=2 581 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,0,0,0,0,0|1,0,0]=2 582 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,0,0,0,0,0|1,0,0]=2 583 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,0,0,0,0,0|1,0,0]=2 584 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,0,0,0,0,0|1,0,0]=2 585 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,0,0,0,0,0|1,0,0]=2 586 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [1,0,0,0,0,0|2,0,1]=4 587 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [1,0,0,0,0,0|2,0,1]=4 588 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,0,0,0,0,0|1,0,1]=3 589 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,0,0,0,0,0|1,0,1]=3 590 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [1,0,0,0,0,0|2,0,0]=3 591 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [1,0,0,0,0,0|2,0,0]=3 592 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [1,0,0,0,0,0|2,0,0]=3 593 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [1,0,0,0,0,0|2,0,0]=3 594 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [1,0,0,0,0,0|2,0,0]=3 595 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [1,0,0,0,0,0|2,0,0]=3 596 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [1,0,0,0,0,0|3,0,0]=4 597 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [1,0,0,0,0,0|2,0,0]=3 598 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [1,0,0,0,0,0|2,0,0]=3 599 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,0,0,0,0,0|2,0,0]=3 600 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,0,0,0,0,0|2,0,0]=3 601 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,0,0,0,0,0|2,0,0]=3 602 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,0,0,0,0,0|2,0,0]=3 603 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,0,0,0,0,0|2,0,0]=3 604 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,0,0,0,0,0|2,0,0]=3 605 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [1,0,0,0,0,0|3,0,0]=4 606 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [1,0,0,0,0,0|3,0,0]=4 607 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [1,0,0,0,0,0|3,0,0]=4 608 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [1,0,0,0,0,0|3,0,0]=4 609 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [1,0,0,0,0,0|3,0,0]=4 610 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [1,0,0,0,0,0|2,0,1]=4 611 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [1,0,0,0,0,0|3,0,0]=4 612 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [1,0,0,0,0,0|3,0,0]=4 613 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [1,0,0,0,0,0|3,0,0]=4 614 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,0,0,0,0,0|2,0,1]=4 615 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,0,0,0,0,0|2,0,1]=4 616 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,0,0,0,0,0|2,0,1]=4 617 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,0,0,0,0,0|2,0,1]=4 618 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,0,0,0,0,0|2,0,0]=3 623 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,0,0,0,0,0|2,0,0]=3 624 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,0,0,0,0,0|2,0,0]=3 625 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,0,0,0,0,0|2,0,0]=3 626 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,0,0,0,0,0|2,0,0]=3 627 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,0,0,0,0,0|2,0,0]=3 628 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,0,0,0,0,0|2,0,0]=3 629 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,0,0,0,0,0|2,0,0]=3 630 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,0,0,0,0,0|2,0,0]=3 631 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,0,0,0,0,0|2,0,0]=3 632 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,0,0,0,0,0|2,0,0]=3 633 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,0,0,0,0,0|2,0,0]=3 634 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,0,0,0,0,0|2,0,0]=3 635 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,0,0,0,0,0|2,0,0]=3 636 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,0,0,0,0,0|2,0,0]=3 637 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,0,0,0,0,0|2,0,0]=3 638 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [1,0,0,0,0,0|3,0,0]=4 639 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [1,0,0,0,0,0|3,0,0]=4 640 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [1,0,0,0,0,0|3,0,0]=4 641 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [1,0,0,0,0,0|3,0,0]=4 642 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [1,0,0,0,0,0|3,0,0]=4 643 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [1,0,0,0,0,0|3,0,0]=4 644 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [1,0,0,0,0,0|3,0,0]=4 645 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [1,0,0,0,0,0|3,0,0]=4 646 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,0,0,0,0,0|3,0,0]=4 647 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,0,0,0,0,0|2,0,0]=3 648 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,0,0,0,0,0|2,0,0]=3 649 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,0,0,0,0,0|2,0,0]=3 650 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,0,0,0,0,0|2,0,0]=3 651 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,0,0,0,0,0|1,0,0]=2 652 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,0,0,0,0,0|1,0,0]=2 653 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,0,0,0,0,0|1,0,0]=2 654 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,0,0,0,0,0|1,0,0]=2 655 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,0,0,0,0,0|1,0,0]=2 656 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,0,0,0,0,0|1,0,0]=2 657 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,0,0,0,0,0|1,0,0]=2 658 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,0,0,0,0,0|1,0,0]=2 659 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,0,0,0,0,0|1,0,0]=2 660 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,0,0,0,0,0|1,0,0]=2 661 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,0,0,0,0,0|2,0,0]=3 662 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [1,0,0,0,0,0|3,0,0]=4 663 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,0,0,0,0,0|2,0,0]=3 664 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [1,0,0,0,0,0|3,0,0]=4 665 B9R0.6 C#CCC(=O)C(C)C(C)C 1458a_100000755409_100000184674 [0,1,0,0,0,0|1,0,2]=4 666 B9R0.6 C=CCC(=O)C(C)C(C)C 1458a_100000755409_100000210623 [0,1,0,0,0,0|1,0,2]=4 667 B9R0.6 CC#CC(=O)C(C)C(=O)C 1458a_100000763181_100000179758 [0,1,0,0,0,0|1,0,2]=4 668 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,1,0,0,0,0|2,0,1]=4 669 B9R0.6 CC(C)C(C)C(=O)CC#N 1458a_100000755409_100011214920 [0,1,0,0,0,0|2,0,1]=4 670 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [0,1,0,0,0,0|2,0,0]=3 671 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,1,0,0,0,0|2,0,0]=3 672 B9R0.6 CC(C)N(C)C(=O)CCO 240690a_200000211004_100011216618 [0,1,0,0,0,0|3,0,0]=4 673 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_100000230190_200025704644 [0,1,0,0,0,0|3,0,0]=4 674 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_200025704644_100000230190 [0,1,0,0,0,0|3,0,0]=4 675 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [0,1,0,0,0,0|3,0,0]=4 676 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [0,1,0,0,0,0|3,0,0]=4 677 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,1,0,0,0,0|1,0,2]=4 678 B9R0.6 CC=CC(=O)N(C)C(C)C 11a_200000211004_100000210699 [0,1,0,0,0,0|2,0,1]=4 679 B9R0.6 CC=CC(=O)N(C)C(C)C 1626a_200000211004_100000210699 [0,1,0,0,0,0|2,0,1]=4 680 B9R0.6 CC=CC(=O)N(C)C(C)C 240690a_200000211004_100000210699 [0,1,0,0,0,0|2,0,1]=4 681 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,0,0|1,0,1]=3 682 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,1,0,0,0,0|2,0,1]=4 683 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,1,0,0,0,0|1,0,0]=2 684 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,1,0,0,0,0|2,0,0]=3 685 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,1,0,0,0,0|2,0,0]=3 686 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,1,0,0,0,0|2,0,0]=3 687 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,1,0,0,0,0|2,0,0]=3 688 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [0,1,0,0,0,0|2,0,0]=3 689 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,1,0,0,0,0|2,0,0]=3 690 B9R0.6 CCCN(C)C(C)C(C)C 2230a_100000228512_100000210303 [0,1,0,0,0,0|3,0,0]=4 691 B9R0.6 CCCN(C)C(C)C(C)C 2230a_200015185082_200000210301 [0,1,0,0,0,0|3,0,0]=4 692 B9R0.6 CCCN(C)C(C)C(C)C 269982a_100000228512_100000210303 [0,1,0,0,0,0|3,0,0]=4 693 B9R0.6 CCCN(C)C(C)C(C)C 269982a_200015185082_200000210301 [0,1,0,0,0,0|3,0,0]=4 694 B9R0.6 CCCN([13CH3])C(C)C(C)C 2230a_200015185082_200025704644 [0,1,0,0,0,0|3,0,0]=4 695 B9R0.6 CCCN([13CH3])C(C)C(C)C 269982a_200015185082_200025704644 [0,1,0,0,0,0|3,0,0]=4 696 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,1,0,0,0,0|2,0,1]=4 697 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,0,0,0,0|1,0,1]=3 698 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,1,0,0,0,0|1,0,0]=2 699 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,1,0,0,0,0|1,0,0]=2 700 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,1,0,0,0,0|1,0,0]=2 701 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [0,1,0,0,0,0|2,0,0]=3 702 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [0,1,0,0,0,0|2,0,0]=3 703 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [0,1,0,0,0,0|2,0,0]=3 704 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [0,1,0,0,0,0|2,0,0]=3 705 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [0,1,0,0,0,0|2,0,0]=3 706 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [0,1,0,0,0,0|2,0,0]=3 707 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,1,0,0,0,0|2,0,0]=3 708 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 709 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 710 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 711 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,0,0|0,0,1]=2 712 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,0,0|0,0,1]=2 713 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,0,0|0,0,1]=2 714 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,1,0,0,0,0|1,0,0]=2 715 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,1,0,0,0,0|1,0,0]=2 716 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,0,0|1,0,1]=3 717 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,1,0,0,0,0|2,0,0]=3 718 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,1,0,0,0,0|2,0,0]=3 719 B9R0.6 CNCC(=O)N(C)C(C)C 2230a_106832991635_100000230190 [0,1,0,0,0,0|3,0,0]=4 720 B9R0.6 CNCC(=O)N(C)C(C)C 34a_100102657272_100000230190 [0,1,0,0,0,0|3,0,0]=4 721 B9R0.6 CNCC(=O)N(C)C(C)C 7a_106832991635_100000230190 [0,1,0,0,0,0|3,0,0]=4 722 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [0,1,0,0,0,0|2,0,0]=3 723 B9R0.6 CNNC(=O)[C@H](C)N(C)C 22a_100016993582_100009822176 [0,1,0,0,0,0|3,0,0]=4 724 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [0,1,0,0,0,0|3,0,0]=4 725 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,1,0,0,0,0|2,0,1]=4 726 B9R0.6 COCC(=O)N(C)C(C)C 11a_200000211004_100000210968 [0,1,0,0,0,0|3,0,0]=4 727 B9R0.6 COCC(=O)N(C)C(C)C 1626a_200000211004_100000210968 [0,1,0,0,0,0|3,0,0]=4 728 B9R0.6 COCC(=O)N(C)C(C)C 240690a_200000211004_100000210968 [0,1,0,0,0,0|3,0,0]=4 729 B9R0.6 COCC(=O)N(C)C(C)C 34a_100138415774_100000230190 [0,1,0,0,0,0|3,0,0]=4 730 B9R0.6 COCC(=O)N(C)C(C)C 527a_200000211004_100000210968 [0,1,0,0,0,0|3,0,0]=4 731 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,1,0,0,0,0|2,0,1]=4 732 B9R0.6 CSCC(=O)N(C)C(C)C 11a_200000211004_100000184570 [0,1,0,0,0,0|3,0,0]=4 733 B9R0.6 CSCC(=O)N(C)C(C)C 1626a_200000211004_100000184570 [0,1,0,0,0,0|3,0,0]=4 734 B9R0.6 CSCC(=O)N(C)C(C)C 240690a_200000211004_100000184570 [0,1,0,0,0,0|3,0,0]=4 735 B9R0.6 CSCC(=O)N(C)C(C)C 527a_200000211004_100000184570 [0,1,0,0,0,0|3,0,0]=4 736 B9R0.6 CSCC(=O)N(C)C(C)C 62a_100000230190_200000210301 [0,1,0,0,0,0|3,0,0]=4 737 B9R0.6 CSCC(=O)N(C)C(C)C 62a_200000210301_100000230190 [0,1,0,0,0,0|3,0,0]=4 738 B9R0.6 C[C@@H](C(=O)CCF)N(C)C 1458a_100009822176_100011217306 [0,1,0,0,0,0|3,0,0]=4 739 B9R0.6 C[C@@H](C(=O)CCO)N(C)C 1458a_100009822176_100000211926 [0,1,0,0,0,0|3,0,0]=4 740 B9R0.8 C#CC(C)C(=O)C#CCC 1458a_100011827653_200000035995 [0,1,0,0,0,0|1,0,2]=4 741 B9R0.8 C#CC(C)C(=O)C=CCC 1458a_100000212282_200000035995 [0,1,0,0,0,0|1,0,2]=4 742 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,1,0,0,0,0|1,0,2]=4 743 B9R0.8 C#CC(C)C(=O)CCOC 1458a_100000749529_200000035995 [0,1,0,0,0,0|1,0,2]=4 744 B9R0.8 C#CC(C)C(=O)CCSC 1458a_100000174002_200000035995 [0,1,0,0,0,0|1,0,2]=4 745 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,1,0,0,0,0|0,0,2]=3 746 B9R0.8 C#CC(C)C(=O)CSCC 1458a_100000230394_200000035995 [0,1,0,0,0,0|0,1,2]=4 747 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [0,1,0,0,0,0|1,0,1]=3 748 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [0,1,0,0,0,0|1,0,1]=3 749 B9R0.8 C#CCCC(=O)C(C)OC 1458a_100000743197_100000753159 [0,1,0,0,0,0|2,0,1]=4 750 B9R0.8 C#CCCC(=O)C(C)SC 1458a_100000149566_100000753159 [0,1,0,0,0,0|2,0,1]=4 751 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [0,1,0,0,0,0|2,0,1]=4 752 B9R0.8 C#CCCC(=O)N(C)CC 11a_100000225621_100000692101 [0,1,0,0,0,0|2,0,1]=4 753 B9R0.8 C#CCCC(=O)N(C)CC 1626a_100000225621_100000692101 [0,1,0,0,0,0|2,0,1]=4 754 B9R0.8 C#CCCC(=O)N(C)CC 240690a_100000225621_100000692101 [0,1,0,0,0,0|2,0,1]=4 755 B9R0.8 C#CCCC(=O)N(C)CC 527a_100000225621_100000692101 [0,1,0,0,0,0|2,0,1]=4 756 B9R0.8 C#CCNC(=O)C(C)CC 11a_100000212058_100011192722 [0,1,0,0,0,0|1,0,1]=3 757 B9R0.8 C#CCNC(=O)C(C)CC 1626a_100000212058_100011192722 [0,1,0,0,0,0|1,0,1]=3 758 B9R0.8 C#CCNC(=O)C(C)CC 240690a_100000212058_100011192722 [0,1,0,0,0,0|1,0,1]=3 759 B9R0.8 C#CCNC(=O)C(C)CC 527a_100000212058_100011192722 [0,1,0,0,0,0|1,0,1]=3 760 B9R0.8 C#CCNC(=O)C(C)NC 2230a_106832991635_100000735948 [0,1,0,0,0,0|2,0,1]=4 761 B9R0.8 C#CCNC(=O)C(C)NC 34a_100102657272_100000735948 [0,1,0,0,0,0|2,0,1]=4 762 B9R0.8 C#CCNC(=O)C(C)NC 7a_106832991635_100000735948 [0,1,0,0,0,0|2,0,1]=4 763 B9R0.8 C#CCNC(=O)C(C)OC 11a_100000212058_100000743197 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.8 C#CCNC(=O)C(C)OC 1626a_100000212058_100000743197 [0,1,0,0,0,0|2,0,1]=4 765 B9R0.8 C#CCNC(=O)C(C)OC 240690a_100000212058_100000743197 [0,1,0,0,0,0|2,0,1]=4 766 B9R0.8 C#CCNC(=O)C(C)OC 34a_100138415774_100000735948 [0,1,0,0,0,0|2,0,1]=4 767 B9R0.8 C#CCNC(=O)C(C)OC 527a_100000212058_100000743197 [0,1,0,0,0,0|2,0,1]=4 768 B9R0.8 C#CCNC(=O)C(C)SC 11a_100000212058_100000149566 [0,1,0,0,0,0|2,0,1]=4 769 B9R0.8 C#CCNC(=O)C(C)SC 1626a_100000212058_100000149566 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.8 C#CCNC(=O)C(C)SC 240690a_100000212058_100000149566 [0,1,0,0,0,0|2,0,1]=4 771 B9R0.8 C#CCNC(=O)C(C)SC 527a_100000212058_100000149566 [0,1,0,0,0,0|2,0,1]=4 772 B9R0.8 C#CCNC(=O)C(C)SC 62a_100000735948_200000210301 [0,1,0,0,0,0|2,0,1]=4 773 B9R0.8 C#CCNC(=O)C(C)SC 62a_200000210301_100000735948 [0,1,0,0,0,0|2,0,1]=4 774 B9R0.8 C#CCNC(=O)C(C)S[13CH3] 62a_100000735948_200025704644 [0,1,0,0,0,0|2,0,1]=4 775 B9R0.8 C#CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735948 [0,1,0,0,0,0|2,0,1]=4 776 B9R0.8 C#CCNC(=O)C(O)CC 240690a_100000212058_100011196387 [0,1,0,0,0,0|2,0,1]=4 777 B9R0.8 C#CCNC(=O)N(C)CC 2708a_100000212058_100000225621 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.8 C#CCNC(=O)N(C)CC 273464a_100000212058_100000225621 [0,1,0,0,0,0|2,0,1]=4 779 B9R0.8 C#CCOC(C)C(C)CC 7a_100011215189_100000038162 [0,1,0,0,0,0|1,0,2]=4 780 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|1,0,2]=4 781 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,1,0,0,0,0|1,0,2]=4 782 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,1,0,0,0,0|1,0,2]=4 783 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,1,0,0,0,0|1,0,2]=4 784 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,1,0,0,0,0|1,0,2]=4 785 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,1,0,0,0,0|1,0,2]=4 786 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,1,0,0,0,0|1,0,2]=4 787 B9R0.8 C/C=C(\C)/C(=O)NCCF 11a_100000724931_100020587367 [0,1,0,0,0,0|1,0,2]=4 788 B9R0.8 C/C=C(\C)/C(=O)NCCF 1626a_100000724931_100020587367 [0,1,0,0,0,0|1,0,2]=4 789 B9R0.8 C/C=C(\C)/C(=O)NNCC 22a_100000756455_100020587367 [0,1,0,0,0,0|1,0,2]=4 790 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,1,0,0,0,0|1,0,1]=3 791 B9R0.8 C/C=C/CC(=O)C(C)OC 1458a_100000743197_100102629194 [0,1,0,0,0,0|2,0,1]=4 792 B9R0.8 C/C=C/CC(=O)C(C)SC 1458a_100000149566_100102629194 [0,1,0,0,0,0|2,0,1]=4 793 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,1,0,0,0,0|2,0,1]=4 794 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,1,0,0,0,0|1,0,2]=4 795 B9R0.8 C=CC(C)C(=O)CCCF 1458a_100011216780_100011934791 [0,1,0,0,0,0|1,0,2]=4 796 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,1,0,0,0,0|1,0,2]=4 797 B9R0.8 C=CC(C)C(=O)CCOC 1458a_100011216780_100000233755 [0,1,0,0,0,0|1,0,2]=4 798 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,1,0,0,0,0|1,0,2]=4 799 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 800 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 801 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 802 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,1,0,0,0,0|1,0,2]=4 803 B9R0.8 C=CC(C)C(=O)NCCF 11a_100000724931_100011216780 [0,1,0,0,0,0|1,0,2]=4 804 B9R0.8 C=CC(C)C(=O)NCCF 1626a_100000724931_100011216780 [0,1,0,0,0,0|1,0,2]=4 805 B9R0.8 C=CC(C)C(=O)NCCF 240690a_100000724931_100011216780 [0,1,0,0,0,0|1,0,2]=4 806 B9R0.8 C=CC(C)C(=O)NCCF 527a_100000724931_100011216780 [0,1,0,0,0,0|1,0,2]=4 807 B9R0.8 C=CC(C)C(=O)NCCO 240690a_100000210304_100011216780 [0,1,0,0,0,0|1,0,2]=4 808 B9R0.8 C=CC(C)C(=O)NCCO 527a_100000210304_100011216780 [0,1,0,0,0,0|1,0,2]=4 809 B9R0.8 C=CC(C)C(=O)NNCC 22a_100000756455_100011216780 [0,1,0,0,0,0|1,0,2]=4 810 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,1,0,0,0,0|1,0,2]=4 811 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [0,1,0,0,0,0|1,0,1]=3 812 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [0,1,0,0,0,0|1,0,1]=3 813 B9R0.8 C=CCCC(=O)C(C)OC 1458a_100000743197_100000754431 [0,1,0,0,0,0|2,0,1]=4 814 B9R0.8 C=CCCC(=O)C(C)SC 1458a_100000149566_100000754431 [0,1,0,0,0,0|2,0,1]=4 815 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,1,0,0,0,0|2,0,1]=4 816 B9R0.8 C=CCCC(=O)N(C)CC 11a_100000225621_100000749702 [0,1,0,0,0,0|2,0,1]=4 817 B9R0.8 C=CCCC(=O)N(C)CC 1626a_100000225621_100000749702 [0,1,0,0,0,0|2,0,1]=4 818 B9R0.8 C=CCCC(=O)N(C)CC 240690a_100000225621_100000749702 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.8 C=CCCC(=O)N(C)CC 527a_100000225621_100000749702 [0,1,0,0,0,0|2,0,1]=4 820 B9R0.8 C=CCNC(=O)C(C)CC 1626a_100020586998_100011192722 [0,1,0,0,0,0|1,0,1]=3 821 B9R0.8 C=CCNC(=O)C(C)CC 240690a_100020586998_100011192722 [0,1,0,0,0,0|1,0,1]=3 822 B9R0.8 C=CCNC(=O)C(C)CC 527a_100020586998_100011192722 [0,1,0,0,0,0|1,0,1]=3 823 B9R0.8 C=CCNC(=O)C(C)NC 2230a_106832991635_100000230288 [0,1,0,0,0,0|2,0,1]=4 824 B9R0.8 C=CCNC(=O)C(C)NC 7a_106832991635_100000230288 [0,1,0,0,0,0|2,0,1]=4 825 B9R0.8 C=CCNC(=O)C(C)OC 1626a_100020586998_100000743197 [0,1,0,0,0,0|2,0,1]=4 826 B9R0.8 C=CCNC(=O)C(C)OC 240690a_100020586998_100000743197 [0,1,0,0,0,0|2,0,1]=4 827 B9R0.8 C=CCNC(=O)C(C)OC 527a_100020586998_100000743197 [0,1,0,0,0,0|2,0,1]=4 828 B9R0.8 C=CCNC(=O)C(C)SC 1626a_100020586998_100000149566 [0,1,0,0,0,0|2,0,1]=4 829 B9R0.8 C=CCNC(=O)C(C)SC 240690a_100020586998_100000149566 [0,1,0,0,0,0|2,0,1]=4 830 B9R0.8 C=CCNC(=O)C(C)SC 527a_100020586998_100000149566 [0,1,0,0,0,0|2,0,1]=4 831 B9R0.8 C=CCNC(=O)C(C)SC 62a_100000230288_200000210301 [0,1,0,0,0,0|2,0,1]=4 832 B9R0.8 C=CCNC(=O)C(C)SC 62a_200000210301_100000230288 [0,1,0,0,0,0|2,0,1]=4 833 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_100000230288_200025704644 [0,1,0,0,0,0|2,0,1]=4 834 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230288 [0,1,0,0,0,0|2,0,1]=4 835 B9R0.8 C=CCNC(=O)C(O)CC 240690a_100020586998_100011196387 [0,1,0,0,0,0|2,0,1]=4 836 B9R0.8 C=CCNC(=O)N(C)CC 273464a_100020586998_100000225621 [0,1,0,0,0,0|2,0,1]=4 837 B9R0.8 C=CCOC(C)C(C)CC 7a_100011215189_100015514636 [0,1,0,0,0,0|1,0,2]=4 838 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [0,1,0,0,0,0|1,0,1]=3 839 B9R0.8 CC#CCC(=O)C(C)OC 1458a_100000743197_100000748600 [0,1,0,0,0,0|2,0,1]=4 840 B9R0.8 CC#CCC(=O)C(C)SC 1458a_100000149566_100000748600 [0,1,0,0,0,0|2,0,1]=4 841 B9R0.8 CC#CCC(=O)C(O)CC 1458a_100011196387_100000748600 [0,1,0,0,0,0|2,0,1]=4 842 B9R0.8 CC(C#N)C(=O)CCCF 1458a_100000753662_100011934791 [0,1,0,0,0,0|2,0,1]=4 843 B9R0.8 CC(C#N)C(=O)CCCO 1458a_100000753662_100011215043 [0,1,0,0,0,0|2,0,1]=4 844 B9R0.8 CC(C#N)C(=O)NCCF 11a_100000724931_100000753662 [0,1,0,0,0,0|2,0,1]=4 845 B9R0.8 CC(C#N)C(=O)NCCF 1626a_100000724931_100000753662 [0,1,0,0,0,0|2,0,1]=4 846 B9R0.8 CC(C#N)C(=O)NCCF 240690a_100000724931_100000753662 [0,1,0,0,0,0|2,0,1]=4 847 B9R0.8 CC(C#N)C(=O)NCCF 527a_100000724931_100000753662 [0,1,0,0,0,0|2,0,1]=4 848 B9R0.8 CC(C#N)C(=O)NCCO 240690a_100000210304_100000753662 [0,1,0,0,0,0|2,0,1]=4 849 B9R0.8 CC(C#N)C(=O)NCCO 527a_100000210304_100000753662 [0,1,0,0,0,0|2,0,1]=4 850 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,1,0,0,0,0|1,0,1]=3 851 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,1,0,0,0,0|1,0,1]=3 852 B9R0.8 CC=CCC(=O)C(C)OC 1458a_100000743197_100000070051 [0,1,0,0,0,0|2,0,1]=4 853 B9R0.8 CC=CCC(=O)C(C)SC 1458a_100000149566_100000070051 [0,1,0,0,0,0|2,0,1]=4 854 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,1,0,0,0,0|2,0,1]=4 855 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 856 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 857 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 858 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 859 B9R0.8 CC=NNC(=O)C(C)CC 4a_100000740736_200000210099 [0,1,0,0,0,0|1,0,1]=3 860 B9R0.8 CC=NNC(=O)C(C)OC 4a_100000243824_200000210099 [0,1,0,0,0,0|2,0,1]=4 861 B9R0.8 CCC#CC(=O)C(C)C#N 1458a_100011827653_100000703298 [0,1,0,0,0,0|2,0,1]=4 862 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [0,1,0,0,0,0|1,0,0]=2 863 B9R0.8 CCC(C)C(=O)C#CCO 1458a_100000049017_100000758301 [0,1,0,0,0,0|1,0,1]=3 864 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [0,1,0,0,0,0|1,0,1]=3 865 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [0,1,0,0,0,0|1,0,1]=3 866 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [0,1,0,0,0,0|1,0,1]=3 867 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,1,0,0,0,0|1,0,0]=2 868 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,1,0,0,0,0|1,0,0]=2 869 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,1,0,0,0,0|1,0,0]=2 870 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,1,0,0,0,0|1,0,0]=2 871 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,0,0,0,0|1,0,0]=2 872 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,0,0,0,0|1,0,0]=2 873 B9R0.8 CCC(C)C(=O)NCC#N 1626a_100000734998_100011192722 [0,1,0,0,0,0|1,0,1]=3 874 B9R0.8 CCC(C)C(=O)NCC#N 527a_100000734998_100011192722 [0,1,0,0,0,0|1,0,1]=3 875 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [0,1,0,0,0,0|1,0,0]=2 876 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [0,1,0,0,0,0|1,0,0]=2 877 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [0,1,0,0,0,0|1,0,0]=2 878 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [0,1,0,0,0,0|1,0,0]=2 879 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,1,0,0,0,0|1,0,0]=2 880 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,1,0,0,0,0|1,0,0]=2 881 B9R0.8 CCC(C)C(C)NCCF 269862a_100000724931_100000210599 [0,1,0,0,0,0|2,0,1]=4 882 B9R0.8 CCC(C)C(C)NCCO 269862a_100000210304_100000210599 [0,1,0,0,0,0|2,0,1]=4 883 B9R0.8 CCC(C)C(C)NCCO 270004a_100000210304_100000210599 [0,1,0,0,0,0|2,0,1]=4 884 B9R0.8 CCC(C)C(C)OCC#N 7a_100011215189_100011215382 [0,1,0,0,0,0|1,0,2]=4 885 B9R0.8 CCC(C)C(C)OCC=O 7a_100011215189_200015260668 [0,1,0,0,0,0|1,0,2]=4 886 B9R0.8 CCC(C)C(C)OCCF 7a_100011215189_100011217306 [0,1,0,0,0,0|1,0,1]=3 887 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [0,1,0,0,0,0|1,0,1]=3 888 B9R0.8 CCC(C)N(C)CCCF 2230a_100000741768_100011934791 [0,1,0,0,0,0|3,0,0]=4 889 B9R0.8 CCC(C)N(C)CCCF 269982a_100000741768_100011934791 [0,1,0,0,0,0|3,0,0]=4 890 B9R0.8 CCC(C)N(C)CCCO 2230a_100000213112_100000758301 [0,1,0,0,0,0|3,0,0]=4 891 B9R0.8 CCC(C)N(C)CCCO 2230a_100000741768_100000230001 [0,1,0,0,0,0|3,0,0]=4 892 B9R0.8 CCC(C)N(C)CCCO 269982a_100000213112_100000758301 [0,1,0,0,0,0|3,0,0]=4 893 B9R0.8 CCC(C)N(C)CCCO 269982a_100000741768_100011215043 [0,1,0,0,0,0|3,0,0]=4 894 B9R0.8 CCC(C)N(C)CCOC 2230a_100000741768_100011201679 [0,1,0,0,0,0|3,0,0]=4 895 B9R0.8 CCC(C)N(C)CCOC 2230a_100000743101_100000758301 [0,1,0,0,0,0|3,0,0]=4 896 B9R0.8 CCC(C)N(C)CCOC 2230a_200000740884_200000210301 [0,1,0,0,0,0|3,0,0]=4 897 B9R0.8 CCC(C)N(C)CCOC 269982a_100000741768_100000233755 [0,1,0,0,0,0|3,0,0]=4 898 B9R0.8 CCC(C)N(C)CCOC 269982a_100000743101_100000758301 [0,1,0,0,0,0|3,0,0]=4 899 B9R0.8 CCC(C)N(C)CCOC 269982a_200000740884_200000210301 [0,1,0,0,0,0|3,0,0]=4 900 B9R0.8 CCC(C)N(C)CCSC 2230a_100000686725_100000758301 [0,1,0,0,0,0|3,0,0]=4 901 B9R0.8 CCC(C)N(C)CCSC 2230a_100000741768_100000751147 [0,1,0,0,0,0|3,0,0]=4 902 B9R0.8 CCC(C)N(C)CCSC 269982a_100000686725_100000758301 [0,1,0,0,0,0|3,0,0]=4 903 B9R0.8 CCC(C)N(C)CCSC 269982a_100000741768_100000212216 [0,1,0,0,0,0|3,0,0]=4 904 B9R0.8 CCC(C)N([13CH3])CCOC 2230a_200000740884_200025704644 [0,1,0,0,0,0|3,0,0]=4 905 B9R0.8 CCC(C)N([13CH3])CCOC 269982a_200000740884_200025704644 [0,1,0,0,0,0|3,0,0]=4 906 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [0,1,0,0,0,0|2,0,1]=4 907 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,0,0,0,0|2,0,0]=3 908 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,0,0,0,0|2,0,0]=3 909 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,0,0,0,0|2,0,0]=3 910 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|2,0,0]=3 911 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [0,1,0,0,0,0|2,0,0]=3 912 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,1,0,0,0,0|2,0,0]=3 913 B9R0.8 CCC=CC(=O)C(C)C#N 1458a_100000212282_100000703298 [0,1,0,0,0,0|2,0,1]=4 914 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,1,0,0,0,0|1,0,0]=2 915 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [0,1,0,0,0,0|2,0,0]=3 916 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [0,1,0,0,0,0|2,0,0]=3 917 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [0,1,0,0,0,0|2,0,0]=3 918 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,1,0,0,0,0|2,0,1]=4 919 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,1,0,0,0,0|2,0,1]=4 920 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,0,0,0,0|1,0,0]=2 921 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,0,0,0,0|1,0,0]=2 922 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|2,0,0]=3 923 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,1,0,0,0,0|2,0,0]=3 924 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|2,0,0]=3 925 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|3,0,0]=4 926 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 927 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 928 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 929 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 930 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207357_200000210301 [0,1,0,0,0,0|3,0,0]=4 931 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207549_100000758301 [0,1,0,0,0,0|3,0,0]=4 932 B9R0.8 CCCCN(C)C(C)CC 2230a_100000741768_100000210211 [0,1,0,0,0,0|3,0,0]=4 933 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207357_200000210301 [0,1,0,0,0,0|3,0,0]=4 934 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207549_100000758301 [0,1,0,0,0,0|3,0,0]=4 935 B9R0.8 CCCCN(C)C(C)CC 269982a_100000741768_100000210211 [0,1,0,0,0,0|3,0,0]=4 936 B9R0.8 CCCCN([13CH3])C(C)CC 2230a_100000207357_200025704644 [0,1,0,0,0,0|3,0,0]=4 937 B9R0.8 CCCCN([13CH3])C(C)CC 269982a_100000207357_200025704644 [0,1,0,0,0,0|3,0,0]=4 938 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|2,0,1]=4 939 B9R0.8 CCCNC(=O)C(C)C#N 11a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 940 B9R0.8 CCCNC(=O)C(C)C#N 1626a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 941 B9R0.8 CCCNC(=O)C(C)C#N 240690a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 942 B9R0.8 CCCNC(=O)C(C)C#N 527a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 943 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 944 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 945 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 946 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,1,0,0,0,0|1,0,0]=2 947 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,1,0,0,0,0|2,0,0]=3 948 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,1,0,0,0,0|2,0,0]=3 949 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,1,0,0,0,0|2,0,0]=3 950 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,1,0,0,0,0|2,0,0]=3 951 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,1,0,0,0,0|2,0,0]=3 952 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,1,0,0,0,0|2,0,0]=3 953 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,1,0,0,0,0|2,0,0]=3 954 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,1,0,0,0,0|2,0,0]=3 955 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,1,0,0,0,0|2,0,0]=3 956 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,1,0,0,0,0|2,0,0]=3 957 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,1,0,0,0,0|2,0,0]=3 958 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,1,0,0,0,0|2,0,0]=3 959 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,1,0,0,0,0|2,0,0]=3 960 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,1,0,0,0,0|2,0,0]=3 961 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,1,0,0,0,0|2,0,0]=3 962 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,1,0,0,0,0|2,0,0]=3 963 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,1,0,0,0,0|2,0,0]=3 964 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,1,0,0,0,0|2,0,0]=3 965 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,1,0,0,0,0|2,0,0]=3 966 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,1,0,0,0,0|2,0,0]=3 967 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,1,0,0,0,0|2,0,0]=3 968 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,1,0,0,0,0|2,0,0]=3 970 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,1,0,0,0,0|2,0,0]=3 971 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,1,0,0,0,0|2,0,1]=4 972 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,1,0,0,0,0|2,0,1]=4 973 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,1,0,0,0,0|1,0,0]=2 974 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,1,0,0,0,0|1,0,0]=2 975 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,1,0,0,0,0|1,0,0]=2 976 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,1,0,0,0,0|1,0,0]=2 977 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,1,0,0,0,0|1,0,0]=2 978 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,1,0,0,0,0|1,0,0]=2 979 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,1,0,0,0,0|1,0,0]=2 980 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,1,0,0,0,0|1,0,0]=2 981 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,1,0,0,0,0|1,0,0]=2 982 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,1,0,0,0,0|1,0,0]=2 983 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,1,0,0,0,0|1,0,0]=2 984 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,1,0,0,0,0|1,0,0]=2 985 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,1,0,0,0,0|1,0,1]=3 986 B9R0.8 CCN(C)C(=O)C=COC 1626a_100000225621_100016268678 [0,1,0,0,0,0|2,0,1]=4 987 B9R0.8 CCN(C)C(=O)C=COC 240690a_100000225621_100016268678 [0,1,0,0,0,0|2,0,1]=4 988 B9R0.8 CCN(C)C(=O)CCC#N 11a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 989 B9R0.8 CCN(C)C(=O)CCC#N 1626a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 990 B9R0.8 CCN(C)C(=O)CCC#N 240690a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 991 B9R0.8 CCN(C)C(=O)CCC#N 527a_100000225621_100011934036 [0,1,0,0,0,0|2,0,1]=4 992 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,1,0,0,0,0|2,0,0]=3 993 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,1,0,0,0,0|2,0,0]=3 994 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,1,0,0,0,0|2,0,0]=3 995 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,1,0,0,0,0|2,0,0]=3 996 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,0,0,0,0|2,0,0]=3 997 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,0,0,0,0|2,0,0]=3 998 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,0,0,0,0|2,0,0]=3 999 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,0,0,0,0|2,0,0]=3 1000 B9R0.8 CCN(C)C(=O)CSCF 62a_100000738999_100015361967 [0,1,0,0,0,0|2,1,0]=4 1001 B9R0.8 CCN(C)C(=O)CSCF 62a_100015361967_100000738999 [0,1,0,0,0,0|2,1,0]=4 1002 B9R0.8 CCN(C)C(=O)NCC#N 2708a_100000734998_100000225621 [0,1,0,0,0,0|2,0,1]=4 1003 B9R0.8 CCN(C)C(=O)NCC#N 273464a_100000734998_100000225621 [0,1,0,0,0,0|2,0,1]=4 1004 B9R0.8 CCN(C)C(=O)NCCF 273464a_100000724931_100000225621 [0,1,0,0,0,0|2,0,0]=3 1005 B9R0.8 CCN(C)C(=O)NCCO 273464a_100000210304_100000225621 [0,1,0,0,0,0|2,0,0]=3 1006 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,1,0,0,0,0|2,0,0]=3 1007 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015207273_100000210202 [0,1,0,0,0,0|3,0,0]=4 1008 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015525214_100000764215 [0,1,0,0,0,0|3,0,0]=4 1009 B9R0.8 CCNN=C(C)C(C)CC 4a_100000756455_100000210599 [0,1,0,0,0,0|2,0,0]=3 1010 B9R0.8 CCNN=C(C)C(C)CO 4a_100000756455_100000032740 [0,1,0,0,0,0|3,0,0]=4 1011 B9R0.8 CCNN=C(C)C(C)SC 4a_100000756455_200011218923 [0,1,0,0,0,0|3,0,0]=4 1012 B9R0.8 CCNNC(=O)C(C)C#N 22a_100000756455_100000753662 [0,1,0,0,0,0|2,0,1]=4 1013 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [0,1,0,0,0,0|1,0,0]=2 1014 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [0,1,0,0,0,0|2,0,0]=3 1015 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [0,1,0,0,0,0|2,0,0]=3 1016 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [0,1,0,0,0,0|2,0,0]=3 1017 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [0,1,0,0,0,0|3,0,0]=4 1018 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,1,0,0,0,0|1,0,1]=3 1020 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,1,0,0,0,0|0,0,0]=1 1021 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,1,0,0,0,0|1,0,0]=2 1022 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,1,0,0,0,0|1,0,0]=2 1023 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,1,0,0,0,0|1,0,0]=2 1024 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,1,0,0,0,0|1,0,0]=2 1025 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,1,0,0,0,0|1,0,0]=2 1026 B9R0.8 CCOCC(C)N(C)CC 7a_100000732741_100000210202 [0,1,0,0,0,0|2,0,1]=4 1027 B9R0.8 CCOCN(C)C(C)CC 269982a_100000741768_100000739092 [0,1,0,0,0,0|2,0,0]=3 1028 B9R0.8 CCOCN(C)C(C)CO 269982a_100000693034_100000739092 [0,1,0,0,0,0|3,0,0]=4 1029 B9R0.8 CCSCC(=O)C(C)C#N 1458a_100000230394_100000703298 [0,1,0,0,0,0|1,1,1]=4 1030 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,1,0,0,0,0|0,1,0]=2 1031 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,1,0,0,0,0|1,1,0]=3 1032 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,1,0,0,0,0|1,1,0]=3 1033 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,1,0,0,0,0|1,1,0]=3 1034 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,1,0,0,0,0|1,1,0]=3 1035 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,1,0,0,0,0|1,1,0]=3 1036 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,1,0,0,0,0|1,1,0]=3 1037 B9R0.8 CCSCC(=O)N(C)OC 62a_100000210202_100000764215 [0,1,0,0,0,0|2,1,0]=4 1038 B9R0.8 CCSCC(=O)N(C)OC 62a_100000764215_100000210202 [0,1,0,0,0,0|2,1,0]=4 1039 B9R0.8 COC(C)C(=O)CCC#N 1458a_100000743197_100011215226 [0,1,0,0,0,0|2,0,1]=4 1040 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,1,0,0,0,0|2,0,0]=3 1041 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,1,0,0,0,0|2,0,0]=3 1042 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,1,0,0,0,0|2,0,0]=3 1043 B9R0.8 COC(C)C(=O)NCC#N 1626a_100000734998_100000743197 [0,1,0,0,0,0|2,0,1]=4 1044 B9R0.8 COC(C)C(=O)NCC#N 527a_100000734998_100000743197 [0,1,0,0,0,0|2,0,1]=4 1045 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [0,1,0,0,0,0|2,0,0]=3 1046 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [0,1,0,0,0,0|2,0,0]=3 1047 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [0,1,0,0,0,0|2,0,0]=3 1048 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [0,1,0,0,0,0|2,0,0]=3 1049 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [0,1,0,0,0,0|2,0,0]=3 1050 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [0,1,0,0,0,0|2,0,0]=3 1051 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000749529_100000703298 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000753662_100000233755 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,1,0,0,0,0|2,0,0]=3 1054 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,1,0,0,0,0|2,0,0]=3 1055 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,1,0,0,0,0|3,0,0]=4 1056 B9R0.8 CSC(C)C(=O)CCC#N 1458a_100000149566_100011215226 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,1,0,0,0,0|2,0,0]=3 1058 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,1,0,0,0,0|2,0,0]=3 1059 B9R0.8 CSC(C)C(=O)NCC#N 1626a_100000734998_100000149566 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.8 CSC(C)C(=O)NCC#N 527a_100000734998_100000149566 [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [0,1,0,0,0,0|2,0,0]=3 1062 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [0,1,0,0,0,0|2,0,0]=3 1063 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [0,1,0,0,0,0|2,0,0]=3 1064 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [0,1,0,0,0,0|2,0,0]=3 1065 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [0,1,0,0,0,0|2,0,0]=3 1066 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [0,1,0,0,0,0|2,0,0]=3 1067 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000174002_100000703298 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000753662_100000751147 [0,1,0,0,0,0|2,0,1]=4 1069 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,1,0,0,0,0|2,0,0]=3 1070 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,1,0,0,0,0|3,0,0]=4 1071 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,1,0,0,0,0|3,0,0]=4 1072 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,1,0,0,0,0|3,0,0]=4 1073 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [0,1,0,0,0,0|3,0,0]=4 1074 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,1,0,0,0,0|3,0,0]=4 1075 B9R0.12 CCCC(NC)C(C)CC 270004a_106832991635_100011218362 [0,1,0,0,0,0|2,0,1]=4 1076 B9R0.12 CCCC(OC)C(C)CC 34a_100011215975_200000210301 [0,1,0,0,0,0|1,0,2]=4 1077 B9R0.12 CCCC(OC)C(C)CC 7a_100011215975_200000210301 [0,1,0,0,0,0|1,0,2]=4 1078 B9R0.12 CCCC(O[13CH3])C(C)CC 34a_100011215975_200025704644 [0,1,0,0,0,0|1,0,2]=4 1079 B9R0.12 CCCC(O[13CH3])C(C)CC 7a_100011215975_200025704644 [0,1,0,0,0,0|1,0,2]=4 1080 B9R0.12 CCCN(CC)C(C)CC 2230a_100000226822_100000758301 [0,1,0,0,0,0|3,0,0]=4 1081 B9R0.12 CCCN(CC)C(C)CC 2230a_100000732650_100000210303 [0,1,0,0,0,0|3,0,0]=4 1082 B9R0.12 CCCN(CC)C(C)CC 2230a_200011216551_100000210202 [0,1,0,0,0,0|3,0,0]=4 1083 B9R0.12 CCCN(CC)C(C)CC 269982a_100000226822_100000758301 [0,1,0,0,0,0|3,0,0]=4 1084 B9R0.12 CCCN(CC)C(C)CC 269982a_100000732650_100000210303 [0,1,0,0,0,0|3,0,0]=4 1085 B9R0.12 CCCN(CC)C(C)CC 269982a_200011216551_100000204670 [0,1,0,0,0,0|3,0,0]=4 1086 B9R0.12 CCCN(CF)C(C)CC 269982a_200011216551_100015361967 [0,1,0,0,0,0|3,0,0]=4 1087 B9R0.12 CCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210202 [0,1,0,0,0,0|1,0,2]=4 1088 B9R0.19 C#CC(C)(C)C(=O)CCC 1458a_100000079900_100000210303 [0,1,0,0,0,0|1,0,2]=4 1089 B9R0.19 C#CC(C)(C)C(=O)CCC 1458a_100000211992_100000038118 [0,1,0,0,0,0|1,0,2]=4 1090 B9R0.19 C#CC(C)(C)C(=O)NCC 11a_100015525214_100000079900 [0,1,0,0,0,0|1,0,2]=4 1091 B9R0.19 C#CC(C)(C)C(=O)NCC 240690a_100015525214_100000079900 [0,1,0,0,0,0|1,0,2]=4 1092 B9R0.19 C#CC(C)(C)C(=O)NCC 527a_100015525214_100000079900 [0,1,0,0,0,0|1,0,2]=4 1093 B9R0.19 C#CCC(=O)C(C)(C)CC 1458a_100000749717_100000184674 [0,1,0,0,0,0|1,0,2]=4 1094 B9R0.19 C#CCC(=O)C(C)(O)CC 1458a_100011219770_100000184674 [0,1,0,0,0,0|1,0,2]=4 1095 B9R0.19 C=CC(C)(C)C(=O)CCC 1458a_100012027013_100000210303 [0,1,0,0,0,0|1,0,2]=4 1096 B9R0.19 C=CC(C)(C)C(=O)NCC 11a_100015525214_100012027013 [0,1,0,0,0,0|1,0,2]=4 1097 B9R0.19 C=CC(C)(C)C(=O)NCC 240690a_100015525214_100012027013 [0,1,0,0,0,0|1,0,2]=4 1098 B9R0.19 C=CC(C)(C)C(=O)NCC 527a_100015525214_100012027013 [0,1,0,0,0,0|1,0,2]=4 1099 B9R0.19 C=CCC(=O)C(C)(C)CC 1458a_100000749717_100000210623 [0,1,0,0,0,0|1,0,2]=4 1100 B9R0.19 C=CCC(=O)C(C)(O)CC 1458a_100011219770_100000210623 [0,1,0,0,0,0|1,0,2]=4 1101 B9R0.19 CC(C)(CF)C(=O)CCF 1458a_100000138116_100011217306 [0,1,0,0,0,0|3,0,0]=4 1102 B9R0.19 CC(C)(CF)C(=O)CCO 1458a_100000138116_100000211926 [0,1,0,0,0,0|3,0,0]=4 1103 B9R0.19 CC(C)(CO)C(=O)CCF 1458a_100000749806_100011217306 [0,1,0,0,0,0|3,0,0]=4 1104 B9R0.19 CC(C)(CO)C(=O)CCO 1458a_100000749806_100000211926 [0,1,0,0,0,0|3,0,0]=4 1105 B9R0.19 CCC(C)(C)C(=O)CC#N 1458a_100000749717_100011214920 [0,1,0,0,0,0|2,0,1]=4 1106 B9R0.19 CCC(C)(C)C(=O)CCF 1458a_100000749717_100011217306 [0,1,0,0,0,0|2,0,0]=3 1107 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [0,1,0,0,0,0|2,0,0]=3 1108 B9R0.19 CCC(C)(C)C(=O)NNC 22a_100016993582_100000749717 [0,1,0,0,0,0|2,0,0]=3 1109 B9R0.19 CCC(C)(O)C(=O)CC#N 1458a_100011219770_100011214920 [0,1,0,0,0,0|2,0,1]=4 1110 B9R0.19 CCC(C)(O)C(=O)CCF 1458a_100011219770_100011217306 [0,1,0,0,0,0|2,0,0]=3 1111 B9R0.19 CCC(C)(O)C(=O)CCO 1458a_100011219770_100000211926 [0,1,0,0,0,0|2,0,0]=3 1112 B9R0.19 CCC(C)(O)C(=O)NNC 22a_100016993582_100011219770 [0,1,0,0,0,0|2,0,0]=3 1113 B9R0.19 CCC(F)(F)C(=O)CCF 1458a_100000061896_100011217306 [0,1,0,0,0,0|3,0,0]=4 1114 B9R0.19 CCC(F)(F)C(=O)CCO 1458a_100000061896_100000211926 [0,1,0,0,0,0|3,0,0]=4 1115 B9R0.19 CCC(F)(F)C(=O)NNC 22a_100016993582_100000061896 [0,1,0,0,0,0|3,0,0]=4 1116 B9R0.19 CCCC(=O)C(C)(C)C#N 1458a_100000740761_100000210303 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [0,1,0,0,0,0|1,0,0]=2 1118 B9R0.19 CCCC(=O)C(C)(C)CF 1458a_100000138116_100000210303 [0,1,0,0,0,0|2,0,0]=3 1119 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [0,1,0,0,0,0|2,0,0]=3 1120 B9R0.19 CCCC(=O)C(C)(C)OC 1458a_100000753492_100000210303 [0,1,0,0,0,0|2,0,0]=3 1121 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,1,0,0,0,0|1,0,0]=2 1122 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [0,1,0,0,0,0|2,0,0]=3 1123 B9R0.19 CCCN(C)C(C)(C)CC 2230a_200000755171_100000210303 [0,1,0,0,0,0|3,0,0]=4 1124 B9R0.19 CCCN(C)C(C)(C)CC 269982a_100000747261_100000032637 [0,1,0,0,0,0|3,0,0]=4 1125 B9R0.19 CCCN(C)C(C)(C)CC 269982a_200000755171_100000210303 [0,1,0,0,0,0|3,0,0]=4 1126 B9R0.19 CCNC(=O)C(C)(C)C#N 11a_100015525214_100000740761 [0,1,0,0,0,0|2,0,1]=4 1127 B9R0.19 CCNC(=O)C(C)(C)C#N 240690a_100015525214_100000740761 [0,1,0,0,0,0|2,0,1]=4 1128 B9R0.19 CCNC(=O)C(C)(C)C#N 527a_100015525214_100000740761 [0,1,0,0,0,0|2,0,1]=4 1129 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [0,1,0,0,0,0|1,0,0]=2 1130 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [0,1,0,0,0,0|1,0,0]=2 1131 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [0,1,0,0,0,0|1,0,0]=2 1132 B9R0.19 CCNC(=O)C(C)(C)CF 11a_100015525214_100000138116 [0,1,0,0,0,0|2,0,0]=3 1133 B9R0.19 CCNC(=O)C(C)(C)CF 240690a_100015525214_100000138116 [0,1,0,0,0,0|2,0,0]=3 1134 B9R0.19 CCNC(=O)C(C)(C)CF 527a_100015525214_100000138116 [0,1,0,0,0,0|2,0,0]=3 1135 B9R0.19 CCNC(=O)C(C)(C)CO 240690a_100015525214_100000749806 [0,1,0,0,0,0|2,0,0]=3 1136 B9R0.19 CCNC(=O)C(C)(C)CO 527a_100015525214_100000749806 [0,1,0,0,0,0|2,0,0]=3 1137 B9R0.19 CCNC(=O)C(C)(C)OC 11a_100015525214_100000753492 [0,1,0,0,0,0|2,0,0]=3 1138 B9R0.19 CCNC(=O)C(C)(C)OC 240690a_100015525214_100000753492 [0,1,0,0,0,0|2,0,0]=3 1139 B9R0.19 CCNC(=O)C(C)(C)OC 527a_100015525214_100000753492 [0,1,0,0,0,0|2,0,0]=3 1140 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [0,1,0,0,0,0|1,0,0]=2 1141 B9R0.19 CCNC(=O)C(F)(F)CC 11a_100015525214_100000061896 [0,1,0,0,0,0|2,0,0]=3 1142 B9R0.19 CCNC(=O)C(F)(F)CC 240690a_100015525214_100000061896 [0,1,0,0,0,0|2,0,0]=3 1143 B9R0.19 CCNC(=O)C(F)(F)CC 527a_100015525214_100000061896 [0,1,0,0,0,0|2,0,0]=3 1144 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [0,1,0,0,0,0|1,0,0]=2 1145 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [0,1,0,0,0,0|1,0,0]=2 1146 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [0,1,0,0,0,0|1,0,0]=2 1147 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [0,1,0,0,0,0|1,0,0]=2 1148 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [0,1,0,0,0,0|1,0,0]=2 1149 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [0,1,0,0,0,0|1,0,0]=2 1150 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [0,1,0,0,0,0|1,0,0]=2 1151 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [0,1,0,0,0,0|1,0,0]=2 1152 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [0,1,0,0,0,0|1,0,0]=2 1153 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [0,1,0,0,0,0|1,0,0]=2 1154 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [0,1,0,0,0,0|2,0,0]=3 1155 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [0,1,0,0,0,0|2,0,0]=3 1156 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [0,1,0,0,0,0|2,0,0]=3 1157 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [0,1,0,0,0,0|2,0,0]=3 1158 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [0,1,0,0,0,0|2,0,0]=3 1159 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [0,1,0,0,0,0|2,0,0]=3 1160 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [0,1,0,0,0,0|2,0,0]=3 1161 B9R0.19 CNNC(=O)C(C)(C)CF 22a_100016993582_100000138116 [0,1,0,0,0,0|3,0,0]=4 1162 B9R0.19 CNNC(=O)C(C)(C)CO 22a_100016993582_100000749806 [0,1,0,0,0,0|3,0,0]=4 1163 B9R0.19 CNNC(=O)C(C)(C)OC 22a_100016993582_100000753492 [0,1,0,0,0,0|3,0,0]=4 1164 B9R0.19 COC(C)(C)C(=O)CCF 1458a_100000753492_100011217306 [0,1,0,0,0,0|3,0,0]=4 1165 B9R0.19 COC(C)(C)C(=O)CCO 1458a_100000753492_100000211926 [0,1,0,0,0,0|3,0,0]=4 1166 B9R0.23 C#CC(C)C(=O)CC(C)C 1458a_100000210554_200000035995 [0,1,0,0,0,0|1,0,2]=4 1167 B9R0.23 C#CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200000035995 [0,1,0,0,0,0|1,0,2]=4 1168 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,1,0,0,0,0|1,0,2]=4 1169 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [0,1,0,0,0,0|1,0,2]=4 1170 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 11a_100138425928_100020587367 [0,1,0,0,0,0|1,0,2]=4 1171 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_100020587367 [0,1,0,0,0,0|1,0,2]=4 1172 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,1,0,0,0,0|1,0,1]=3 1173 B9R0.23 C=C(C)CC(=O)C(C)OC 1458a_100000743197_100000748629 [0,1,0,0,0,0|2,0,1]=4 1174 B9R0.23 C=C(C)CC(=O)C(C)SC 1458a_100000149566_100000748629 [0,1,0,0,0,0|2,0,1]=4 1175 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,1,0,0,0,0|2,0,1]=4 1176 B9R0.23 C=C(CC(C)C)C(C)NC 269862a_106832991636_100009860644 [0,1,0,0,0,0|3,0,0]=4 1177 B9R0.23 C=C(F)CC(=O)C(C)CC 1458a_100011192722_100009893438 [0,1,0,0,0,0|1,0,2]=4 1178 B9R0.23 C=CC(C)C(=O)CC(C)C 1458a_100011216780_100000210624 [0,1,0,0,0,0|1,0,2]=4 1179 B9R0.23 C=CC(C)C(=O)CC(C)O 1458a_100011216780_100011218427 [0,1,0,0,0,0|1,0,2]=4 1180 B9R0.23 C=CC(C)C(=O)NC(C)C 11a_100138425928_100011216780 [0,1,0,0,0,0|1,0,2]=4 1181 B9R0.23 C=CC(C)C(=O)NC(C)C 1626a_100138425928_100011216780 [0,1,0,0,0,0|1,0,2]=4 1182 B9R0.23 C=CC(C)C(=O)NC(C)C 240690a_100138425928_100011216780 [0,1,0,0,0,0|1,0,2]=4 1183 B9R0.23 C=CC(C)C(=O)NC(C)C 527a_100138425928_100011216780 [0,1,0,0,0,0|1,0,2]=4 1184 B9R0.23 CC(C#N)C(=O)C[C@@H](C)O 1458a_100011933948_100000703298 [0,1,0,0,0,0|2,0,1]=4 1185 B9R0.23 CC(C)CC(=O)C(C)C#N 1458a_100000210554_100000703298 [0,1,0,0,0,0|2,0,1]=4 1186 B9R0.23 CC(C)CC(=O)C(C)C#N 1458a_100000753662_100000210624 [0,1,0,0,0,0|2,0,1]=4 1187 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [0,1,0,0,0,0|3,0,0]=4 1188 B9R0.23 CC(C)NC(=O)C(C)C#N 11a_100138425928_100000753662 [0,1,0,0,0,0|2,0,1]=4 1189 B9R0.23 CC(C)NC(=O)C(C)C#N 1626a_100138425928_100000753662 [0,1,0,0,0,0|2,0,1]=4 1190 B9R0.23 CC(C)NC(=O)C(C)C#N 240690a_100138425928_100000753662 [0,1,0,0,0,0|2,0,1]=4 1191 B9R0.23 CC(C)NC(=O)C(C)C#N 527a_100138425928_100000753662 [0,1,0,0,0,0|2,0,1]=4 1192 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 2230a_100015205314_200025704644 [0,1,0,0,0,0|2,0,0]=3 1193 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 34a_100015205314_200025704644 [0,1,0,0,0,0|2,0,0]=3 1194 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_100000195394_200025704644 [0,1,0,0,0,0|2,0,0]=3 1195 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000195394 [0,1,0,0,0,0|2,0,0]=3 1196 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [0,1,0,0,0,0|3,0,0]=4 1197 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [0,1,0,0,0,0|1,0,0]=2 1198 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [0,1,0,0,0,0|1,0,0]=2 1199 B9R0.23 CC(O)CC(=O)C(C)C#N 1458a_100000753662_100011218427 [0,1,0,0,0,0|2,0,1]=4 1200 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [0,1,0,0,0,0|3,0,0]=4 1201 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,0,0,0,0|2,0,1]=4 1202 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,1,0,0,0,0|1,0,1]=3 1203 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,1,0,0,0,0|1,0,1]=3 1204 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,1,0,0,0,0|1,0,1]=3 1205 B9R0.23 CCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000758301 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,1,0,0,0,0|2,0,1]=4 1209 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,1,0,0,0,0|1,0,0]=2 1210 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,1,0,0,0,0|1,0,0]=2 1211 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,1,0,0,0,0|1,0,0]=2 1212 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [0,1,0,0,0,0|2,0,0]=3 1213 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [0,1,0,0,0,0|2,0,0]=3 1214 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,1,0,0,0,0|1,0,0]=2 1215 B9R0.23 CCC(C)C(=O)C[N+](=O)[O-] 1458a_100011192722_100000761209 [0,1,0,0,0,0|3,0,0]=4 1216 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [0,1,0,0,0,0|2,0,0]=3 1217 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [0,1,0,0,0,0|1,0,0]=2 1218 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [0,1,0,0,0,0|1,0,0]=2 1219 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [0,1,0,0,0,0|1,0,0]=2 1220 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [0,1,0,0,0,0|1,0,0]=2 1221 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [0,1,0,0,0,0|1,0,1]=3 1222 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000741768_100000210760 [0,1,0,0,0,0|3,0,0]=4 1223 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000747067_100000758301 [0,1,0,0,0,0|3,0,0]=4 1224 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000741768_100000210624 [0,1,0,0,0,0|3,0,0]=4 1225 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000747067_100000758301 [0,1,0,0,0,0|3,0,0]=4 1226 B9R0.23 CCC(C)N(C)CC(C)C 270004a_100000741768_100000210432 [0,1,0,0,0,0|3,0,0]=4 1227 B9R0.23 CCC(C)N(C)CC(C)O 2230a_100000227577_100000758301 [0,1,0,0,0,0|3,0,0]=4 1228 B9R0.23 CCC(C)N(C)CC(C)O 2230a_100000741768_100011218427 [0,1,0,0,0,0|3,0,0]=4 1229 B9R0.23 CCC(C)N(C)CC(C)O 269982a_100000227577_100000758301 [0,1,0,0,0,0|3,0,0]=4 1230 B9R0.23 CCC(C)N(C)CC(C)O 269982a_100000741768_100011218427 [0,1,0,0,0,0|3,0,0]=4 1231 B9R0.23 CCC(C)N(C)C[C@@H](C)O 2230a_100000741768_100009817552 [0,1,0,0,0,0|3,0,0]=4 1232 B9R0.23 CCC(C)N(C)C[C@@H](C)O 269982a_100000741768_100009817552 [0,1,0,0,0,0|3,0,0]=4 1233 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,1,0,0,0,0|2,0,0]=3 1234 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,1,0,0,0,0|2,0,0]=3 1235 B9R0.23 CCC(O)C(=O)CC(F)F 1458a_100011196387_100011934356 [0,1,0,0,0,0|3,0,0]=4 1236 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [0,1,0,0,0,0|2,0,0]=3 1237 B9R0.23 CCN(C)C(=O)C=C(C)C 11a_100000225621_100000211388 [0,1,0,0,0,0|2,0,1]=4 1238 B9R0.23 CCN(C)C(=O)C=C(C)C 1626a_100000225621_100000211388 [0,1,0,0,0,0|2,0,1]=4 1239 B9R0.23 CCN(C)C(=O)C=C(C)C 240690a_100000225621_100000211388 [0,1,0,0,0,0|2,0,1]=4 1240 B9R0.23 CCN(C)C(=O)C=C(C)Cl 11a_100000225621_200042562850 [0,1,0,0,0,0|2,0,1]=4 1241 B9R0.23 CCN(C)C(=O)C=C(C)Cl 1626a_100000225621_200042562850 [0,1,0,0,0,0|2,0,1]=4 1242 B9R0.23 CCN(C)C(=O)C=C(C)Cl 240690a_100000225621_200042562850 [0,1,0,0,0,0|2,0,1]=4 1243 B9R0.23 CCN(C)C(=O)C=C(C)I 11a_100000225621_100025716642 [0,1,0,0,0,0|2,0,1]=4 1244 B9R0.23 CCN(C)C(=O)C=C(C)I 1626a_100000225621_100025716642 [0,1,0,0,0,0|2,0,1]=4 1245 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,1,0,0,0,0|2,0,1]=4 1246 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [0,1,0,0,0,0|2,0,0]=3 1247 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [0,1,0,0,0,0|2,0,0]=3 1248 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [0,1,0,0,0,0|2,0,0]=3 1249 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [0,1,0,0,0,0|2,0,0]=3 1250 B9R0.23 CCN(C)C(=O)CN(C)C 11a_100000225621_100000750896 [0,1,0,0,0,0|3,0,0]=4 1251 B9R0.23 CCN(C)C(=O)CN(C)C 2230a_100102631434_100000738999 [0,1,0,0,0,0|3,0,0]=4 1252 B9R0.23 CCN(C)C(=O)CN(C)C 240690a_100000225621_100000750896 [0,1,0,0,0,0|3,0,0]=4 1253 B9R0.23 CCN(C)C(=O)CN(C)C 269982a_100102631434_100000738999 [0,1,0,0,0,0|3,0,0]=4 1254 B9R0.23 CCN(C)C(=O)CN(C)C 527a_100000225621_100000750896 [0,1,0,0,0,0|3,0,0]=4 1255 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [0,1,0,0,0,0|2,0,0]=3 1256 B9R0.23 CCN(C)C(=O)C[S+](C)C 11a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.23 CCN(C)C(=O)C[S+](C)C 1626a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 1258 B9R0.23 CCN(C)C(=O)C[S+](C)C 240690a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 1259 B9R0.23 CCN(C)C(=O)C[S+](C)C 527a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 1260 B9R0.23 CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225621 [0,1,0,0,0,0|2,0,0]=3 1261 B9R0.23 CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225621 [0,1,0,0,0,0|2,0,0]=3 1262 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_100015205314_200000210301 [0,1,0,0,0,0|2,0,0]=3 1263 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_106832991635_100000195394 [0,1,0,0,0,0|2,0,0]=3 1264 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100015205314_200000210301 [0,1,0,0,0,0|2,0,0]=3 1265 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100102657272_100000195394 [0,1,0,0,0,0|2,0,0]=3 1266 B9R0.23 CNC(C)C(=O)NC(C)C 7a_106832991635_100000195394 [0,1,0,0,0,0|2,0,0]=3 1267 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [0,1,0,0,0,0|2,0,0]=3 1268 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [0,1,0,0,0,0|2,0,0]=3 1269 B9R0.23 COC(C)C(=O)CC(F)F 1458a_100000743197_100011934356 [0,1,0,0,0,0|3,0,0]=4 1270 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [0,1,0,0,0,0|2,0,0]=3 1271 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [0,1,0,0,0,0|2,0,0]=3 1272 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [0,1,0,0,0,0|2,0,0]=3 1273 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [0,1,0,0,0,0|2,0,0]=3 1274 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [0,1,0,0,0,0|2,0,0]=3 1275 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [0,1,0,0,0,0|1,0,0]=2 1276 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [0,1,0,0,0,0|1,0,0]=2 1277 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [0,1,0,0,0,0|2,0,0]=3 1278 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [0,1,0,0,0,0|2,0,0]=3 1279 B9R0.23 CSC(C)C(=O)CC(F)F 1458a_100000149566_100011934356 [0,1,0,0,0,0|3,0,0]=4 1280 B9R0.23 CSC(C)C(=O)NC(C)C 11a_100138425928_100000149566 [0,1,0,0,0,0|2,0,0]=3 1281 B9R0.23 CSC(C)C(=O)NC(C)C 1626a_100138425928_100000149566 [0,1,0,0,0,0|2,0,0]=3 1282 B9R0.23 CSC(C)C(=O)NC(C)C 240690a_100138425928_100000149566 [0,1,0,0,0,0|2,0,0]=3 1283 B9R0.23 CSC(C)C(=O)NC(C)C 527a_100138425928_100000149566 [0,1,0,0,0,0|2,0,0]=3 1284 B9R0.23 CSC(C)C(=O)NC(C)C 62a_100000195394_200000210301 [0,1,0,0,0,0|2,0,0]=3 1285 B9R0.23 CSC(C)C(=O)NC(C)C 62a_200000210301_100000195394 [0,1,0,0,0,0|2,0,0]=3 1286 B9R0.27 C#CC(C)C(=O)C(C)CC 1458a_100011192722_200000035995 [0,1,0,0,0,0|1,0,2]=4 1287 B9R0.27 C#CC(C)C(=O)C(O)CC 1458a_100011196387_200000035995 [0,1,0,0,0,0|1,0,2]=4 1288 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [0,1,0,0,0,0|1,0,1]=3 1289 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 11a_100000225621_100020587367 [0,1,0,0,0,0|1,0,2]=4 1290 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 1626a_100000225621_100020587367 [0,1,0,0,0,0|1,0,2]=4 1291 B9R0.27 C=CC(C)C(=O)C(C)CC 1458a_100011216780_100000758301 [0,1,0,0,0,0|1,0,2]=4 1292 B9R0.27 C=CC(C)C(=O)N(C)CC 11a_100000225621_100011216780 [0,1,0,0,0,0|1,0,2]=4 1293 B9R0.27 C=CC(C)C(=O)N(C)CC 1626a_100000225621_100011216780 [0,1,0,0,0,0|1,0,2]=4 1294 B9R0.27 C=CC(C)C(=O)N(C)CC 240690a_100000225621_100011216780 [0,1,0,0,0,0|1,0,2]=4 1295 B9R0.27 C=CC(C)C(=O)N(C)CC 527a_100000225621_100011216780 [0,1,0,0,0,0|1,0,2]=4 1296 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 1297 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 1298 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 1299 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [0,1,0,0,0,0|3,0,0]=4 1300 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,1,0,0,0,0|2,0,0]=3 1301 B9R0.27 CCC(C)C(=O)C(C)C#N 1458a_100000753662_100000758301 [0,1,0,0,0,0|2,0,1]=4 1302 B9R0.27 CCC(C)C(=O)C(C)C#N 1458a_100011192722_100000703298 [0,1,0,0,0,0|2,0,1]=4 1303 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [0,1,0,0,0,0|1,0,0]=2 1304 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [0,1,0,0,0,0|2,0,0]=3 1305 B9R0.27 CCC(C)C(=O)C(C)SC 1458a_100000149566_100000758301 [0,1,0,0,0,0|2,0,0]=3 1306 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,1,0,0,0,0|1,0,0]=2 1307 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,1,0,0,0,0|2,0,0]=3 1308 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [0,1,0,0,0,0|1,0,0]=2 1309 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [0,1,0,0,0,0|1,0,0]=2 1310 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [0,1,0,0,0,0|1,0,0]=2 1311 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [0,1,0,0,0,0|1,0,0]=2 1312 B9R0.27 CCC(C)N(C)C(C)CC 2230a_100000741768_100000758301 [0,1,0,0,0,0|3,0,0]=4 1313 B9R0.27 CCC(C)N(C)C(C)CC 269982a_100000210998_200000210301 [0,1,0,0,0,0|3,0,0]=4 1314 B9R0.27 CCC(C)N(C)C(C)CC 269982a_100000741768_100000758301 [0,1,0,0,0,0|3,0,0]=4 1315 B9R0.27 CCC(C)N([13CH3])C(C)CC 269982a_100000210998_200025704644 [0,1,0,0,0,0|3,0,0]=4 1316 B9R0.27 CCC(O)C(=O)C(C)C#N 1458a_100011196387_100000703298 [0,1,0,0,0,0|2,0,1]=4 1317 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [0,1,0,0,0,0|2,0,0]=3 1318 B9R0.27 CCN(C)C(=O)C(=O)NC 1626a_100000225621_100011218921 [0,1,0,0,0,0|3,0,0]=4 1319 B9R0.27 CCN(C)C(=O)C(=O)NC 240690a_100000225621_100011218921 [0,1,0,0,0,0|3,0,0]=4 1320 B9R0.27 CCN(C)C(=O)C(=O)NC 527a_100000225621_100011218921 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,1,0,0,0,0|3,0,0]=4 1322 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,1,0,0,0,0|3,0,0]=4 1323 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,1,0,0,0,0|3,0,0]=4 1324 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,1,0,0,0,0|3,0,0]=4 1325 B9R0.27 CCN(C)C(=O)C(C)C#N 11a_100000225621_100000753662 [0,1,0,0,0,0|2,0,1]=4 1326 B9R0.27 CCN(C)C(=O)C(C)C#N 1626a_100000225621_100000753662 [0,1,0,0,0,0|2,0,1]=4 1327 B9R0.27 CCN(C)C(=O)C(C)C#N 240690a_100000225621_100000753662 [0,1,0,0,0,0|2,0,1]=4 1328 B9R0.27 CCN(C)C(=O)C(C)C#N 527a_100000225621_100000753662 [0,1,0,0,0,0|2,0,1]=4 1329 B9R0.27 CCN(C)C(=O)C(C)NC 2230a_106832991635_200012002205 [0,1,0,0,0,0|2,0,0]=3 1330 B9R0.27 CCN(C)C(=O)C(C)NC 34a_100102657272_200012002205 [0,1,0,0,0,0|2,0,0]=3 1331 B9R0.27 CCN(C)C(=O)C(C)NC 7a_106832991635_200012002205 [0,1,0,0,0,0|2,0,0]=3 1332 B9R0.27 CCN(C)C(=O)C(C)OC 11a_100000225621_100000743197 [0,1,0,0,0,0|2,0,0]=3 1333 B9R0.27 CCN(C)C(=O)C(C)OC 1626a_100000225621_100000743197 [0,1,0,0,0,0|2,0,0]=3 1334 B9R0.27 CCN(C)C(=O)C(C)OC 240690a_100000225621_100000743197 [0,1,0,0,0,0|2,0,0]=3 1335 B9R0.27 CCN(C)C(=O)C(C)OC 34a_100138415774_200012002205 [0,1,0,0,0,0|2,0,0]=3 1336 B9R0.27 CCN(C)C(=O)C(C)OC 527a_100000225621_100000743197 [0,1,0,0,0,0|2,0,0]=3 1337 B9R0.27 CCN(C)C(=O)C(C)SC 11a_100000225621_100000149566 [0,1,0,0,0,0|2,0,0]=3 1338 B9R0.27 CCN(C)C(=O)C(C)SC 1626a_100000225621_100000149566 [0,1,0,0,0,0|2,0,0]=3 1339 B9R0.27 CCN(C)C(=O)C(C)SC 240690a_100000225621_100000149566 [0,1,0,0,0,0|2,0,0]=3 1340 B9R0.27 CCN(C)C(=O)C(C)SC 527a_100000225621_100000149566 [0,1,0,0,0,0|2,0,0]=3 1341 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200000210301_200012002205 [0,1,0,0,0,0|2,0,0]=3 1342 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200012002205_200000210301 [0,1,0,0,0,0|2,0,0]=3 1343 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200012002205_200025704644 [0,1,0,0,0,0|2,0,0]=3 1344 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200025704644_200012002205 [0,1,0,0,0,0|2,0,0]=3 1345 B9R0.27 CCN(C)C(=O)C(O)CO 240690a_100000225621_100011215603 [0,1,0,0,0,0|3,0,0]=4 1346 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,1,0,0,0,0|3,0,0]=4 1347 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,1,0,0,0,0|3,0,0]=4 1348 B9R0.27 CNC(C)C(=O)N(C)OC 269862a_106832991636_100000090643 [0,1,0,0,0,0|3,0,0]=4 1349 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,1,0,0,0,0|3,0,0]=4 1350 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,1,0,0,0,0|3,0,0]=4 1351 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,1,0,0,0,0|3,0,0]=4 1352 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,1,0,0,0,0|3,0,0]=4 1353 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,1,0,0,0,0|3,0,0]=4 1354 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100000210906_100000184674 [0,1,0,0,0,0|1,0,2]=4 1355 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100011220946_100000766640 [0,1,0,0,0,0|1,0,2]=4 1356 B9R0.35 C#CCC(=O)C(C)CCO 1458a_100011220946_100009893172 [0,1,0,0,0,0|1,0,2]=4 1357 B9R0.35 C#CCC(=O)C(C)COC 1458a_100000751857_100000184674 [0,1,0,0,0,0|1,0,2]=4 1358 B9R0.35 C#CCC(=O)C(C)COC 1458a_100011220946_100000765312 [0,1,0,0,0,0|1,0,2]=4 1359 B9R0.35 C#CCC(=O)C(C)CSC 1458a_100000753918_100000184674 [0,1,0,0,0,0|1,0,2]=4 1360 B9R0.35 C#CCC(=O)C(C)OCC 1458a_100000739345_100000184674 [0,1,0,0,0,0|1,0,2]=4 1361 B9R0.35 C#CCC(=O)C(C)SCC 1458a_100000230601_100000184674 [0,1,0,0,0,0|1,0,2]=4 1362 B9R0.35 C#CCN(C)C(=O)CCC 11a_100000225692_100000211992 [0,1,0,0,0,0|2,0,1]=4 1363 B9R0.35 C#CCN(C)C(=O)CCC 1626a_100000225692_100000211992 [0,1,0,0,0,0|2,0,1]=4 1364 B9R0.35 C#CCN(C)C(=O)CCC 527a_100000225692_100000211992 [0,1,0,0,0,0|2,0,1]=4 1365 B9R0.35 C#CCN(C)C(=O)NCC 2708a_100015525214_100000225692 [0,1,0,0,0,0|2,0,1]=4 1366 B9R0.35 C#CCN(C)C(=O)NCC 273464a_100015525214_100000225692 [0,1,0,0,0,0|2,0,1]=4 1367 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,1,0,0,0,0|0,0,2]=3 1368 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,1,0,0,0,0|0,0,2]=3 1369 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,1,0,0,0,0|0,0,2]=3 1370 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,1,0,0,0,0|0,0,2]=3 1371 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,1,0,0,0,0|0,0,2]=3 1372 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,1,0,0,0,0|0,0,2]=3 1373 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,1,0,0,0,0|0,0,2]=3 1374 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,1,0,0,0,0|1,0,2]=4 1375 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,1,0,0,0,0|1,0,2]=4 1376 B9R0.35 C=CCC(=O)C(C)CCO 1458a_100000210193_100009893172 [0,1,0,0,0,0|1,0,2]=4 1377 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000210193_100000765312 [0,1,0,0,0,0|1,0,2]=4 1378 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000751857_100000210623 [0,1,0,0,0,0|1,0,2]=4 1379 B9R0.35 C=CCC(=O)C(C)CSC 1458a_100000753918_100000210623 [0,1,0,0,0,0|1,0,2]=4 1380 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,1,0,0,0,0|1,0,2]=4 1381 B9R0.35 C=CCC(=O)C(C)SCC 1458a_100000230601_100000210623 [0,1,0,0,0,0|1,0,2]=4 1382 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,1,0,0,0,0|1,0,1]=3 1383 B9R0.35 C=CCC(C)C(=O)CCF 1458a_100011216819_100011217306 [0,1,0,0,0,0|2,0,1]=4 1384 B9R0.35 C=CCC(C)C(=O)CCO 1458a_100011216819_100000211926 [0,1,0,0,0,0|2,0,1]=4 1385 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [0,1,0,0,0,0|1,0,1]=3 1386 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [0,1,0,0,0,0|1,0,1]=3 1387 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [0,1,0,0,0,0|1,0,1]=3 1388 B9R0.35 C=CCC(C)C(=O)NNC 22a_100016993582_100011216819 [0,1,0,0,0,0|2,0,1]=4 1389 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [0,1,0,0,0,0|2,0,1]=4 1390 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [0,1,0,0,0,0|2,0,1]=4 1391 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [0,1,0,0,0,0|2,0,1]=4 1392 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.35 C=CCN(C)C(=O)NCC 2708a_100015525214_100000225617 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.35 C=CCN(C)C(=O)NCC 273464a_100015525214_100000225617 [0,1,0,0,0,0|2,0,1]=4 1395 B9R0.35 CC#CC(=O)C(C)CC#N 1458a_100000763181_100009813641 [0,1,0,0,0,0|1,0,2]=4 1396 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,1,0,0,0,0|1,0,1]=3 1397 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [0,1,0,0,0,0|1,0,1]=3 1398 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [0,1,0,0,0,0|1,0,1]=3 1399 B9R0.35 CC(CC#N)C(=O)CCO 1458a_100011216618_100009813641 [0,1,0,0,0,0|2,0,1]=4 1400 B9R0.35 CC(CCO)C(=O)C=CBr 1458a_100016273825_100009893172 [0,1,0,0,0,0|2,0,1]=4 1401 B9R0.35 CC(CCO)C(=O)C=CCl 1458a_200016279998_100009893172 [0,1,0,0,0,0|2,0,1]=4 1402 B9R0.35 CC(CCO)C(=O)C=CI 1458a_100016256311_100009893172 [0,1,0,0,0,0|2,0,1]=4 1403 B9R0.35 CC(CCO)C(=O)CC#N 1458a_100051588842_100009893172 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,1,0,0,0,0|2,0,0]=3 1405 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,1,0,0,0,0|1,0,1]=3 1406 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,1,0,0,0,0|2,0,1]=4 1407 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,1,0,0,0,0|2,0,1]=4 1408 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,1,0,0,0,0|1,0,1]=3 1409 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,1,0,0,0,0|1,0,1]=3 1410 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,1,0,0,0,0|1,0,1]=3 1411 B9R0.35 CC/C=C(\C)/C(=O)NNC 22a_100016993582_100016988807 [0,1,0,0,0,0|2,0,1]=4 1412 B9R0.35 CC=CC(=O)C(C)CC#N 1458a_100000210699_100009813641 [0,1,0,0,0,0|1,0,2]=4 1413 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,1,0,0,0,0|1,0,1]=3 1414 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [0,1,0,0,0,0|1,0,1]=3 1415 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,1,0,0,0,0|1,0,1]=3 1416 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,1,0,0,0,0|2,0,1]=4 1417 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,1,0,0,0,0|2,0,1]=4 1418 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,1,0,0,0,0|2,0,1]=4 1419 B9R0.35 CC=CC(=O)N(C)CCO 240690a_100000210263_100000210699 [0,1,0,0,0,0|2,0,1]=4 1420 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,1,0,0,0,0|2,0,1]=4 1421 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,1,0,0,0,0|2,0,1]=4 1422 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,1,0,0,0,0|1,0,1]=3 1423 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,1,0,0,0,0|1,0,0]=2 1424 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,1,0,0,0,0|1,0,0]=2 1425 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,1,0,0,0,0|1,0,0]=2 1426 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,1,0,0,0,0|1,0,0]=2 1427 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,1,0,0,0,0|1,0,0]=2 1428 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,1,0,0,0,0|1,0,0]=2 1429 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,1,0,0,0,0|1,0,0]=2 1430 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,1,0,0,0,0|1,0,0]=2 1431 B9R0.35 CCCC(=O)N(C)CC#N 11a_100000748184_100000211992 [0,1,0,0,0,0|2,0,1]=4 1432 B9R0.35 CCCC(=O)N(C)CC#N 1626a_100000748184_100000211992 [0,1,0,0,0,0|2,0,1]=4 1433 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,1,0,0,0,0|2,0,0]=3 1434 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,1,0,0,0,0|2,0,0]=3 1435 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,1,0,0,0,0|2,0,0]=3 1436 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,1,0,0,0,0|2,0,0]=3 1437 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,1,0,0,0,0|2,0,0]=3 1438 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,1,0,0,0,0|2,0,0]=3 1439 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,1,0,0,0,0|2,0,0]=3 1440 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,1,0,0,0,0|2,0,1]=4 1441 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,1,0,0,0,0|2,0,1]=4 1442 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,1,0,0,0,0|2,0,1]=4 1443 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100000210906_100011214920 [0,1,0,0,0,0|2,0,1]=4 1444 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100051588842_100000766640 [0,1,0,0,0,0|2,0,1]=4 1445 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,1,0,0,0,0|2,0,0]=3 1446 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,1,0,0,0,0|2,0,0]=3 1447 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,1,0,0,0,0|2,0,0]=3 1448 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,1,0,0,0,0|2,0,0]=3 1449 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,1,0,0,0,0|2,0,0]=3 1450 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,1,0,0,0,0|1,0,0]=2 1451 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,1,0,0,0,0|1,0,0]=2 1452 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,1,0,0,0,0|1,0,0]=2 1453 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,1,0,0,0,0|2,0,0]=3 1454 B9R0.35 CCCC(C)C(C)NCC 270004a_100015525214_100011216282 [0,1,0,0,0,0|2,0,1]=4 1455 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,1,0,0,0,0|1,0,1]=3 1456 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,1,0,0,0,0|1,0,1]=3 1457 B9R0.35 CCCC(C)C(C)OCF 34a_100000708338_100015361967 [0,1,0,0,0,0|2,0,1]=4 1458 B9R0.35 CCCC(C)C(C)OCF 7a_100000708338_100015361967 [0,1,0,0,0,0|2,0,1]=4 1459 B9R0.35 CCCC(C)N(C)CCC 2230a_100000747261_100000766640 [0,1,0,0,0,0|3,0,0]=4 1460 B9R0.35 CCCC(C)N(C)CCC 269982a_100000747261_100000766640 [0,1,0,0,0,0|3,0,0]=4 1461 B9R0.35 CCCC(C)N(C)CCC 270004a_100000747261_100000211909 [0,1,0,0,0,0|3,0,0]=4 1462 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,1,0,0,0,0|3,0,0]=4 1463 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,1,0,0,0,0|3,0,0]=4 1464 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,1,0,0,0,0|3,0,0]=4 1465 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,1,0,0,0,0|3,0,0]=4 1466 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,1,0,0,0,0|3,0,0]=4 1467 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,1,0,0,0,0|3,0,0]=4 1468 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,1,0,0,0,0|3,0,0]=4 1469 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,1,0,0,0,0|3,0,0]=4 1470 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,1,0,0,0,0|3,0,0]=4 1471 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,1,0,0,0,0|2,0,0]=3 1472 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,1,0,0,0,0|2,0,0]=3 1473 B9R0.35 CCCN(C)C(C)CCO 2230a_100000731037_100000210303 [0,1,0,0,0,0|3,0,0]=4 1474 B9R0.35 CCCN(C)C(C)CCO 2230a_100000747261_100009893172 [0,1,0,0,0,0|3,0,0]=4 1475 B9R0.35 CCCN(C)C(C)CCO 269982a_100000731037_100000210303 [0,1,0,0,0,0|3,0,0]=4 1476 B9R0.35 CCCN(C)C(C)CCO 269982a_100000747261_100009893172 [0,1,0,0,0,0|3,0,0]=4 1477 B9R0.35 CCCN(C)C(C)COC 2230a_100000747261_100000765312 [0,1,0,0,0,0|3,0,0]=4 1478 B9R0.35 CCCN(C)C(C)COC 269982a_100000747261_100000765312 [0,1,0,0,0,0|3,0,0]=4 1479 B9R0.35 CCCN(C)C(C)COC 270004a_100000747261_100000749346 [0,1,0,0,0,0|3,0,0]=4 1480 B9R0.35 CCCN(C)C(C)CSC 270004a_100000747261_100011216314 [0,1,0,0,0,0|3,0,0]=4 1481 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,1,0,0,0,0|3,0,0]=4 1482 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,1,0,0,0,0|3,0,0]=4 1483 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,1,0,0,0,0|2,0,0]=3 1484 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,1,0,0,0,0|3,0,0]=4 1485 B9R0.35 CCNC(=O)/C(=N/OC)/C 11a_100015525214_100160996864 [0,1,0,0,0,0|2,0,1]=4 1486 B9R0.35 CCNC(=O)/C(=N/OC)/C 240690a_100015525214_100160996864 [0,1,0,0,0,0|2,0,1]=4 1487 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,1,0,0,0,0|2,0,1]=4 1488 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,1,0,0,0,0|2,0,1]=4 1489 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,1,0,0,0,0|2,0,1]=4 1490 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,1,0,0,0,0|2,0,1]=4 1491 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,1,0,0,0,0|1,0,1]=3 1492 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,1,0,0,0,0|1,0,1]=3 1493 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,1,0,0,0,0|1,0,0]=2 1494 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,1,0,0,0,0|1,0,0]=2 1495 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,1,0,0,0,0|1,0,0]=2 1496 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,1,0,0,0,0|1,0,0]=2 1497 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,1,0,0,0,0|1,0,0]=2 1498 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,1,0,0,0,0|1,0,0]=2 1499 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,1,0,0,0,0|1,0,0]=2 1500 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,1,0,0,0,0|1,0,0]=2 1501 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,1,0,0,0,0|1,0,0]=2 1502 B9R0.35 CCNC(=O)C(C)NCF 34a_100000736553_100015361967 [0,1,0,0,0,0|2,0,0]=3 1503 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,1,0,0,0,0|1,0,0]=2 1504 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,1,0,0,0,0|1,0,0]=2 1505 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,1,0,0,0,0|1,0,0]=2 1506 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,1,0,0,0,0|1,0,0]=2 1507 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,1,0,0,0,0|1,0,0]=2 1508 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,1,0,0,0,0|1,0,0]=2 1509 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,1,0,0,0,0|1,0,0]=2 1510 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,1,0,0,0,0|1,0,0]=2 1511 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,1,0,0,0,0|1,0,0]=2 1512 B9R0.35 CCNC(=O)C(C)SCF 62a_100000230173_100015361967 [0,1,0,0,0,0|2,0,0]=3 1513 B9R0.35 CCNC(=O)C(C)SCF 62a_100015361967_100000230173 [0,1,0,0,0,0|2,0,0]=3 1514 B9R0.35 CCNC(=O)N(C)CC#N 273464a_100015525214_100000748184 [0,1,0,0,0,0|2,0,1]=4 1515 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [0,1,0,0,0,0|2,0,0]=3 1516 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [0,1,0,0,0,0|2,0,0]=3 1517 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,1,0,0,0,0|0,0,0]=1 1518 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,1,0,0,0,0|1,0,0]=2 1519 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,1,0,0,0,0|0,1,0]=2 1520 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,1,0,0,0,0|1,0,1]=3 1521 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,1,0,0,0,0|1,0,1]=3 1522 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,1,0,0,0,0|1,0,1]=3 1523 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,1,0,0,0,0|1,0,1]=3 1524 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,1,0,0,0,0|0,0,0]=1 1525 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,1,0,0,0,0|0,0,0]=1 1526 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,1,0,0,0,0|0,0,0]=1 1527 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,1,0,0,0,0|1,0,0]=2 1528 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,1,0,0,0,0|1,0,0]=2 1529 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,1,0,0,0,0|1,0,0]=2 1530 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,1,0,0,0,0|1,0,0]=2 1531 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,1,0,0,0,0|1,0,0]=2 1532 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,1,0,0,0,0|2,0,0]=3 1533 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,1,0,0,0,0|2,0,0]=3 1534 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,1,0,0,0,0|0,0,0]=1 1535 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,1,0,0,0,0|1,0,0]=2 1536 B9R0.35 CCOC(C)C(=O)CC#N 1458a_100000739345_100011214920 [0,1,0,0,0,0|2,0,1]=4 1537 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,1,0,0,0,0|2,0,0]=3 1538 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,1,0,0,0,0|2,0,0]=3 1539 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,1,0,0,0,0|2,0,0]=3 1540 B9R0.35 CCSC(C)C(=O)CC#N 1458a_100000230601_100011214920 [0,1,0,0,0,0|2,0,1]=4 1541 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,1,0,0,0,0|2,0,0]=3 1542 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,1,0,0,0,0|2,0,0]=3 1543 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [0,1,0,0,0,0|2,0,0]=3 1544 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [0,1,0,0,0,0|3,0,0]=4 1545 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [0,1,0,0,0,0|2,0,0]=3 1546 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,1,0,0,0,0|2,0,0]=3 1547 B9R0.35 COCC(=O)C(C)CC#N 1458a_100000210968_100009813641 [0,1,0,0,0,0|2,0,1]=4 1548 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,1,0,0,0,0|2,0,0]=3 1549 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,1,0,0,0,0|2,0,0]=3 1550 B9R0.35 COCC(=O)N(C)CCO 240690a_100000210263_100000210968 [0,1,0,0,0,0|3,0,0]=4 1551 B9R0.35 COCC(=O)N(C)CCO 527a_100000210263_100000210968 [0,1,0,0,0,0|3,0,0]=4 1552 B9R0.35 COCC(C)C(=O)C=CBr 1458a_100016273825_100000765312 [0,1,0,0,0,0|2,0,1]=4 1553 B9R0.35 COCC(C)C(=O)C=CCl 1458a_200016279998_100000765312 [0,1,0,0,0,0|2,0,1]=4 1554 B9R0.35 COCC(C)C(=O)C=CI 1458a_100016256311_100000765312 [0,1,0,0,0,0|2,0,1]=4 1555 B9R0.35 COCC(C)C(=O)CC#N 1458a_100000751857_100011214920 [0,1,0,0,0,0|2,0,1]=4 1556 B9R0.35 COCC(C)C(=O)CC#N 1458a_100051588842_100000765312 [0,1,0,0,0,0|2,0,1]=4 1557 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,1,0,0,0,0|2,0,0]=3 1558 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,1,0,0,0,0|2,0,0]=3 1559 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,1,0,0,0,0|2,0,0]=3 1560 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,1,0,0,0,0|2,0,0]=3 1561 B9R0.35 CSCC(=O)C(C)CC#N 1458a_100000184570_100009813641 [0,1,0,0,0,0|2,0,1]=4 1562 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,1,0,0,0,0|2,0,0]=3 1563 B9R0.35 CSCC(=O)N(C)CCO 240690a_100000210263_100000184570 [0,1,0,0,0,0|3,0,0]=4 1564 B9R0.35 CSCC(=O)N(C)CCO 527a_100000210263_100000184570 [0,1,0,0,0,0|3,0,0]=4 1565 B9R0.35 CSCC(C)C(=O)CC#N 1458a_100000753918_100011214920 [0,1,0,0,0,0|2,0,1]=4 1566 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,1,0,0,0,0|2,0,0]=3 1567 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,1,0,0,0,0|2,0,0]=3 1568 B9R0.37 C#CCC(=O)C(CC)CC 1458a_100000211163_100000184674 [0,1,0,0,0,0|1,0,2]=4 1569 B9R0.37 C#CCC(=O)C(CC)CC 1458a_100011220946_100000210505 [0,1,0,0,0,0|1,0,2]=4 1570 B9R0.37 C#CCC(=O)C(CC)OC 1458a_100000747056_100000184674 [0,1,0,0,0,0|1,0,2]=4 1571 B9R0.37 C=CCC(=O)C(CC)CC 1458a_100000210193_100000210505 [0,1,0,0,0,0|1,0,2]=4 1572 B9R0.37 C=CCC(=O)C(CC)CC 1458a_100000211163_100000210623 [0,1,0,0,0,0|1,0,2]=4 1573 B9R0.37 C=CCC(=O)C(CC)OC 1458a_100000747056_100000210623 [0,1,0,0,0,0|1,0,2]=4 1574 B9R0.37 CC#CC(=O)C(CC)CC 1458a_100000763181_100000210505 [0,1,0,0,0,0|1,0,1]=3 1575 B9R0.37 CC=CC(=O)C(CC)CC 1458a_100000210699_100000210505 [0,1,0,0,0,0|1,0,1]=3 1576 B9R0.37 CC=CC(=O)N(CC)CC 11a_100000724800_100000210699 [0,1,0,0,0,0|2,0,1]=4 1577 B9R0.37 CC=CC(=O)N(CC)CC 1626a_100000724800_100000210699 [0,1,0,0,0,0|2,0,1]=4 1578 B9R0.37 CC=CC(=O)N(CC)CC 240690a_100000724800_100000210699 [0,1,0,0,0,0|2,0,1]=4 1579 B9R0.37 CCC(CC)C(=O)C=CBr 1458a_100016273825_100000210505 [0,1,0,0,0,0|2,0,1]=4 1580 B9R0.37 CCC(CC)C(=O)C=CCl 1458a_200016279998_100000210505 [0,1,0,0,0,0|2,0,1]=4 1581 B9R0.37 CCC(CC)C(=O)C=CI 1458a_100016256311_100000210505 [0,1,0,0,0,0|2,0,1]=4 1582 B9R0.37 CCC(CC)C(=O)CC#N 1458a_100000211163_100011214920 [0,1,0,0,0,0|2,0,1]=4 1583 B9R0.37 CCC(CC)C(=O)CC#N 1458a_100051588842_100000210505 [0,1,0,0,0,0|2,0,1]=4 1584 B9R0.37 CCC(CC)C(=O)CCF 1458a_100000211163_100011217306 [0,1,0,0,0,0|2,0,0]=3 1585 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [0,1,0,0,0,0|2,0,0]=3 1586 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [0,1,0,0,0,0|2,0,0]=3 1587 B9R0.37 CCC(CC)C(=O)COC 1458a_100000210968_100000210505 [0,1,0,0,0,0|2,0,0]=3 1588 B9R0.37 CCC(CC)C(=O)CSC 1458a_100000184570_100000210505 [0,1,0,0,0,0|2,0,0]=3 1589 B9R0.37 CCC(CC)C(=O)NNC 22a_100016993582_100000211163 [0,1,0,0,0,0|2,0,0]=3 1590 B9R0.37 CCC(OC)C(=O)CC#N 1458a_100000747056_100011214920 [0,1,0,0,0,0|2,0,1]=4 1591 B9R0.37 CCC(OC)C(=O)CCF 1458a_100000747056_100011217306 [0,1,0,0,0,0|2,0,0]=3 1592 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [0,1,0,0,0,0|2,0,0]=3 1593 B9R0.37 CCC(OC)C(=O)NNC 22a_100016993582_100000747056 [0,1,0,0,0,0|2,0,0]=3 1594 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,1,0,0,0,0|1,0,0]=2 1595 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,1,0,0,0,0|1,0,0]=2 1596 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,1,0,0,0,0|1,0,0]=2 1597 B9R0.37 CCCC(=O)C(OC)OC 1458a_100000046285_100000210303 [0,1,0,0,0,0|2,0,0]=3 1598 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,1,0,0,0,0|2,0,0]=3 1599 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,1,0,0,0,0|2,0,0]=3 1600 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,1,0,0,0,0|2,0,0]=3 1601 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,1,0,0,0,0|2,0,0]=3 1602 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [0,1,0,0,0,0|2,0,1]=4 1603 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [0,1,0,0,0,0|2,0,1]=4 1604 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [0,1,0,0,0,0|2,0,1]=4 1605 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [0,1,0,0,0,0|2,0,1]=4 1606 B9R0.37 CCCN(C)C(CC)CC 2230a_100000737045_100000210303 [0,1,0,0,0,0|3,0,0]=4 1607 B9R0.37 CCCN(C)C(CC)CC 2230a_100015185089_200000210301 [0,1,0,0,0,0|3,0,0]=4 1608 B9R0.37 CCCN(C)C(CC)CC 269982a_100000737045_100000210303 [0,1,0,0,0,0|3,0,0]=4 1609 B9R0.37 CCCN(C)C(CC)CC 269982a_100000747261_100000210505 [0,1,0,0,0,0|3,0,0]=4 1610 B9R0.37 CCCN(C)C(CC)CC 269982a_100015185089_200000210301 [0,1,0,0,0,0|3,0,0]=4 1611 B9R0.37 CCCN(C)C(CC)CC 270004a_100000747261_100000210860 [0,1,0,0,0,0|3,0,0]=4 1612 B9R0.37 CCCN([13CH3])C(CC)CC 2230a_100015185089_200025704644 [0,1,0,0,0,0|3,0,0]=4 1613 B9R0.37 CCCN([13CH3])C(CC)CC 269982a_100015185089_200025704644 [0,1,0,0,0,0|3,0,0]=4 1614 B9R0.37 CCN(CC)C(=O)CCO 240690a_100000724800_100011216618 [0,1,0,0,0,0|3,0,0]=4 1615 B9R0.37 CCN(CC)C(=O)CNC 2230a_100000174916_200000210301 [0,1,0,0,0,0|3,0,0]=4 1616 B9R0.37 CCN(CC)C(=O)CNC 2230a_106832991635_100000211521 [0,1,0,0,0,0|3,0,0]=4 1617 B9R0.37 CCN(CC)C(=O)CNC 34a_100102657272_100000211521 [0,1,0,0,0,0|3,0,0]=4 1618 B9R0.37 CCN(CC)C(=O)CNC 7a_106832991635_100000211521 [0,1,0,0,0,0|3,0,0]=4 1619 B9R0.37 CCN(CC)C(=O)CN[13CH3] 2230a_100000174916_200025704644 [0,1,0,0,0,0|3,0,0]=4 1620 B9R0.37 CCN(CC)C(=O)COC 11a_100000724800_100000210968 [0,1,0,0,0,0|3,0,0]=4 1621 B9R0.37 CCN(CC)C(=O)COC 1626a_100000724800_100000210968 [0,1,0,0,0,0|3,0,0]=4 1622 B9R0.37 CCN(CC)C(=O)COC 240690a_100000724800_100000210968 [0,1,0,0,0,0|3,0,0]=4 1623 B9R0.37 CCN(CC)C(=O)COC 34a_100138415774_100000211521 [0,1,0,0,0,0|3,0,0]=4 1624 B9R0.37 CCN(CC)C(=O)COC 527a_100000724800_100000210968 [0,1,0,0,0,0|3,0,0]=4 1625 B9R0.37 CCN(CC)C(=O)COC 7a_200000238847_200000210301 [0,1,0,0,0,0|3,0,0]=4 1626 B9R0.37 CCN(CC)C(=O)CO[13CH3] 7a_200000238847_200025704644 [0,1,0,0,0,0|3,0,0]=4 1627 B9R0.37 CCN(CC)C(=O)CSC 11a_100000724800_100000184570 [0,1,0,0,0,0|3,0,0]=4 1628 B9R0.37 CCN(CC)C(=O)CSC 1626a_100000724800_100000184570 [0,1,0,0,0,0|3,0,0]=4 1629 B9R0.37 CCN(CC)C(=O)CSC 240690a_100000724800_100000184570 [0,1,0,0,0,0|3,0,0]=4 1630 B9R0.37 CCN(CC)C(=O)CSC 527a_100000724800_100000184570 [0,1,0,0,0,0|3,0,0]=4 1631 B9R0.37 CCN(CC)C(=O)CSC 62a_100000211521_200000210301 [0,1,0,0,0,0|3,0,0]=4 1632 B9R0.37 CCN(CC)C(=O)CSC 62a_200000210301_100000211521 [0,1,0,0,0,0|3,0,0]=4 1633 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_100000211521_200025704644 [0,1,0,0,0,0|3,0,0]=4 1634 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_200025704644_100000211521 [0,1,0,0,0,0|3,0,0]=4 1635 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [0,1,0,0,0,0|1,0,0]=2 1636 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [0,1,0,0,0,0|1,0,0]=2 1637 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [0,1,0,0,0,0|1,0,0]=2 1638 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [0,1,0,0,0,0|1,0,0]=2 1639 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [0,1,0,0,0,0|1,0,0]=2 1640 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [0,1,0,0,0,0|1,0,0]=2 1641 B9R0.37 CCNC(=O)C(OC)OC 11a_100015525214_100000046285 [0,1,0,0,0,0|2,0,0]=3 1642 B9R0.37 CCNC(=O)C(OC)OC 240690a_100015525214_100000046285 [0,1,0,0,0,0|2,0,0]=3 1643 B9R0.37 CCNC(=O)C(OC)OC 527a_100015525214_100000046285 [0,1,0,0,0,0|2,0,0]=3 1644 B9R0.37 CCNC(=O)N(CC)CC 2708a_100015525214_100000724800 [0,1,0,0,0,0|2,0,0]=3 1645 B9R0.37 CCNC(=O)N(CC)CC 273464a_100015525214_100000724800 [0,1,0,0,0,0|2,0,0]=3 1646 B9R0.37 CCNC(C)C(CC)CC 269862a_100015525214_100011393642 [0,1,0,0,0,0|2,0,1]=4 1647 B9R0.37 CCNC(C)C(CC)CC 270004a_100015525214_100011393642 [0,1,0,0,0,0|2,0,1]=4 1648 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,1,0,0,0,0|1,0,1]=3 1649 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,1,0,0,0,0|1,0,1]=3 1650 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,1,0,0,0,0|1,0,1]=3 1651 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,1,0,0,0,0|1,0,1]=3 1652 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [0,1,0,0,0,0|0,0,0]=1 1653 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [0,1,0,0,0,0|0,0,0]=1 1654 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [0,1,0,0,0,0|0,0,0]=1 1655 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,1,0,0,0,0|0,0,0]=1 1656 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,1,0,0,0,0|0,0,0]=1 1657 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,1,0,0,0,0|0,0,0]=1 1658 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,1,0,0,0,0|0,0,0]=1 1659 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,1,0,0,0,0|0,0,0]=1 1660 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [0,1,0,0,0,0|0,0,0]=1 1661 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [0,1,0,0,0,0|0,0,0]=1 1662 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [0,1,0,0,0,0|0,0,0]=1 1663 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [0,1,0,0,0,0|0,0,0]=1 1664 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [0,1,0,0,0,0|1,0,0]=2 1665 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [0,1,0,0,0,0|1,0,0]=2 1666 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [0,1,0,0,0,0|1,0,0]=2 1667 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [0,1,0,0,0,0|1,0,0]=2 1668 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [0,1,0,0,0,0|1,0,0]=2 1669 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [0,1,0,0,0,0|1,0,0]=2 1670 B9R0.37 CCOC(C)C(OC)OC 34a_100000754440_100000210202 [0,1,0,0,0,0|2,0,1]=4 1671 B9R0.37 CCOC(C)C(OC)OC 34a_100121572206_100011222894 [0,1,0,0,0,0|2,0,1]=4 1672 B9R0.37 CCOC(C)C(OC)OC 7a_100000754440_100000210202 [0,1,0,0,0,0|2,0,1]=4 1673 B9R0.37 CNNC(=O)C(OC)OC 22a_100016993582_100000046285 [0,1,0,0,0,0|3,0,0]=4 1674 B9R0.37 COC(OC)C(=O)CCF 1458a_100000046285_100011217306 [0,1,0,0,0,0|3,0,0]=4 1675 B9R0.37 COC(OC)C(=O)CCO 1458a_100000046285_100000211926 [0,1,0,0,0,0|3,0,0]=4 1676 B9R0.60 CCCS(=O)(=O)N(C)CC 270084a_100000225621_100000211391 [0,1,0,0,0,0|3,0,0]=4 1677 B9R0.60 CCCS(=O)(=O)N(C)CC 274078a_100000225621_100000211391 [0,1,0,0,0,0|3,0,0]=4 1678 B9R0.60 CCCS(=O)(=O)N(C)CC 40a_100000225621_100000054278 [0,1,0,0,0,0|3,0,0]=4 1679 B9R0.60 CCNS(=O)(=O)C(C)CC 270084a_100015525214_100000685195 [0,1,0,0,0,0|2,0,0]=3 1680 B9R0.60 CCNS(=O)(=O)C(C)CC 274078a_100015525214_100000685195 [0,1,0,0,0,0|2,0,0]=3 1681 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,0,0,1,0,0|2,0,0]=3 1682 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,0,0,1,0,0|2,0,0]=3 1683 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,0,0,1,0,0|2,0,0]=3 1684 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,0,0,1,0,0|2,0,0]=3 1685 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,0,0,1,0,0|2,0,0]=3 1686 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,0,0,1,0,0|2,0,0]=3 1687 B9R1.11 CC(N[13CH3])C1CCCO1 2230a_100025754208_200025704644 [0,0,0,1,0,0|2,0,1]=4 1688 B9R1.11 CC(N[13CH3])C1CCCO1 34a_100025754208_200025704644 [0,0,0,1,0,0|2,0,1]=4 1689 B9R1.11 CCC(C)N1CCCC1 2230a_100000188435_100000758301 [0,0,0,1,0,0|3,0,0]=4 1690 B9R1.11 CCC(C)N1CCCC1 269982a_100000188435_100000758301 [0,0,0,1,0,0|3,0,0]=4 1691 B9R1.11 CNC(C)C1CCCO1 2230a_100025754208_200000210301 [0,0,0,1,0,0|2,0,1]=4 1692 B9R1.11 CNC(C)C1CCCO1 34a_100025754208_200000210301 [0,0,0,1,0,0|2,0,1]=4 1693 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 1694 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 1695 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,0,0,1,0,0|3,0,0]=4 1696 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 1697 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 1698 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,0,0,1,0,0|3,0,0]=4 1699 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,0,0,1,0,0|2,0,0]=3 1700 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,0,0,1,0,0|2,0,0]=3 1701 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,0,0,1,0,0|2,0,0]=3 1702 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,0,0,1,0,0|2,0,0]=3 1703 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,0,0,1,0,0|2,0,0]=3 1704 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,0,0,1,0,0|2,0,0]=3 1705 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,0,0,1,0,0|2,0,0]=3 1706 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,0,0,1,0,0|3,0,0]=4 1707 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,0,0,1,0,0|3,0,0]=4 1708 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,0,0,1,0,0|2,0,0]=3 1709 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,0,0,1,0,0|2,0,0]=3 1710 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,0,0,1,0,0|2,0,0]=3 1711 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,0,0,1,0,0|2,0,0]=3 1712 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,0,0,1,0,0|3,0,0]=4 1713 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,0,0,1,0,0|2,0,0]=3 1714 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,0,0,1,0,0|2,0,0]=3 1715 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,0,0,1,0,0|2,0,0]=3 1716 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,0,0,1,0,0|2,0,0]=3 1717 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,0,0,1,0,0|3,0,0]=4 1718 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,0,0,1,0,0|3,0,0]=4 1719 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,0,0,1,0,0|2,0,0]=3 1720 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,0,0,1,0,0|2,0,0]=3 1721 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,0,0,1,0,0|2,0,0]=3 1722 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,0,0,1,0,0|2,0,0]=3 1723 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,0,0,1,0,0|2,0,0]=3 1724 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,0,0,1,0,0|2,0,0]=3 1725 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,0,0,1,0,0|2,0,0]=3 1726 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,0,0,1,0,0|2,0,0]=3 1727 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,0,0,1,0,0|3,0,0]=4 1728 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,0,0,1,0,0|3,0,0]=4 1729 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,0,0,1,0,0|1,0,0]=2 1730 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,0,0,1,0,0|1,0,0]=2 1731 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,0,0,1,0,0|1,0,0]=2 1732 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,0,0,1,0,0|1,0,0]=2 1733 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,0,0,1,0,0|1,0,0]=2 1734 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,0,0,1,0,0|1,0,0]=2 1735 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,0,0,1,0,0|1,0,0]=2 1736 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,0,0,1,0,0|1,0,0]=2 1737 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [0,0,0,1,0,0|2,0,1]=4 1738 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [0,0,0,1,0,0|2,0,1]=4 1739 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [0,0,0,1,0,0|3,0,0]=4 1740 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [0,0,0,1,0,0|3,0,0]=4 1741 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [0,0,0,1,0,0|3,0,0]=4 1742 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [0,0,0,1,0,0|3,0,0]=4 1743 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [0,0,0,1,0,0|3,0,0]=4 1744 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,0,0,1,0,0|2,0,1]=4 1745 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,0,0,1,0,0|1,0,1]=3 1746 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,0,0,1,0,0|1,0,1]=3 1747 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,0,0,1,0,0|2,0,1]=4 1748 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,0,0,1,0,0|2,0,1]=4 1749 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [0,0,0,1,0,0|2,0,1]=4 1750 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,0,0,1,0,0|3,0,0]=4 1751 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,0,0,1,0,0|3,0,0]=4 1752 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,0,0,1,0,0|3,0,0]=4 1753 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,0,0,1,0,0|3,0,0]=4 1754 B9R1.73 C#CCC(=O)C1CCC1 1458a_100000209988_100000184674 [0,0,0,1,0,0|1,0,2]=4 1755 B9R1.73 C#CCC(=O)C1CCC1 1458a_100011220946_100000749161 [0,0,0,1,0,0|1,0,2]=4 1756 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000209988_100000210623 [0,0,0,1,0,0|1,0,2]=4 1757 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000210193_100000749161 [0,0,0,1,0,0|1,0,2]=4 1758 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [0,0,0,1,0,0|1,0,1]=3 1759 B9R1.73 CC#CC(=O)C1COC1 1458a_100000763181_100000687716 [0,0,0,1,0,0|2,0,1]=4 1760 B9R1.73 CC(OCF)C1CCC1 34a_100000766398_100015361967 [0,0,0,1,0,0|2,0,1]=4 1761 B9R1.73 CC(OCF)C1CCC1 7a_100000766398_100015361967 [0,0,0,1,0,0|2,0,1]=4 1762 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [0,0,0,1,0,0|1,0,1]=3 1763 B9R1.73 CC=CC(=O)C1COC1 1458a_100000210699_100000687716 [0,0,0,1,0,0|2,0,1]=4 1764 B9R1.73 CC=CC(=O)N1CCC1 11a_100000754969_100000210699 [0,0,0,1,0,0|2,0,1]=4 1765 B9R1.73 CC=CC(=O)N1CCC1 240690a_100000754969_100000210699 [0,0,0,1,0,0|2,0,1]=4 1766 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,0,0,1,0,0|1,0,0]=2 1767 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,0,0,1,0,0|1,0,0]=2 1768 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,0,0,1,0,0|2,0,0]=3 1769 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,0,0,1,0,0|2,0,0]=3 1770 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,0,0,1,0,0|2,0,0]=3 1771 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,0,0,1,0,0|2,0,0]=3 1772 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,0,0,1,0,0|2,0,0]=3 1773 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,0,0,1,0,0|2,0,0]=3 1774 B9R1.73 CCCN(C)C1CCC1 2230a_100000758072_100000210303 [0,0,0,1,0,0|3,0,0]=4 1775 B9R1.73 CCCN(C)C1CCC1 269982a_100000747261_100000749161 [0,0,0,1,0,0|3,0,0]=4 1776 B9R1.73 CCCN(C)C1CCC1 269982a_100000758072_100000210303 [0,0,0,1,0,0|3,0,0]=4 1777 B9R1.73 CCCN(C)C1CCC1 270004a_100000747261_100000241760 [0,0,0,1,0,0|3,0,0]=4 1778 B9R1.73 CCCN(C)C1CCC1 34a_100000758072_100000210303 [0,0,0,1,0,0|3,0,0]=4 1779 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,0,0,1,0,0|1,0,0]=2 1780 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,0,0,1,0,0|1,0,0]=2 1781 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,0,0,1,0,0|1,0,0]=2 1782 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,0,0,1,0,0|2,0,0]=3 1783 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,0,0,1,0,0|2,0,0]=3 1784 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,0,0,1,0,0|2,0,0]=3 1785 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,0,0,1,0,0|2,0,0]=3 1786 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,0,0,1,0,0|2,0,0]=3 1787 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,0,0,1,0,0|2,0,0]=3 1788 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,0,0,1,0,0|2,0,0]=3 1789 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,0,0,1,0,0|2,0,0]=3 1790 B9R1.73 CCNC(C)C1CCC1 2230a_100016994624_100000210202 [0,0,0,1,0,0|2,0,1]=4 1791 B9R1.73 CCNC(C)C1CCC1 269862a_100015525214_100000760154 [0,0,0,1,0,0|2,0,1]=4 1792 B9R1.73 CCNC(C)C1CCC1 34a_100016994624_100000210202 [0,0,0,1,0,0|2,0,1]=4 1793 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [0,0,0,1,0,0|1,0,1]=3 1794 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [0,0,0,1,0,0|1,0,1]=3 1795 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,0,0,1,0,0|2,0,0]=3 1796 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,0,0,1,0,0|2,0,0]=3 1797 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,0,0,1,0,0|2,0,0]=3 1798 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [0,0,0,1,0,0|3,0,0]=4 1799 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [0,0,0,1,0,0|3,0,0]=4 1800 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [0,0,0,1,0,0|3,0,0]=4 1801 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [0,0,0,1,0,0|2,0,0]=3 1802 B9R1.73 CNNC(=O)C1CCO1 22a_100016993582_100000089072 [0,0,0,1,0,0|3,0,0]=4 1803 B9R1.73 CNNC(=O)C1COC1 22a_100016993582_100000758290 [0,0,0,1,0,0|3,0,0]=4 1804 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,0,0,1,0,0|2,0,0]=3 1805 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,0,0,1,0,0|2,0,0]=3 1806 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,0,0,1,0,0|3,0,0]=4 1807 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [0,0,0,1,0,0|3,0,0]=4 1808 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [0,0,0,1,0,0|3,0,0]=4 1809 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [0,0,0,1,0,0|3,0,0]=4 1810 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [0,0,0,1,0,0|3,0,0]=4 1811 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,0,0,1,0,0|2,0,0]=3 1812 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,0,0,1,0,0|2,0,0]=3 1813 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,0,0,1,0,0|2,0,0]=3 1814 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,0,0,1,0,0|3,0,0]=4 1815 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [0,0,0,1,0,0|3,0,0]=4 1816 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [0,0,0,1,0,0|3,0,0]=4 1817 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [0,0,0,1,0,0|3,0,0]=4 1818 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [0,0,0,1,0,0|3,0,0]=4 1819 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [0,0,0,1,0,0|3,0,0]=4 1820 B9R1.73 N#CCC(=O)C1CCC1 1458a_100000209988_100011214920 [0,0,0,1,0,0|2,0,1]=4 1821 B9R1.73 N#CCC(=O)C1CCC1 1458a_100051588842_100000749161 [0,0,0,1,0,0|2,0,1]=4 1822 B9R1.73 O=C(C=CBr)C1CCC1 1458a_100016273825_100000749161 [0,0,0,1,0,0|2,0,1]=4 1823 B9R1.73 O=C(C=CCl)C1CCC1 1458a_200016279998_100000749161 [0,0,0,1,0,0|2,0,1]=4 1824 B9R1.73 O=C(C=CI)C1CCC1 1458a_100016256311_100000749161 [0,0,0,1,0,0|2,0,1]=4 1825 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [0,0,0,1,0,0|2,0,0]=3 1826 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,0,0,1,0,0|3,0,0]=4 1827 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [0,0,0,1,0,0|3,0,0]=4 1828 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,0,0,1,0,0|2,0,0]=3 1829 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,0,0,1,0,0|2,0,0]=3 1830 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,0,0,1,0,0|3,0,0]=4 1831 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [0,0,0,1,0,0|3,0,0]=4 1832 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [0,0,0,1,0,0|3,0,0]=4 1833 B9R1.73 O=C(CCO)N1CCC1 240690a_100000754969_100011216618 [0,0,0,1,0,0|3,0,0]=4 1834 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,0,0,1,0,0|2,0,0]=3 1835 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,0,0,1,0,0|2,0,0]=3 1836 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [0,0,0,1,0,0|3,0,0]=4 1837 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [0,0,0,1,0,0|3,0,0]=4 1838 B9R1.74 C#CCC(=O)C1(CC1)C 1458a_100000756474_100000184674 [0,0,0,1,0,0|1,0,2]=4 1839 B9R1.74 C=CCC(=O)C1(CC1)C 1458a_100000756474_100000210623 [0,0,0,1,0,0|1,0,2]=4 1840 B9R1.74 CC1(CC1)C(=O)CC#N 1458a_100000756474_100011214920 [0,0,0,1,0,0|2,0,1]=4 1841 B9R1.74 CC1(CC1)C(=O)CCF 1458a_100000756474_100011217306 [0,0,0,1,0,0|2,0,0]=3 1842 B9R1.74 CC1(CC1)C(=O)CCO 1458a_100000756474_100000211926 [0,0,0,1,0,0|2,0,0]=3 1843 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [0,0,0,1,0,0|1,0,0]=2 1844 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [0,0,0,1,0,0|2,0,0]=3 1845 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [0,0,0,1,0,0|2,0,0]=3 1846 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [0,0,0,1,0,0|1,0,0]=2 1847 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [0,0,0,1,0,0|1,0,0]=2 1848 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [0,0,0,1,0,0|1,0,0]=2 1849 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [0,0,0,1,0,0|2,0,0]=3 1850 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [0,0,0,1,0,0|2,0,0]=3 1851 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [0,0,0,1,0,0|2,0,0]=3 1852 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [0,0,0,1,0,0|2,0,0]=3 1853 B9R1.74 CCNC(C)C1(CC1)C 269862a_100015525214_100000184723 [0,0,0,1,0,0|2,0,1]=4 1854 B9R1.74 CNNC(=O)C1(CC1)C 22a_100016993582_100000756474 [0,0,0,1,0,0|2,0,0]=3 1855 B9R1.74 CNNC(=O)C1(CC1)F 22a_100016993582_100000055089 [0,0,0,1,0,0|3,0,0]=4 1856 B9R1.74 CNNC(=O)C1(CC1)O 22a_100016993582_100000241761 [0,0,0,1,0,0|3,0,0]=4 1857 B9R1.74 O=C(CCF)C1(CC1)F 1458a_100000055089_100011217306 [0,0,0,1,0,0|3,0,0]=4 1858 B9R1.74 O=C(CCF)C1(CC1)O 1458a_100000241761_100011217306 [0,0,0,1,0,0|3,0,0]=4 1859 B9R1.74 O=C(CCO)C1(CC1)F 1458a_100000055089_100000211926 [0,0,0,1,0,0|3,0,0]=4 1860 B9R1.74 O=C(CCO)C1(CC1)O 1458a_100000241761_100000211926 [0,0,0,1,0,0|3,0,0]=4 1861 B9R1.82 CCC(C)N1CC(C1)C 2230a_100000702820_100000758301 [0,0,0,1,0,0|3,0,0]=4 1862 B9R1.82 CCC(C)N1CC(C1)C 269982a_100000702820_100000758301 [0,0,0,1,0,0|3,0,0]=4 1863 B9R1.82 CCC(C)N1CC(C1)C 34a_100000702820_100011215416 [0,0,0,1,0,0|3,0,0]=4 1864 B9R1.101 C#CC(C)C(=O)C1CC1 1458a_100000210395_200000035995 [0,0,0,1,0,0|1,0,2]=4 1865 B9R1.101 CC(C#N)C(=O)C1CC1 1458a_100000210395_100000703298 [0,0,0,1,0,0|2,0,1]=4 1866 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [0,0,0,1,0,0|1,0,0]=2 1867 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,0,0,1,0,0|2,0,0]=3 1868 B9R1.101 CCC(C)N(C)C1CC1 2230a_100000226674_100000758301 [0,0,0,1,0,0|3,0,0]=4 1869 B9R1.101 CCC(C)N(C)C1CC1 269982a_100000226674_100000758301 [0,0,0,1,0,0|3,0,0]=4 1870 B9R1.101 CCC(C)N(C)C1CC1 269982a_100000741768_100000211595 [0,0,0,1,0,0|3,0,0]=4 1871 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [0,0,0,1,0,0|2,0,0]=3 1872 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [0,0,0,1,0,0|2,0,0]=3 1873 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [0,0,0,1,0,0|2,0,0]=3 1874 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [0,0,0,1,0,0|2,0,0]=3 1875 B9R1.101 CCN(C)C(=O)C1CO1 11a_100000225621_100000701028 [0,0,0,1,0,0|3,0,0]=4 1876 B9R1.101 CCN(C)C(=O)C1CO1 1626a_100000225621_100000701028 [0,0,0,1,0,0|3,0,0]=4 1877 B9R1.101 CCN(C)C(=O)C1CO1 240690a_100000225621_100000701028 [0,0,0,1,0,0|3,0,0]=4 1878 B9R1.101 CCN(C)C(=O)C1CO1 527a_100000225621_100000701028 [0,0,0,1,0,0|3,0,0]=4 1879 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_100000755940_200025704644 [0,0,0,1,0,0|3,0,0]=4 1880 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_200025704644_100000755940 [0,0,0,1,0,0|3,0,0]=4 1881 B9R1.132 CNC1CCN(C1=O)C 2230a_106832991635_100000755940 [0,0,0,1,0,0|3,0,0]=4 1882 B9R1.132 CNC1CCN(C1=O)C 34a_100102657272_100000755940 [0,0,0,1,0,0|3,0,0]=4 1883 B9R1.132 CNC1CCN(C1=O)C 7a_106832991635_100000755940 [0,0,0,1,0,0|3,0,0]=4 1884 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [0,0,0,1,0,0|3,0,0]=4 1885 B9R1.132 CSC1CCN(C1=O)C 62a_100000755940_200000210301 [0,0,0,1,0,0|3,0,0]=4 1886 B9R1.132 CSC1CCN(C1=O)C 62a_200000210301_100000755940 [0,0,0,1,0,0|3,0,0]=4 1887 B9R1.183 C#CCC(=O)C1CC1C 1458a_100000211227_100000184674 [0,0,0,1,0,0|1,0,2]=4 1888 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [0,0,0,1,0,0|1,0,2]=4 1889 B9R1.183 CC1CC1C(=O)CC#N 1458a_100000211227_100011214920 [0,0,0,1,0,0|2,0,1]=4 1890 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [0,0,0,1,0,0|2,0,0]=3 1891 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,0,0,1,0,0|2,0,0]=3 1892 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,0,1,0,0|1,0,0]=2 1893 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,0,0,1,0,0|2,0,0]=3 1894 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,0,0,1,0,0|1,0,0]=2 1895 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,0,0,1,0,0|1,0,0]=2 1896 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,0,0,1,0,0|2,0,0]=3 1897 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,0,0,1,0,0|2,0,0]=3 1898 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,0,0,1,0,0|2,0,0]=3 1899 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [0,0,0,1,0,0|2,0,0]=3 1900 B9R1.183 CNNC(=O)[C@@H]1C[C@@H]1F 22a_100016993582_100015396687 [0,0,0,1,0,0|3,0,0]=4 1901 B9R1.183 O=C(CCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011217306 [0,0,0,1,0,0|3,0,0]=4 1902 B9R1.183 O=C(CCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211926 [0,0,0,1,0,0|3,0,0]=4 1903 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [0,0,0,0,0,1|1,0,2]=4 1904 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [0,0,0,0,0,1|1,0,2]=4 1905 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [0,0,0,0,0,1|1,0,2]=4 1906 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [0,0,0,0,0,1|1,0,2]=4 1907 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100000707721_100015525214 [0,0,0,0,0,1|1,0,2]=4 1908 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100015525214_100000707721 [0,0,0,0,0,1|1,0,2]=4 1909 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100000707721_100015525214 [0,0,0,0,0,1|1,0,2]=4 1910 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100015525214_100000707721 [0,0,0,0,0,1|1,0,2]=4 1911 B9R0.34 C#CC(C)NC(=O)NCC 512a_100000707721_100015525214 [0,0,0,0,0,1|1,0,2]=4 1912 B9R0.34 C#CC(C)NC(=O)NCC 512a_100015525214_100000707721 [0,0,0,0,0,1|1,0,2]=4 1913 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [0,0,0,0,0,1|1,0,2]=4 1914 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [0,0,0,0,0,1|1,0,2]=4 1915 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [0,0,0,0,0,1|1,0,2]=4 1916 B9R0.34 C#CCC(=O)NC(C)CC 1626a_100000209981_100011220946 [0,0,0,0,0,1|1,0,2]=4 1917 B9R0.34 C#CCC(=O)NC(C)CC 527a_100000209981_100011220946 [0,0,0,0,0,1|1,0,2]=4 1918 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,0,0,0,0,1|1,0,2]=4 1919 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,0,0,0,0,1|1,0,2]=4 1920 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,0,0,0,0,1|1,0,2]=4 1921 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,0,0,0,0,1|1,0,2]=4 1922 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,0,0,0,0,1|1,0,2]=4 1923 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,0,0,0,0,1|1,0,2]=4 1924 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,0,0,0,0,1|1,0,2]=4 1925 B9R0.34 C=CCC(=O)NC(C)CC 11a_100000209981_100000210193 [0,0,0,0,0,1|1,0,2]=4 1926 B9R0.34 C=CCC(=O)NC(C)CC 1626a_100000209981_100000210193 [0,0,0,0,0,1|1,0,2]=4 1927 B9R0.34 C=CCC(=O)NC(C)CC 240690a_100000209981_100000210193 [0,0,0,0,0,1|1,0,2]=4 1928 B9R0.34 C=CCC(=O)NC(C)CC 527a_100000209981_100000210193 [0,0,0,0,0,1|1,0,2]=4 1929 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,0,0,0,0,1|1,0,2]=4 1930 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,0,0,0,0,1|1,0,2]=4 1931 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [0,0,0,0,0,1|1,0,1]=3 1932 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,0,0,0,0,1|2,0,1]=4 1933 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [0,0,0,0,0,1|1,0,1]=3 1934 B9R0.34 CC#CC(=O)C[C@@H](C)CO 1458a_100000763181_100000059175 [0,0,0,0,0,1|2,0,1]=4 1935 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,0,0,0,0,1|1,0,1]=3 1936 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,0,0,0,0,1|2,0,1]=4 1937 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,0,0,0,0,1|1,0,1]=3 1938 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [0,0,0,0,0,1|2,0,1]=4 1939 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [0,0,0,0,0,1|1,0,1]=3 1940 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [0,0,0,0,0,1|1,0,1]=3 1941 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [0,0,0,0,0,1|1,0,1]=3 1942 B9R0.34 CC=CC(=O)N[C@H](C)CF 11a_100102880703_100000210699 [0,0,0,0,0,1|2,0,1]=4 1943 B9R0.34 CC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000210699 [0,0,0,0,0,1|2,0,1]=4 1944 B9R0.34 CC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000210699 [0,0,0,0,0,1|2,0,1]=4 1945 B9R0.34 CC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000210699 [0,0,0,0,0,1|2,0,1]=4 1946 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,0,0,0,0,1|2,0,1]=4 1947 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,0,0,0,0,1|2,0,1]=4 1948 B9R0.34 CCC(=CC(=O)NNC)C 22a_100016993582_100020758463 [0,0,0,0,0,1|2,0,1]=4 1949 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,0,0,0,0,1|2,0,1]=4 1950 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,0,0,0,0,1|2,0,1]=4 1951 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,0,0,0,0,1|2,0,1]=4 1952 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [0,0,0,0,0,1|2,0,1]=4 1953 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [0,0,0,0,0,1|2,0,1]=4 1954 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,0,0,0,0,1|2,0,0]=3 1955 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,0,0,0,0,1|2,0,0]=3 1956 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,0,0,0,0,1|2,0,0]=3 1957 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,0,0,0,0,1|2,0,0]=3 1958 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,0,0,0,0,1|2,0,0]=3 1959 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [0,0,0,0,0,1|2,0,0]=3 1960 B9R0.34 CCC(C)NC(=O)C=CBr 1626a_100000209981_100016273825 [0,0,0,0,0,1|2,0,1]=4 1961 B9R0.34 CCC(C)NC(=O)C=CBr 240690a_100000209981_100016273825 [0,0,0,0,0,1|2,0,1]=4 1962 B9R0.34 CCC(C)NC(=O)C=CCl 11a_100000209981_200016279998 [0,0,0,0,0,1|2,0,1]=4 1963 B9R0.34 CCC(C)NC(=O)C=CCl 1626a_100000209981_200016279998 [0,0,0,0,0,1|2,0,1]=4 1964 B9R0.34 CCC(C)NC(=O)C=CCl 240690a_100000209981_200016279998 [0,0,0,0,0,1|2,0,1]=4 1965 B9R0.34 CCC(C)NC(=O)C=CI 1626a_100000209981_100016256311 [0,0,0,0,0,1|2,0,1]=4 1966 B9R0.34 CCC(C)NC(=O)CC#N 1626a_100000209981_100051588842 [0,0,0,0,0,1|2,0,1]=4 1967 B9R0.34 CCC(C)NC(=O)CC#N 240690a_100000209981_100051588842 [0,0,0,0,0,1|2,0,1]=4 1968 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [0,0,0,0,0,1|2,0,0]=3 1969 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,0,0,0,0,1|2,0,0]=3 1970 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,0,0,0,0,1|2,0,0]=3 1971 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,0,0,0,0,1|2,0,0]=3 1972 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,0,0,0,0,1|2,0,0]=3 1973 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,0,0,0,0,1|2,0,0]=3 1974 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,0,0,0,0,1|2,0,0]=3 1975 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,0,0,0,0,1|2,0,0]=3 1976 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,0,0,0,0,1|2,0,0]=3 1977 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [0,0,0,0,0,1|2,0,0]=3 1978 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [0,0,0,0,0,1|2,0,0]=3 1979 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [0,0,0,0,0,1|2,0,0]=3 1980 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [0,0,0,0,0,1|2,0,0]=3 1981 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [0,0,0,0,0,1|2,0,0]=3 1982 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [0,0,0,0,0,1|2,0,0]=3 1983 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [0,0,0,0,0,1|2,0,0]=3 1984 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [0,0,0,0,0,1|2,0,0]=3 1985 B9R0.34 CCC(C)NC(=O)NNC 273464a_100000209981_100016993582 [0,0,0,0,0,1|2,0,0]=3 1986 B9R0.34 CCC(C)NC(=O)NNC 512a_100000209981_100016993582 [0,0,0,0,0,1|2,0,0]=3 1987 B9R0.34 CCC(C)NC(=O)NNC 512a_100016993582_100000209981 [0,0,0,0,0,1|2,0,0]=3 1988 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,0,0,0,0,1|3,0,0]=4 1989 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,0,0,0,0,1|3,0,0]=4 1990 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,0,0,0,0,1|3,0,0]=4 1991 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,0,0,0,0,1|3,0,0]=4 1992 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,0,0,0,0,1|3,0,0]=4 1993 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,0,0,0,0,1|3,0,0]=4 1994 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,0,0,0,0,1|1,0,1]=3 1995 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,0,0,0,0,1|2,0,1]=4 1996 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,0,0,0,0,1|2,0,1]=4 1997 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,0,0,0,0,1|1,0,0]=2 1998 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,0,0,0,0,1|1,0,0]=2 1999 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,0,0,0,0,1|2,0,0]=3 2000 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,0,0,0,0,1|2,0,0]=3 2001 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,0,0,0,0,1|2,0,0]=3 2002 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,0,0,0,0,1|2,0,0]=3 2003 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,0,0,0,0,1|2,0,0]=3 2004 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,0,0,0,0,1|1,0,0]=2 2005 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,0,0,0,0,1|2,0,0]=3 2006 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [0,0,0,0,0,1|2,0,1]=4 2007 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [0,0,0,0,0,1|2,0,1]=4 2008 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [0,0,0,0,0,1|2,0,1]=4 2009 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,0,0,0,0,1|1,0,0]=2 2010 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,0,0,0,0,1|1,0,0]=2 2011 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,0,0,0,0,1|1,0,0]=2 2012 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,0,0,0,0,1|1,0,0]=2 2013 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,0,0,0,0,1|2,0,0]=3 2014 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,0,0,0,0,1|2,0,0]=3 2015 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,0,0,0,0,1|2,0,0]=3 2016 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,0,0,0,0,1|2,0,0]=3 2017 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,0,0,0,0,1|2,0,0]=3 2018 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,0,0,0,0,1|2,0,0]=3 2019 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,0,0,0,0,1|2,0,1]=4 2020 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,0,0,0,0,1|2,0,1]=4 2021 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,0,0,0,0,1|2,0,1]=4 2022 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,0,0,0,0,1|2,0,1]=4 2023 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,0,0,0,0,1|2,0,1]=4 2024 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,0,0,0,0,1|2,0,1]=4 2025 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,0,0,0,0,1|2,0,1]=4 2026 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,0,0,0,0,1|2,0,1]=4 2027 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [0,0,0,0,0,1|3,0,0]=4 2028 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [0,0,0,0,0,1|3,0,0]=4 2029 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [0,0,0,0,0,1|3,0,0]=4 2030 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [0,0,0,0,0,1|3,0,0]=4 2031 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [0,0,0,0,0,1|3,0,0]=4 2032 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [0,0,0,0,0,1|3,0,0]=4 2033 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [0,0,0,0,0,1|3,0,0]=4 2034 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [0,0,0,0,0,1|3,0,0]=4 2035 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [0,0,0,0,0,1|3,0,0]=4 2036 B9R0.34 CCN(C)CC(=O)NCO 2230a_100000225621_100000185155 [0,0,0,0,0,1|3,0,0]=4 2037 B9R0.34 CCN(C)CC(=O)NCO 269982a_100000225621_100000185155 [0,0,0,0,0,1|3,0,0]=4 2038 B9R0.34 CCN(C)CC(=O)NNC 22a_100016993582_100116209913 [0,0,0,0,0,1|3,0,0]=4 2039 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,0,0,0,0,1|1,0,1]=3 2040 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,0,0,0,0,1|1,0,1]=3 2041 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,0,0,0,0,1|2,0,1]=4 2042 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,0,0,0,0,1|1,0,0]=2 2043 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,0,0,0,0,1|1,0,0]=2 2044 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,0,0,0,0,1|1,0,0]=2 2045 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,0,0,0,0,1|2,0,0]=3 2046 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,0,0,0,0,1|2,0,0]=3 2047 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,0,0,0,0,1|2,0,0]=3 2048 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,0,0,0,0,1|2,0,0]=3 2049 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,0,0,0,0,1|2,0,0]=3 2050 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,0,0,0,0,1|2,0,0]=3 2051 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,0,0,0,0,1|2,0,0]=3 2052 B9R0.34 CCNC(=O)CN(C)CF 269982a_100000741943_100015361967 [0,0,0,0,0,1|3,0,0]=4 2053 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100000737613_100015525214 [0,0,0,0,0,1|2,0,1]=4 2054 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100015525214_100000737613 [0,0,0,0,0,1|2,0,1]=4 2055 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100000737613_100015525214 [0,0,0,0,0,1|2,0,1]=4 2056 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100015525214_100000737613 [0,0,0,0,0,1|2,0,1]=4 2057 B9R0.34 CCNC(=O)NC(C)C#N 512a_100000737613_100015525214 [0,0,0,0,0,1|2,0,1]=4 2058 B9R0.34 CCNC(=O)NC(C)C#N 512a_100015525214_100000737613 [0,0,0,0,0,1|2,0,1]=4 2059 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,0,0,0,0,1|1,0,0]=2 2060 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,0,0,0,0,1|1,0,0]=2 2061 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,0,0,0,0,1|1,0,0]=2 2062 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,0,0,0,0,1|1,0,0]=2 2063 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,0,0,0,0,1|1,0,0]=2 2064 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,0,0,0,0,1|1,0,0]=2 2065 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [0,0,0,0,0,1|2,0,0]=3 2066 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [0,0,0,0,0,1|2,0,0]=3 2067 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [0,0,0,0,0,1|2,0,0]=3 2068 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [0,0,0,0,0,1|2,0,0]=3 2069 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [0,0,0,0,0,1|2,0,0]=3 2070 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,0,0,0,0,1|2,0,0]=3 2071 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,0,0,0,0,1|2,0,0]=3 2072 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,0,0,0,0,1|2,0,0]=3 2073 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,0,0,0,0,1|2,0,0]=3 2074 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,0,0,0,0,1|2,0,1]=4 2075 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,0,0,0,0,1|2,0,1]=4 2076 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,0,0,0,0,1|1,0,1]=3 2077 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,0,0,0,0,1|1,0,1]=3 2078 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,0,0,0,0,1|2,0,1]=4 2079 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,0,0,0,0,1|2,0,1]=4 2080 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,0,0,0,0,1|2,0,1]=4 2081 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,0,0,0,0,1|1,0,0]=2 2082 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,0,0,0,0,1|1,0,0]=2 2083 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,0,0,0,0,1|1,0,0]=2 2084 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,0,0,0,0,1|1,0,0]=2 2085 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,0,0,0,0,1|1,0,0]=2 2086 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,0,0,0,0,1|1,0,0]=2 2087 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,0,0,0,0,1|1,0,0]=2 2088 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,0,0,0,0,1|1,0,0]=2 2089 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,0,0,0,0,1|1,0,0]=2 2090 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,0,0,0,0,1|1,0,0]=2 2091 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,0,0,0,0,1|1,0,0]=2 2092 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,0,0,0,0,1|1,0,0]=2 2093 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,0,0,0,0,1|1,0,0]=2 2094 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,0,0,0,0,1|1,0,0]=2 2095 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,0,0,0,0,1|1,0,0]=2 2096 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,0,0,0,0,1|1,0,0]=2 2097 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,0,0,0,0,1|1,0,0]=2 2098 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,0,0,0,0,1|1,0,0]=2 2099 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,0,0,0,0,1|1,0,0]=2 2100 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,0,0,0,0,1|2,0,1]=4 2101 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,0,0,0,0,1|2,0,1]=4 2102 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,0,0,0,0,1|2,0,1]=4 2103 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [0,0,0,0,0,1|2,0,1]=4 2104 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,0,0,0,0,1|2,0,0]=3 2105 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,0,0,0,0,1|2,0,0]=3 2106 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,0,0,0,0,1|2,0,0]=3 2107 B9R0.34 CNNC(=O)N[C@H](C)CF 273464a_100102880703_100016993582 [0,0,0,0,0,1|3,0,0]=4 2108 B9R0.34 CNNC(=O)N[C@H](C)CF 512a_100016993582_100102880703 [0,0,0,0,0,1|3,0,0]=4 2109 B9R0.34 CNNC(=O)N[C@H](C)CF 512a_100102880703_100016993582 [0,0,0,0,0,1|3,0,0]=4 2110 B9R0.34 CNNC(=O)N[C@H](C)CO 273464a_100000737577_100016993582 [0,0,0,0,0,1|3,0,0]=4 2111 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100000737577_100016993582 [0,0,0,0,0,1|3,0,0]=4 2112 B9R0.34 CNNC(=O)N[C@H](C)CO 512a_100016993582_100000737577 [0,0,0,0,0,1|3,0,0]=4 2113 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,0,0,0,0,1|3,0,0]=4 2114 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [0,0,0,0,0,1|3,0,0]=4 2115 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [0,0,0,0,0,1|3,0,0]=4 2116 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [0,0,0,0,0,1|3,0,0]=4 2117 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [0,0,0,0,0,1|3,0,0]=4 2118 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,0,0,0,0,1|3,0,0]=4 2119 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,0,0,0,0,1|3,0,0]=4 2120 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,0,0,0,0,1|3,0,0]=4 2121 B9R0.34 CSCC(=O)N[C@H](C)CF 11a_100102880703_100000184570 [0,0,0,0,0,1|3,0,0]=4 2122 B9R0.34 CSCC(=O)N[C@H](C)CF 1626a_100102880703_100000184570 [0,0,0,0,0,1|3,0,0]=4 2123 B9R0.34 CSCC(=O)N[C@H](C)CF 240690a_100102880703_100000184570 [0,0,0,0,0,1|3,0,0]=4 2124 B9R0.34 CSCC(=O)N[C@H](C)CF 527a_100102880703_100000184570 [0,0,0,0,0,1|3,0,0]=4 2125 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,0,0,0,0,1|3,0,0]=4 2126 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,0,0,0,0,1|3,0,0]=4 2127 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,0,0,0,0,1|3,0,0]=4 2128 B9R0.34 C[C@H](CF)NC(=O)CCO 240690a_100102880703_100011216618 [0,0,0,0,0,1|3,0,0]=4 2129 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,0,0,0,0,1|3,0,0]=4 2130 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 2131 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [2,0,0,0,0,0|0,0,2]=4 2132 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|0,0,2]=4 2133 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|0,0,2]=4 2134 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [2,0,0,0,0,0|0,0,2]=4 2135 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [2,0,0,0,0,0|0,0,2]=4 2136 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [2,0,0,0,0,0|1,0,1]=4 2137 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [2,0,0,0,0,0|1,0,1]=4 2138 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,2]=4 2139 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [2,0,0,0,0,0|0,0,2]=4 2140 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,2]=4 2141 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,2]=4 2142 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 2143 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [2,0,0,0,0,0|2,0,0]=4 2144 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [2,0,0,0,0,0|2,0,0]=4 2145 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [2,0,0,0,0,0|1,0,1]=4 2146 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [2,0,0,0,0,0|2,0,0]=4 2147 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,2]=4 2148 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 2149 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 2150 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,0]=3 2151 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,0]=3 2152 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,0]=3 2153 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,0]=3 2154 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,0]=3 2155 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,0]=3 2156 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,0]=3 2157 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,0]=3 2158 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,0]=3 2159 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,0]=3 2160 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,0]=3 2161 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,0]=3 2162 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 2163 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [2,0,0,0,0,0|1,0,1]=4 2164 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [2,0,0,0,0,0|1,0,1]=4 2165 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [2,0,0,0,0,0|1,0,1]=4 2166 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [2,0,0,0,0,0|1,0,1]=4 2167 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [2,0,0,0,0,0|1,0,1]=4 2168 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [2,0,0,0,0,0|1,0,1]=4 2169 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [2,0,0,0,0,0|0,0,1]=3 2170 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [2,0,0,0,0,0|0,1,1]=4 2171 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [2,0,0,0,0,0|0,1,1]=4 2172 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [2,0,0,0,0,0|0,1,1]=4 2173 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [2,0,0,0,0,0|0,1,1]=4 2174 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [2,0,0,0,0,0|1,0,0]=3 2175 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [2,0,0,0,0,0|1,1,0]=4 2176 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [2,0,0,0,0,0|1,1,0]=4 2177 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [2,0,0,0,0,0|1,0,1]=4 2178 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,0]=2 2179 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,0]=2 2180 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,0]=3 2181 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,0]=3 2182 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 2183 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2184 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2185 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2186 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [2,0,0,0,0,0|1,0,1]=4 2187 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [2,0,0,0,0,0|1,0,1]=4 2188 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [2,0,0,0,0,0|1,0,1]=4 2189 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [2,0,0,0,0,0|1,0,1]=4 2190 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [2,0,0,0,0,0|1,0,1]=4 2191 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [2,0,0,0,0,0|1,0,1]=4 2192 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 2193 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|1,0,1]=4 2194 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 2195 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 2196 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 2197 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [2,0,0,0,0,0|1,0,1]=4 2198 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [2,0,0,0,0,0|1,0,1]=4 2199 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [2,0,0,0,0,0|1,0,1]=4 2200 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [2,0,0,0,0,0|1,0,1]=4 2201 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [2,0,0,0,0,0|1,0,1]=4 2202 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [2,0,0,0,0,0|1,0,1]=4 2203 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [2,0,0,0,0,0|1,0,1]=4 2204 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [2,0,0,0,0,0|1,0,1]=4 2205 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [2,0,0,0,0,0|1,0,1]=4 2206 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [2,0,0,0,0,0|1,0,1]=4 2207 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [2,0,0,0,0,0|1,0,1]=4 2208 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [2,0,0,0,0,0|1,0,1]=4 2209 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [2,0,0,0,0,0|1,0,1]=4 2210 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [2,0,0,0,0,0|1,0,1]=4 2211 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2212 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2213 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 2214 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 2215 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 2216 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 2217 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 2218 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 2219 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 2220 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 2221 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 2222 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [2,0,0,0,0,0|1,0,0]=3 2223 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [2,0,0,0,0,0|1,0,0]=3 2224 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [2,0,0,0,0,0|2,0,0]=4 2225 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [2,0,0,0,0,0|2,0,0]=4 2226 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [2,0,0,0,0,0|1,0,1]=4 2227 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [2,0,0,0,0,0|0,0,0]=2 2228 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [2,0,0,0,0,0|0,0,0]=2 2229 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [2,0,0,0,0,0|1,0,0]=3 2230 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [2,0,0,0,0,0|1,0,0]=3 2231 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [2,0,0,0,0,0|1,0,0]=3 2232 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [2,0,0,0,0,0|1,0,0]=3 2233 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [2,0,0,0,0,0|0,1,0]=3 2234 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [2,0,0,0,0,0|0,1,0]=3 2235 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [2,0,0,0,0,0|1,1,0]=4 2236 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [2,0,0,0,0,0|1,1,0]=4 2237 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [2,0,0,0,0,0|1,1,0]=4 2238 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [2,0,0,0,0,0|1,1,0]=4 2239 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [2,0,0,0,0,0|1,1,0]=4 2240 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [2,0,0,0,0,0|1,0,1]=4 2241 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [2,0,0,0,0,0|1,0,1]=4 2242 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [2,0,0,0,0,0|1,0,1]=4 2243 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [2,0,0,0,0,0|0,0,1]=3 2244 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [2,0,0,0,0,0|0,0,1]=3 2245 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [2,0,0,0,0,0|0,0,1]=3 2246 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [2,0,0,0,0,0|0,1,1]=4 2247 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [2,0,0,0,0,0|0,1,1]=4 2248 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [2,0,0,0,0,0|0,1,1]=4 2249 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [2,0,0,0,0,0|0,1,1]=4 2250 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 2251 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 2252 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 2253 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 2254 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 2255 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2256 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 2257 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 2258 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2259 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 2260 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 2261 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 2262 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 2263 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 2264 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 2265 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 2266 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 2267 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [2,0,0,0,0,0|1,0,1]=4 2268 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [2,0,0,0,0,0|1,0,1]=4 2269 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [2,0,0,0,0,0|1,0,1]=4 2270 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [2,0,0,0,0,0|1,0,1]=4 2271 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 2272 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 2273 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 2274 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 2275 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 2276 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,0]=3 2277 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 2278 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [2,0,0,0,0,0|1,0,1]=4 2279 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|1,0,0]=3 2280 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|1,0,0]=3 2281 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|1,0,0]=3 2282 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|1,0,0]=3 2283 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [2,0,0,0,0,0|1,0,1]=4 2284 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [2,0,0,0,0,0|2,0,0]=4 2285 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|1,0,0]=3 2286 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [2,0,0,0,0,0|1,0,1]=4 2287 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [2,0,0,0,0,0|1,0,1]=4 2288 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [2,0,0,0,0,0|1,0,1]=4 2289 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [2,0,0,0,0,0|1,0,1]=4 2290 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [2,0,0,0,0,0|1,0,1]=4 2291 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [2,0,0,0,0,0|1,0,1]=4 2292 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [2,0,0,0,0,0|1,0,1]=4 2293 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [2,0,0,0,0,0|1,0,1]=4 2294 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [2,0,0,0,0,0|1,0,1]=4 2295 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [2,0,0,0,0,0|1,0,1]=4 2296 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [2,0,0,0,0,0|1,0,1]=4 2297 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|2,0,0]=4 2298 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|2,0,0]=4 2299 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|2,0,0]=4 2300 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|2,0,0]=4 2301 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [2,0,0,0,0,0|1,0,1]=4 2302 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [2,0,0,0,0,0|2,0,0]=4 2303 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [2,0,0,0,0,0|2,0,0]=4 2304 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|2,0,0]=4 2305 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|2,0,0]=4 2306 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [2,0,0,0,0,0|2,0,0]=4 2307 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [2,0,0,0,0,0|2,0,0]=4 2308 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 2309 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|1,0,1]=4 2310 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|1,0,1]=4 2311 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 2312 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [2,0,0,0,0,0|1,0,1]=4 2313 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|0,0,1]=3 2314 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|0,0,1]=3 2315 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [2,0,0,0,0,0|1,0,1]=4 2316 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|1,0,1]=4 2317 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [2,0,0,0,0,0|1,0,1]=4 2318 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [2,0,0,0,0,0|1,0,1]=4 2319 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [2,0,0,0,0,0|1,0,1]=4 2320 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|1,0,1]=4 2321 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|0,1,1]=4 2322 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|0,1,1]=4 2323 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|2,0,0]=4 2324 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|2,0,0]=4 2325 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|2,0,0]=4 2326 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|2,0,0]=4 2327 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|2,0,0]=4 2328 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|2,0,0]=4 2329 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|2,0,0]=4 2330 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|2,0,0]=4 2331 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|2,0,0]=4 2332 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|2,0,0]=4 2333 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 2334 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 2335 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 2336 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 2337 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|0,0,1]=3 2338 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 2339 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 2340 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 2341 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|0,1,1]=4 2342 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|0,1,1]=4 2343 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|2,0,0]=4 2344 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|2,0,0]=4 2345 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|1,0,1]=4 2346 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|1,0,1]=4 2347 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|1,0,1]=4 2348 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|1,0,1]=4 2349 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|1,0,1]=4 2350 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 2351 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 2352 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 2353 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|1,0,1]=4 2354 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 2355 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 2356 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 2357 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 2358 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 2359 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|1,0,1]=4 2360 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|1,0,1]=4 2361 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|1,0,1]=4 2362 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 2363 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 2364 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 2365 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 2366 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|1,0,1]=4 2367 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|1,0,1]=4 2368 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|1,0,1]=4 2369 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 2370 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|1,0,1]=4 2371 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|1,0,1]=4 2372 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|1,0,1]=4 2373 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|1,0,1]=4 2374 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [2,0,0,0,0,0|0,0,2]=4 2375 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [2,0,0,0,0,0|0,0,2]=4 2376 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [2,0,0,0,0,0|0,0,2]=4 2377 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [2,0,0,0,0,0|0,0,2]=4 2378 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [2,0,0,0,0,0|0,0,2]=4 2379 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [2,0,0,0,0,0|2,0,0]=4 2380 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [2,0,0,0,0,0|0,0,2]=4 2381 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [2,0,0,0,0,0|0,0,2]=4 2382 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [2,0,0,0,0,0|0,0,2]=4 2383 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [2,0,0,0,0,0|1,0,1]=4 2384 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [2,0,0,0,0,0|1,0,1]=4 2385 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [2,0,0,0,0,0|1,0,0]=3 2386 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [2,0,0,0,0,0|1,0,0]=3 2387 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [2,0,0,0,0,0|1,0,0]=3 2388 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [2,0,0,0,0,0|2,0,0]=4 2389 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [2,0,0,0,0,0|1,0,1]=4 2390 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [2,0,0,0,0,0|1,0,0]=3 2391 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [2,0,0,0,0,0|1,0,0]=3 2392 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [2,0,0,0,0,0|1,0,1]=4 2393 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [2,0,0,0,0,0|2,0,0]=4 2394 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [2,0,0,0,0,0|2,0,0]=4 2395 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [2,0,0,0,0,0|2,0,0]=4 2396 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [2,0,0,0,0,0|0,0,0]=2 2397 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [2,0,0,0,0,0|0,0,0]=2 2398 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [2,0,0,0,0,0|1,0,0]=3 2399 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [2,0,0,0,0,0|2,0,0]=4 2400 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [2,0,0,0,0,0|1,0,0]=3 2401 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [2,0,0,0,0,0|1,0,0]=3 2402 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [2,0,0,0,0,0|1,0,0]=3 2403 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [2,0,0,0,0,0|1,0,0]=3 2404 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [2,0,0,0,0,0|1,0,0]=3 2405 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [2,0,0,0,0,0|1,0,0]=3 2406 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|0,0,0]=2 2407 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|0,0,0]=2 2408 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|0,0,0]=2 2409 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [2,0,0,0,0,0|2,0,0]=4 2410 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [2,0,0,0,0,0|2,0,0]=4 2411 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [2,0,0,0,0,0|2,0,0]=4 2412 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [2,0,0,0,0,0|2,0,0]=4 2413 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [2,0,0,0,0,0|2,0,0]=4 2414 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [2,0,0,0,0,0|2,0,0]=4 2415 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|1,0,0]=3 2416 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|1,0,0]=3 2417 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [2,0,0,0,0,0|1,0,0]=3 2418 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [2,0,0,0,0,0|1,0,0]=3 2419 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [2,0,0,0,0,0|1,0,0]=3 2420 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [2,0,0,0,0,0|1,0,0]=3 2421 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [2,0,0,0,0,0|2,0,0]=4 2422 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [2,0,0,0,0,0|2,0,0]=4 2423 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [2,0,0,0,0,0|2,0,0]=4 2424 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [2,0,0,0,0,0|2,0,0]=4 2425 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [2,0,0,0,0,0|2,0,0]=4 2426 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [2,0,0,0,0,0|2,0,0]=4 2427 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [2,0,0,0,0,0|2,0,0]=4 2428 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [2,0,0,0,0,0|2,0,0]=4 2429 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [2,0,0,0,0,0|2,0,0]=4 2430 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [2,0,0,0,0,0|1,0,0]=3 2431 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [2,0,0,0,0,0|1,0,0]=3 2432 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [2,0,0,0,0,0|1,0,0]=3 2433 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [2,0,0,0,0,0|1,0,0]=3 2434 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [2,0,0,0,0,0|2,0,0]=4 2435 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [2,0,0,0,0,0|2,0,0]=4 2436 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [2,0,0,0,0,0|2,0,0]=4 2437 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [2,0,0,0,0,0|2,0,0]=4 2438 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [2,0,0,0,0,0|2,0,0]=4 2439 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [2,0,0,0,0,0|2,0,0]=4 2440 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [2,0,0,0,0,0|2,0,0]=4 2441 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [2,0,0,0,0,0|2,0,0]=4 2442 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [2,0,0,0,0,0|1,0,0]=3 2443 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [2,0,0,0,0,0|1,0,0]=3 2444 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [2,0,0,0,0,0|2,0,0]=4 2445 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [2,0,0,0,0,0|2,0,0]=4 2446 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [2,0,0,0,0,0|2,0,0]=4 2447 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|1,0,0]=3 2448 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [2,0,0,0,0,0|2,0,0]=4 2449 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [2,0,0,0,0,0|2,0,0]=4 2450 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [2,0,0,0,0,0|1,0,0]=3 2451 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [2,0,0,0,0,0|1,0,0]=3 2452 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [2,0,0,0,0,0|2,0,0]=4 2453 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [2,0,0,0,0,0|1,0,0]=3 2454 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [2,0,0,0,0,0|1,0,1]=4 2455 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [2,0,0,0,0,0|1,0,1]=4 2456 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [2,0,0,0,0,0|2,0,0]=4 2457 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [2,0,0,0,0,0|2,0,0]=4 2458 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [2,0,0,0,0,0|1,0,0]=3 2459 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [2,0,0,0,0,0|1,0,0]=3 2460 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [2,0,0,0,0,0|1,0,0]=3 2461 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [2,0,0,0,0,0|2,0,0]=4 2462 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [2,0,0,0,0,0|2,0,0]=4 2463 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [2,0,0,0,0,0|1,0,0]=3 2464 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [2,0,0,0,0,0|2,0,0]=4 2465 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [2,0,0,0,0,0|2,0,0]=4 2466 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [2,0,0,0,0,0|2,0,0]=4 2467 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [2,0,0,0,0,0|2,0,0]=4 2468 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [2,0,0,0,0,0|2,0,0]=4 2469 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|1,0,0]=3 2470 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [2,0,0,0,0,0|2,0,0]=4 2471 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [2,0,0,0,0,0|1,0,1]=4 2472 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [2,0,0,0,0,0|2,0,0]=4 2473 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [1,1,0,0,0,0|0,0,2]=4 2474 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [1,1,0,0,0,0|0,0,2]=4 2475 B8R0.1 CC(CCN)COCF 34a_106354213184_100015361967 [1,1,0,0,0,0|1,0,1]=4 2476 B8R0.1 CCC#CC(C)OCC 34a_100000033903_100000210202 [1,1,0,0,0,0|1,0,1]=4 2477 B8R0.1 CCC#CC(C)OCC 7a_100000033903_100000210202 [1,1,0,0,0,0|1,0,1]=4 2478 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,1,0,0,0,0|1,0,1]=4 2479 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,1,0,0,0,0|1,0,1]=4 2480 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|0,0,1]=3 2481 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|0,0,1]=3 2482 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|0,0,1]=3 2483 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [1,1,0,0,0,0|1,0,1]=4 2484 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [1,1,0,0,0,0|1,0,1]=4 2485 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,1,0,0,0,0|0,1,1]=4 2486 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,1,0,0,0,0|0,1,1]=4 2487 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2488 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2489 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 2490 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 2491 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|1,0,1]=4 2492 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|1,0,1]=4 2493 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|1,0,1]=4 2494 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 2495 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,1]=4 2496 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 2497 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|1,0,1]=4 2498 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|1,0,1]=4 2499 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [1,1,0,0,0,0|1,0,1]=4 2500 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,1,0,0,0,0|2,0,0]=4 2501 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,1,0,0,0,0|2,0,0]=4 2502 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [1,1,0,0,0,0|2,0,0]=4 2503 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [1,1,0,0,0,0|2,0,0]=4 2504 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [1,1,0,0,0,0|2,0,0]=4 2505 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [1,1,0,0,0,0|2,0,0]=4 2506 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [1,1,0,0,0,0|2,0,0]=4 2507 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [1,1,0,0,0,0|2,0,0]=4 2508 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,1,0,0,0,0|2,0,0]=4 2509 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,1,0,0,0,0|2,0,0]=4 2510 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,1,0,0,0,0|2,0,0]=4 2511 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,1,0,0,0,0|2,0,0]=4 2512 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 2513 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 2514 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 2515 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 2516 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,1,0,0,0,0|2,0,0]=4 2517 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,1,0,0,0,0|2,0,0]=4 2518 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,1,0,0,0,0|2,0,0]=4 2519 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,1,0,0,0,0|2,0,0]=4 2520 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [1,1,0,0,0,0|2,0,0]=4 2521 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [1,1,0,0,0,0|2,0,0]=4 2522 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [1,1,0,0,0,0|2,0,0]=4 2523 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [1,1,0,0,0,0|2,0,0]=4 2524 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,1]=4 2525 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [1,1,0,0,0,0|0,1,1]=4 2526 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [1,1,0,0,0,0|0,0,1]=3 2527 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,1,0,0,0,0|0,0,1]=3 2528 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,1,0,0,0,0|0,0,1]=3 2529 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [1,1,0,0,0,0|1,0,1]=4 2530 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [1,1,0,0,0,0|1,0,1]=4 2531 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|1,0,1]=4 2532 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,1,0,0,0,0|1,0,1]=4 2533 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,1,0,0,0,0|1,0,1]=4 2534 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,1,0,0,0,0|1,0,1]=4 2535 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,1,0,0,0,0|1,0,1]=4 2536 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,1,0,0,0,0|1,0,1]=4 2537 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [1,1,0,0,0,0|1,0,1]=4 2538 B8R0.6 C#CCOCC(C)CC 34a_100000210247_100000748023 [1,1,0,0,0,0|0,0,2]=4 2539 B8R0.6 C#CCOC[C@@H](C)CC 34a_100000210247_100009816398 [1,1,0,0,0,0|0,0,2]=4 2540 B8R0.6 C#CCOC[C@@H](C)CC 7a_100009816381_100000038162 [1,1,0,0,0,0|0,0,2]=4 2541 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [1,1,0,0,0,0|0,0,2]=4 2542 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [1,1,0,0,0,0|0,0,2]=4 2543 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [1,1,0,0,0,0|0,0,2]=4 2544 B8R0.6 CC(CN)COCCF 34a_100000744482_100011217306 [1,1,0,0,0,0|1,0,1]=4 2545 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|1,0,1]=4 2546 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [1,1,0,0,0,0|2,0,0]=4 2547 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [1,1,0,0,0,0|2,0,0]=4 2548 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|1,0,1]=4 2549 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|1,0,1]=4 2550 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [1,1,0,0,0,0|1,0,1]=4 2551 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [1,1,0,0,0,0|1,0,1]=4 2552 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [1,1,0,0,0,0|1,0,1]=4 2553 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,1,0,0,0,0|1,0,1]=4 2554 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,1,0,0,0,0|1,0,1]=4 2555 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,1,0,0,0,0|1,0,1]=4 2556 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,1,0,0,0,0|1,0,1]=4 2557 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [1,1,0,0,0,0|1,0,1]=4 2558 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [1,1,0,0,0,0|1,0,1]=4 2559 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [1,1,0,0,0,0|0,0,1]=3 2560 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [1,1,0,0,0,0|0,0,1]=3 2561 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [1,1,0,0,0,0|0,1,1]=4 2562 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [1,1,0,0,0,0|0,1,1]=4 2563 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,1,0,0,0,0|0,1,1]=4 2564 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,1,0,0,0,0|0,1,1]=4 2565 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [1,1,0,0,0,0|0,1,1]=4 2566 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [1,1,0,0,0,0|0,1,1]=4 2567 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [1,1,0,0,0,0|0,1,1]=4 2568 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [1,1,0,0,0,0|0,1,1]=4 2569 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [1,1,0,0,0,0|2,0,0]=4 2570 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [1,1,0,0,0,0|2,0,0]=4 2571 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,1,0,0,0,0|2,0,0]=4 2573 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [1,1,0,0,0,0|2,0,0]=4 2574 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [1,1,0,0,0,0|2,0,0]=4 2575 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [1,1,0,0,0,0|2,0,0]=4 2576 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [1,1,0,0,0,0|2,0,0]=4 2577 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [1,1,0,0,0,0|2,0,0]=4 2578 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [1,1,0,0,0,0|2,0,0]=4 2579 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [1,1,0,0,0,0|2,0,0]=4 2580 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [1,1,0,0,0,0|2,0,0]=4 2581 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [1,1,0,0,0,0|2,0,0]=4 2582 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|2,0,0]=4 2583 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [1,1,0,0,0,0|2,0,0]=4 2584 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [1,1,0,0,0,0|2,0,0]=4 2585 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [1,1,0,0,0,0|2,0,0]=4 2586 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [1,1,0,0,0,0|2,0,0]=4 2587 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [1,1,0,0,0,0|2,0,0]=4 2588 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [1,1,0,0,0,0|2,0,0]=4 2589 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [1,1,0,0,0,0|2,0,0]=4 2590 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [1,1,0,0,0,0|2,0,0]=4 2591 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [1,1,0,0,0,0|2,0,0]=4 2592 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [1,1,0,0,0,0|2,0,0]=4 2593 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [1,1,0,0,0,0|2,0,0]=4 2594 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [1,1,0,0,0,0|2,0,0]=4 2595 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [1,1,0,0,0,0|2,0,0]=4 2596 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [1,1,0,0,0,0|1,0,1]=4 2597 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [1,1,0,0,0,0|1,0,1]=4 2598 B8R0.6 CCC=NNC(C)CC 4a_100000718999_100000210100 [1,1,0,0,0,0|2,0,0]=4 2599 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,1,0,0,0,0|1,0,1]=4 2600 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,1,0,0,0,0|1,0,1]=4 2601 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,1,0,0,0,0|1,0,1]=4 2602 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|1,0,1]=4 2603 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|1,0,1]=4 2604 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|1,0,1]=4 2605 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,1,0,0,0,0|1,0,1]=4 2606 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,1,0,0,0,0|1,0,1]=4 2607 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,1,0,0,0,0|1,0,1]=4 2608 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,1,0,0,0,0|1,0,1]=4 2609 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,1,0,0,0,0|0,0,1]=3 2610 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,1,0,0,0,0|1,0,1]=4 2611 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,1,0,0,0,0|1,0,1]=4 2612 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,1,0,0,0,0|1,0,1]=4 2613 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,1,0,0,0,0|0,0,1]=3 2614 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,1,0,0,0,0|0,0,1]=3 2615 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|1,0,1]=4 2616 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,1,0,0,0,0|0,1,1]=4 2617 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,1,0,0,0,0|0,1,1]=4 2618 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,1,0,0,0,0|0,1,1]=4 2619 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,1,0,0,0,0|0,1,1]=4 2620 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,1,0,0,0,0|1,0,1]=4 2621 B8R0.6 CCNN=CC(C)CC 4a_100000756455_100000243153 [1,1,0,0,0,0|1,0,0]=3 2622 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,1,0,0,0,0|1,0,1]=4 2623 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|0,0,1]=3 2624 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,1,0,0,0,0|1,0,1]=4 2625 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|1,0,1]=4 2626 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [1,1,0,0,0,0|1,0,1]=4 2627 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [1,1,0,0,0,0|1,0,1]=4 2628 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [1,1,0,0,0,0|0,0,1]=3 2629 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [1,1,0,0,0,0|0,0,1]=3 2630 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [1,1,0,0,0,0|1,0,1]=4 2631 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [1,1,0,0,0,0|1,0,1]=4 2632 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [1,1,0,0,0,0|1,0,1]=4 2633 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [1,1,0,0,0,0|1,0,1]=4 2634 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [1,1,0,0,0,0|1,0,1]=4 2635 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [1,1,0,0,0,0|1,0,1]=4 2636 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,1,0,0,0,0|1,0,1]=4 2637 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,1,0,0,0,0|1,0,1]=4 2638 B8R0.6 CC[C@H](C)COCC#N 7a_100009816381_100011215382 [1,1,0,0,0,0|0,0,2]=4 2639 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,0,0,0,0|0,0,2]=4 2640 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [1,1,0,0,0,0|0,0,1]=3 2641 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [1,1,0,0,0,0|0,0,1]=3 2642 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [1,1,0,0,0,0|0,0,1]=3 2643 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,1,0,0,0,0|0,0,1]=3 2644 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [1,1,0,0,0,0|0,1,1]=4 2645 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [1,1,0,0,0,0|0,1,1]=4 2646 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,1,0,0,0,0|0,1,1]=4 2647 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,1,0,0,0,0|0,1,1]=4 2648 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [1,1,0,0,0,0|0,1,1]=4 2649 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [1,1,0,0,0,0|0,1,1]=4 2650 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [1,1,0,0,0,0|0,1,1]=4 2651 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [1,1,0,0,0,0|0,1,1]=4 2652 B8R0.6 COC(C)COCCF 34a_100000690652_100011217306 [1,1,0,0,0,0|1,0,1]=4 2653 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [1,1,0,0,0,0|1,0,1]=4 2654 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [1,1,0,0,0,0|1,0,1]=4 2655 B8R0.6 CSCOCC(C)CN 34a_100000744482_100011218213 [1,1,0,0,0,0|1,0,1]=4 2656 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [1,1,0,0,0,0|1,0,1]=4 2657 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,1,0,0,0,0|1,0,1]=4 2658 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [1,1,0,0,0,0|2,0,0]=4 2659 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [1,1,0,0,0,0|2,0,0]=4 2660 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|0,0,2]=4 2661 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|0,0,2]=4 2662 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [1,1,0,0,0,0|1,0,1]=4 2663 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [1,1,0,0,0,0|1,0,1]=4 2664 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [1,1,0,0,0,0|1,0,1]=4 2665 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [1,1,0,0,0,0|1,0,1]=4 2666 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [1,1,0,0,0,0|1,0,1]=4 2667 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [1,1,0,0,0,0|1,0,1]=4 2668 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [1,1,0,0,0,0|1,0,1]=4 2669 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [1,1,0,0,0,0|0,0,1]=3 2670 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [1,1,0,0,0,0|0,1,1]=4 2671 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [1,1,0,0,0,0|0,1,1]=4 2672 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [1,1,0,0,0,0|2,0,0]=4 2673 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [1,1,0,0,0,0|2,0,0]=4 2674 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [1,1,0,0,0,0|2,0,0]=4 2675 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [1,1,0,0,0,0|2,0,0]=4 2676 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [1,1,0,0,0,0|2,0,0]=4 2677 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [1,1,0,0,0,0|2,0,0]=4 2678 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [1,1,0,0,0,0|2,0,0]=4 2679 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [1,1,0,0,0,0|2,0,0]=4 2680 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [1,1,0,0,0,0|2,0,0]=4 2681 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [1,1,0,0,0,0|2,0,0]=4 2682 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [1,1,0,0,0,0|2,0,0]=4 2683 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [1,1,0,0,0,0|2,0,0]=4 2684 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [1,1,0,0,0,0|2,0,0]=4 2685 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [1,1,0,0,0,0|2,0,0]=4 2686 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [1,1,0,0,0,0|2,0,0]=4 2687 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [1,1,0,0,0,0|2,0,0]=4 2688 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [1,1,0,0,0,0|2,0,0]=4 2689 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [1,1,0,0,0,0|2,0,0]=4 2690 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [1,1,0,0,0,0|2,0,0]=4 2691 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [1,1,0,0,0,0|2,0,0]=4 2692 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [1,1,0,0,0,0|2,0,0]=4 2693 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [1,1,0,0,0,0|2,0,0]=4 2694 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [1,1,0,0,0,0|1,0,1]=4 2695 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [1,1,0,0,0,0|1,0,1]=4 2696 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [1,1,0,0,0,0|1,0,1]=4 2697 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [1,1,0,0,0,0|1,0,1]=4 2698 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [1,1,0,0,0,0|1,0,1]=4 2699 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [1,1,0,0,0,0|0,0,1]=3 2700 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [1,1,0,0,0,0|0,0,1]=3 2701 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [1,1,0,0,0,0|0,1,1]=4 2702 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [1,1,0,0,0,0|0,1,1]=4 2703 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [1,1,0,0,0,0|1,0,1]=4 2704 B8R0.11 CCC(CC)COCF 7a_100000703878_100015361967 [1,1,0,0,0,0|1,0,1]=4 2705 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [1,1,0,0,0,0|1,0,1]=4 2706 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [1,1,0,0,0,0|1,0,1]=4 2707 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [1,1,0,0,0,0|1,0,1]=4 2708 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [1,1,0,0,0,0|1,0,1]=4 2709 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [1,1,0,0,0,0|1,0,1]=4 2710 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,1,0,0,0,0|1,0,1]=4 2711 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,1,0,0,0,0|1,0,1]=4 2712 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,1,0,0,0,0|1,0,1]=4 2713 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,1,0,0,0,0|1,0,1]=4 2714 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,1,0,0,0,0|1,0,1]=4 2715 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [1,1,0,0,0,0|1,0,1]=4 2716 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [1,1,0,0,0,0|1,0,1]=4 2717 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [1,1,0,0,0,0|1,0,1]=4 2718 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [1,1,0,0,0,0|1,0,1]=4 2719 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [1,1,0,0,0,0|2,0,0]=4 2720 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [1,1,0,0,0,0|2,0,0]=4 2721 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [1,1,0,0,0,0|2,0,0]=4 2722 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [1,1,0,0,0,0|2,0,0]=4 2723 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [1,1,0,0,0,0|2,0,0]=4 2724 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [1,1,0,0,0,0|2,0,0]=4 2725 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [1,1,0,0,0,0|1,0,1]=4 2726 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [1,1,0,0,0,0|1,0,1]=4 2727 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [1,1,0,0,0,0|1,0,1]=4 2728 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [1,1,0,0,0,0|1,0,1]=4 2729 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [1,1,0,0,0,0|0,0,1]=3 2730 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [1,1,0,0,0,0|0,0,1]=3 2731 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [1,1,0,0,0,0|0,0,1]=3 2732 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [1,1,0,0,0,0|0,0,1]=3 2733 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [1,1,0,0,0,0|1,0,1]=4 2734 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [1,1,0,0,0,0|1,0,1]=4 2735 B8R0.11 CCOCC(OC)OC 34a_100011216393_100000210202 [1,1,0,0,0,0|1,0,1]=4 2736 B8R0.11 CCOCC(OC)OC 34a_100121572206_100000211822 [1,1,0,0,0,0|1,0,1]=4 2737 B8R0.11 CCOCN(CC)CC 269956a_100000042499_100000739092 [1,1,0,0,0,0|1,0,1]=4 2738 B8R0.11 CCOCN(CC)CC 269982a_100000724800_100000739092 [1,1,0,0,0,0|1,0,1]=4 2739 B8R0.11 CCOCN(CC)CC 7a_200015374951_100000210202 [1,1,0,0,0,0|1,0,1]=4 2740 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [1,1,0,0,0,0|0,1,1]=4 2741 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [1,1,0,0,0,0|0,1,1]=4 2742 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,1,0,0,0,0|1,0,1]=4 2743 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,1]=4 2744 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,1]=4 2745 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,1]=4 2746 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 2747 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 2748 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 2749 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 2750 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [1,1,0,0,0,0|1,0,1]=4 2751 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [1,1,0,0,0,0|1,0,1]=4 2752 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [1,1,0,0,0,0|1,0,1]=4 2753 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [1,1,0,0,0,0|1,0,1]=4 2754 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [1,1,0,0,0,0|2,0,0]=4 2755 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [1,1,0,0,0,0|2,0,0]=4 2756 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [1,1,0,0,0,0|2,0,0]=4 2757 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [1,1,0,0,0,0|1,0,1]=4 2758 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [1,1,0,0,0,0|1,0,1]=4 2759 B8R0.25 CCC(C)(C)COCF 7a_100000765029_100015361967 [1,1,0,0,0,0|1,0,1]=4 2760 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [1,1,0,0,0,0|2,0,0]=4 2761 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [1,1,0,0,0,0|2,0,0]=4 2762 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [1,1,0,0,0,0|2,0,0]=4 2763 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [1,1,0,0,0,0|2,0,0]=4 2764 B8R0.25 CCOCC(C)(C)CC 7a_100000765029_100000210202 [1,1,0,0,0,0|0,0,1]=3 2765 B8R0.25 CCOCC(C)(C)CCl 7a_100011217199_100000210202 [1,1,0,0,0,0|1,0,1]=4 2766 B8R0.25 CCOCC(C)(C)CO 34a_100121572206_100009813988 [1,1,0,0,0,0|1,0,1]=4 2767 B8R0.25 CCOCC(C)(C)OC 34a_100121572206_100000701081 [1,1,0,0,0,0|1,0,1]=4 2768 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [1,1,0,0,0,0|1,0,1]=4 2769 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [1,1,0,0,0,0|2,0,0]=4 2770 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [1,1,0,0,0,0|2,0,0]=4 2771 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [1,1,0,0,0,0|2,0,0]=4 2772 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [1,1,0,0,0,0|2,0,0]=4 2773 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [1,1,0,0,0,0|1,0,0]=3 2774 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [1,1,0,0,0,0|1,0,0]=3 2775 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [1,1,0,0,0,0|2,0,0]=4 2776 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [1,1,0,0,0,0|2,0,0]=4 2777 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [1,1,0,0,0,0|2,0,0]=4 2778 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [1,1,0,0,0,0|2,0,0]=4 2779 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [1,1,0,0,0,0|2,0,0]=4 2780 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [1,1,0,0,0,0|2,0,0]=4 2781 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [1,1,0,0,0,0|2,0,0]=4 2782 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [1,1,0,0,0,0|1,0,0]=3 2783 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [1,1,0,0,0,0|2,0,0]=4 2784 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 2785 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 2786 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 2787 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [1,1,0,0,0,0|1,0,0]=3 2788 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [1,1,0,0,0,0|2,0,0]=4 2789 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [1,1,0,0,0,0|2,0,0]=4 2790 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [1,1,0,0,0,0|2,0,0]=4 2791 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [1,1,0,0,0,0|2,0,0]=4 2792 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [1,1,0,0,0,0|2,0,0]=4 2793 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [1,1,0,0,0,0|2,0,0]=4 2794 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [1,1,0,0,0,0|2,0,0]=4 2795 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [1,1,0,0,0,0|2,0,0]=4 2796 B8R0.2 CNC(C)C(=O)C(C)C 2230a_106832991635_100009893295 [1,1,0,0,0,0|2,0,0]=4 2797 B8R0.2 CNC(C)C(=O)C(C)C 7a_106832991635_100009893295 [1,1,0,0,0,0|2,0,0]=4 2798 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [1,1,0,0,0,0|2,0,0]=4 2799 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [1,1,0,0,0,0|2,0,0]=4 2800 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [1,1,0,0,0,0|2,0,0]=4 2801 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [1,1,0,0,0,0|2,0,0]=4 2802 B8R0.12 CCNS(=O)(=O)C(C)C 270084a_100015525214_100000742656 [1,1,0,0,0,0|2,0,0]=4 2803 B8R0.12 CCNS(=O)(=O)C(C)C 274078a_100015525214_100000742656 [1,1,0,0,0,0|2,0,0]=4 2804 B8R0.12 CCOC(C)(C)C(C)C 7a_100011215261_100000210202 [1,1,0,0,0,0|1,0,1]=4 2805 B8R0.14 CC(C)(C)C(=O)CCF 1458a_106744555173_100011217306 [1,1,0,0,0,0|2,0,0]=4 2806 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [1,1,0,0,0,0|2,0,0]=4 2807 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [1,1,0,0,0,0|2,0,0]=4 2808 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [1,1,0,0,0,0|2,0,0]=4 2809 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_100000210923_200025704644 [1,1,0,0,0,0|2,0,0]=4 2810 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_200025704644_100000210923 [1,1,0,0,0,0|2,0,0]=4 2811 B8R0.14 CC(C)(F)C(=O)CCF 1458a_100000765255_100011217306 [1,1,0,0,0,0|2,0,0]=4 2812 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [1,1,0,0,0,0|2,0,0]=4 2813 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [1,1,0,0,0,0|2,0,0]=4 2814 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [1,1,0,0,0,0|2,0,0]=4 2815 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [1,1,0,0,0,0|1,0,0]=3 2816 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [1,1,0,0,0,0|1,0,0]=3 2817 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [1,1,0,0,0,0|1,0,0]=3 2818 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [1,1,0,0,0,0|1,0,0]=3 2819 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [1,1,0,0,0,0|1,0,0]=3 2820 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [1,1,0,0,0,0|1,0,0]=3 2821 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [1,1,0,0,0,0|1,0,0]=3 2822 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [1,1,0,0,0,0|1,0,0]=3 2823 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [1,1,0,0,0,0|1,0,0]=3 2824 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [1,1,0,0,0,0|1,0,0]=3 2825 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [1,1,0,0,0,0|2,0,0]=4 2826 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [1,1,0,0,0,0|2,0,0]=4 2827 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [1,1,0,0,0,0|2,0,0]=4 2828 B8R0.14 CNCC(=O)C(C)(C)C 34a_100102657272_100000229897 [1,1,0,0,0,0|2,0,0]=4 2829 B8R0.14 CNCC(=O)C(C)(C)C 7a_106832991635_100000210923 [1,1,0,0,0,0|2,0,0]=4 2830 B8R0.14 CNNC(=O)C(C)(C)C 22a_100016993582_106744555173 [1,1,0,0,0,0|2,0,0]=4 2831 B8R0.14 CNNC(=O)C(C)(C)F 22a_100016993582_100000765255 [1,1,0,0,0,0|2,0,0]=4 2832 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [1,1,0,0,0,0|2,0,0]=4 2833 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [1,1,0,0,0,0|2,0,0]=4 2834 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [1,1,0,0,0,0|2,0,0]=4 2835 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [1,1,0,0,0,0|2,0,0]=4 2836 B8R0.14 CSCC(=O)C(C)(C)C 62a_100000210923_200000210301 [1,1,0,0,0,0|2,0,0]=4 2837 B8R0.14 CSCC(=O)C(C)(C)C 62a_200000210301_100000210923 [1,1,0,0,0,0|2,0,0]=4 2838 B8R0.15 C#CC(OCC)C(C)C 34a_100011217124_100000210202 [1,1,0,0,0,0|1,0,1]=4 2839 B8R0.15 C#CC(OCC)C(C)C 7a_100011217124_100000210202 [1,1,0,0,0,0|1,0,1]=4 2840 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [1,1,0,0,0,0|1,0,1]=4 2841 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [1,1,0,0,0,0|1,0,1]=4 2842 B8R0.15 CCOC(C#N)C(C)C 34a_100000748901_100000210202 [1,1,0,0,0,0|1,0,1]=4 2843 B8R0.15 CCOC(C#N)C(C)C 7a_100000748901_100000210202 [1,1,0,0,0,0|1,0,1]=4 2844 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [1,1,0,0,0,0|1,0,1]=4 2845 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [1,1,0,0,0,0|1,0,1]=4 2846 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [1,1,0,0,0,0|1,0,1]=4 2847 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [1,1,0,0,0,0|1,0,1]=4 2848 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [1,1,0,0,0,0|1,0,1]=4 2849 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [1,1,0,0,0,0|1,0,1]=4 2850 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [1,1,0,0,0,0|1,0,1]=4 2851 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [1,1,0,0,0,0|1,0,1]=4 2852 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [1,1,0,0,0,0|2,0,0]=4 2853 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [1,1,0,0,0,0|2,0,0]=4 2854 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [1,1,0,0,0,0|2,0,0]=4 2855 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [1,1,0,0,0,0|2,0,0]=4 2856 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [1,1,0,0,0,0|1,0,0]=3 2857 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [1,1,0,0,0,0|2,0,0]=4 2858 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [1,1,0,0,0,0|1,0,0]=3 2859 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [1,1,0,0,0,0|1,0,0]=3 2860 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [1,1,0,0,0,0|2,0,0]=4 2861 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 2862 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 2863 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 2864 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 2865 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [1,1,0,0,0,0|2,0,0]=4 2866 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [1,1,0,0,0,0|2,0,0]=4 2867 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2868 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2869 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2870 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [1,1,0,0,0,0|1,0,0]=3 2871 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 2872 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 2873 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 2874 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [1,1,0,0,0,0|2,0,0]=4 2875 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [1,1,0,0,0,0|2,0,0]=4 2876 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [1,1,0,0,0,0|2,0,0]=4 2877 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [1,1,0,0,0,0|2,0,0]=4 2878 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [1,1,0,0,0,0|2,0,0]=4 2879 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [1,1,0,0,0,0|1,0,1]=4 2880 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [1,1,0,0,0,0|1,0,0]=3 2881 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [1,1,0,0,0,0|2,0,0]=4 2882 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,1,0,0,0,0|2,0,0]=4 2883 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,1,0,0,0,0|2,0,0]=4 2884 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [1,1,0,0,0,0|2,0,0]=4 2885 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|1,0,1]=4 2886 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [1,1,0,0,0,0|1,0,1]=4 2887 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [1,1,0,0,0,0|1,0,1]=4 2888 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [1,1,0,0,0,0|2,0,0]=4 2889 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [1,1,0,0,0,0|2,0,0]=4 2890 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [1,1,0,0,0,0|2,0,0]=4 2891 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [1,1,0,0,0,0|2,0,0]=4 2892 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [1,1,0,0,0,0|2,0,0]=4 2893 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [1,1,0,0,0,0|2,0,0]=4 2894 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [1,1,0,0,0,0|2,0,0]=4 2895 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [1,1,0,0,0,0|1,0,0]=3 2896 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [1,1,0,0,0,0|1,0,0]=3 2897 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,1,0,0,0,0|2,0,0]=4 2898 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,1,0,0,0,0|1,0,1]=4 2899 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [1,1,0,0,0,0|1,0,1]=4 2900 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|1,0,1]=4 2901 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,1,0,0,0,0|1,0,1]=4 2902 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,1,0,0,0,0|1,0,1]=4 2903 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 2904 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,1,0,0,0,0|1,0,0]=3 2905 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,1,0,0,0,0|1,0,0]=3 2906 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,1,0,0,0,0|1,0,0]=3 2907 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [1,1,0,0,0,0|2,0,0]=4 2908 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [1,1,0,0,0,0|2,0,0]=4 2909 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [1,1,0,0,0,0|2,0,0]=4 2910 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [1,1,0,0,0,0|2,0,0]=4 2911 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,1,0,0,0,0|1,0,0]=3 2912 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [1,1,0,0,0,0|2,0,0]=4 2913 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 2914 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 2915 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 2916 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [1,1,0,0,0,0|1,0,0]=3 2917 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,1,0,0,0,0|1,0,1]=4 2918 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 2919 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 2920 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 2921 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [1,1,0,0,0,0|1,0,0]=3 2922 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [1,1,0,0,0,0|1,0,0]=3 2923 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [1,1,0,0,0,0|1,0,0]=3 2924 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [1,1,0,0,0,0|2,0,0]=4 2925 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2926 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [1,1,0,0,0,0|2,0,0]=4 2927 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [1,1,0,0,0,0|2,0,0]=4 2928 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2929 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [1,1,0,0,0,0|2,0,0]=4 2930 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [1,1,0,0,0,0|2,0,0]=4 2931 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2932 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2933 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,1,0,0,0,0|1,0,0]=3 2934 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [1,1,0,0,0,0|2,0,0]=4 2935 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [1,1,0,0,0,0|2,0,0]=4 2936 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [1,1,0,0,0,0|2,0,0]=4 2937 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [1,1,0,0,0,0|2,0,0]=4 2938 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [1,1,0,0,0,0|2,0,0]=4 2939 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [1,1,0,0,0,0|2,0,0]=4 2940 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [1,1,0,0,0,0|2,0,0]=4 2941 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [1,1,0,0,0,0|2,0,0]=4 2942 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|0,0,1]=3 2943 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|0,0,1]=3 2944 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|0,0,1]=3 2945 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [1,1,0,0,0,0|1,0,0]=3 2946 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [1,1,0,0,0,0|1,0,0]=3 2947 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [1,1,0,0,0,0|1,0,0]=3 2948 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [1,1,0,0,0,0|1,0,0]=3 2949 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,1,0,0,0,0|1,0,1]=4 2950 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,1,0,0,0,0|1,0,1]=4 2951 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,1,0,0,0,0|1,0,1]=4 2952 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [1,1,0,0,0,0|2,0,0]=4 2953 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [1,1,0,0,0,0|2,0,0]=4 2954 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [1,1,0,0,0,0|2,0,0]=4 2955 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [1,1,0,0,0,0|2,0,0]=4 2956 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [1,1,0,0,0,0|1,0,0]=3 2957 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [1,1,0,0,0,0|1,0,0]=3 2958 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [1,1,0,0,0,0|1,0,0]=3 2959 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [1,1,0,0,0,0|2,0,0]=4 2960 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [1,1,0,0,0,0|2,0,0]=4 2961 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [1,1,0,0,0,0|2,0,0]=4 2962 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,1,0,0,0,0|2,0,0]=4 2963 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [1,1,0,0,0,0|2,0,0]=4 2964 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [1,1,0,0,0,0|2,0,0]=4 2965 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [1,1,0,0,0,0|2,0,0]=4 2966 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [1,1,0,0,0,0|2,0,0]=4 2967 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [1,1,0,0,0,0|2,0,0]=4 2968 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [1,1,0,0,0,0|1,0,0]=3 2969 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [1,1,0,0,0,0|2,0,0]=4 2970 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,1,0,0,0,0|2,0,0]=4 2971 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [1,1,0,0,0,0|2,0,0]=4 2972 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [1,1,0,0,0,0|2,0,0]=4 2973 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [1,1,0,0,0,0|2,0,0]=4 2974 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [1,1,0,0,0,0|2,0,0]=4 2975 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [1,1,0,0,0,0|2,0,0]=4 2976 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [1,1,0,0,0,0|2,0,0]=4 2977 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [1,1,0,0,0,0|1,0,0]=3 2978 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [1,1,0,0,0,0|1,0,0]=3 2979 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [1,1,0,0,0,0|2,0,0]=4 2980 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,1,0,0,0,0|2,0,0]=4 2981 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [1,1,0,0,0,0|1,0,1]=4 2982 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [1,1,0,0,0,0|1,0,1]=4 2983 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 2984 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 2985 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [1,1,0,0,0,0|1,0,1]=4 2986 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [1,1,0,0,0,0|1,0,1]=4 2987 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 2988 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [1,1,0,0,0,0|1,0,1]=4 2989 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [1,1,0,0,0,0|1,0,1]=4 2990 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [1,1,0,0,0,0|2,0,0]=4 2991 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [1,1,0,0,0,0|2,0,0]=4 2992 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [1,1,0,0,0,0|2,0,0]=4 2993 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000079900_100000210202 [1,1,0,0,0,0|0,0,2]=4 2994 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000210414_100000038118 [1,1,0,0,0,0|0,0,2]=4 2995 B8R0.13 C=CC(C)(C)C(=O)CC 1458a_100012027013_100000210202 [1,1,0,0,0,0|0,0,2]=4 2996 B8R0.13 CC(C)(CF)C(=O)CF 1458a_100000138116_100015361967 [1,1,0,0,0,0|2,0,0]=4 2997 B8R0.13 CC(C)(CO)C(=O)CF 1458a_100000749806_100015361967 [1,1,0,0,0,0|2,0,0]=4 2998 B8R0.13 CCC(=O)C(C)(C)C#N 1458a_100000740761_100000210202 [1,1,0,0,0,0|1,0,1]=4 2999 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [1,1,0,0,0,0|0,0,0]=2 3000 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [1,1,0,0,0,0|1,0,0]=3 3001 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [1,1,0,0,0,0|1,0,0]=3 3002 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [1,1,0,0,0,0|1,0,0]=3 3003 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [1,1,0,0,0,0|0,0,0]=2 3004 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [1,1,0,0,0,0|1,0,0]=3 3005 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [1,1,0,0,0,0|1,0,0]=3 3006 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [1,1,0,0,0,0|1,0,0]=3 3007 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [1,1,0,0,0,0|1,0,0]=3 3008 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [1,1,0,0,0,0|1,0,0]=3 3009 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [1,1,0,0,0,0|1,0,0]=3 3010 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [1,1,0,0,0,0|1,0,0]=3 3011 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [1,1,0,0,0,0|1,0,0]=3 3012 B8R0.13 CCC(C)S(=O)(=O)NC 270084a_100102657272_100000685195 [1,1,0,0,0,0|2,0,0]=4 3013 B8R0.13 CCC(C)S(=O)(=O)NC 274078a_100102657272_100000685195 [1,1,0,0,0,0|2,0,0]=4 3014 B8R0.13 CCC(F)(F)C(=O)CF 1458a_100000061896_100015361967 [1,1,0,0,0,0|2,0,0]=4 3015 B8R0.13 CCC(F)(F)C(=O)NC 11a_106832991635_100000061896 [1,1,0,0,0,0|2,0,0]=4 3016 B8R0.13 CCC(F)(F)C(=O)NC 1626a_100102657272_100000061896 [1,1,0,0,0,0|2,0,0]=4 3017 B8R0.13 CCC(F)(F)C(=O)NC 240690a_100102657272_100000061896 [1,1,0,0,0,0|2,0,0]=4 3018 B8R0.13 CCC(F)(F)C(=O)NC 527a_100102657272_100000061896 [1,1,0,0,0,0|2,0,0]=4 3019 B8R0.13 CCN(C)C(C)(C)CC 2230a_200000755171_100000210202 [1,1,0,0,0,0|2,0,0]=4 3020 B8R0.13 CCN(C)C(C)(C)CC 269982a_100000225621_100000032637 [1,1,0,0,0,0|2,0,0]=4 3021 B8R0.13 CCN(C)C(C)(C)CC 269982a_200000755171_100000204670 [1,1,0,0,0,0|2,0,0]=4 3022 B8R0.13 CCN(C)S(=O)(=O)CC 270084a_100000225621_100000211323 [1,1,0,0,0,0|2,0,0]=4 3023 B8R0.13 CCN(C)S(=O)(=O)CC 274078a_100000225621_100000211323 [1,1,0,0,0,0|2,0,0]=4 3024 B8R0.13 CCN(C)S(=O)(=O)CC 40a_100000225621_100000053943 [1,1,0,0,0,0|2,0,0]=4 3025 B8R0.13 CNC(=O)C(C)(C)CF 11a_106832991635_100000138116 [1,1,0,0,0,0|2,0,0]=4 3026 B8R0.13 CNC(=O)C(C)(C)CF 1626a_100102657272_100000138116 [1,1,0,0,0,0|2,0,0]=4 3027 B8R0.13 CNC(=O)C(C)(C)CF 240690a_100102657272_100000138116 [1,1,0,0,0,0|2,0,0]=4 3028 B8R0.13 CNC(=O)C(C)(C)CF 527a_100102657272_100000138116 [1,1,0,0,0,0|2,0,0]=4 3029 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [1,1,0,0,0,0|2,0,0]=4 3030 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [1,1,0,0,0,0|2,0,0]=4 3031 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [1,1,0,0,0,0|2,0,0]=4 3032 B8R0.13 CNC(=O)C(C)(C)NC 2230a_106832991635_100000732697 [1,1,0,0,0,0|2,0,0]=4 3033 B8R0.13 CNC(=O)C(C)(C)NC 34a_100102657272_100000732697 [1,1,0,0,0,0|2,0,0]=4 3034 B8R0.13 CNC(=O)C(C)(C)OC 11a_106832991635_100000753492 [1,1,0,0,0,0|2,0,0]=4 3035 B8R0.13 CNC(=O)C(C)(C)OC 1626a_100102657272_100000753492 [1,1,0,0,0,0|2,0,0]=4 3036 B8R0.13 CNC(=O)C(C)(C)OC 240690a_100102657272_100000753492 [1,1,0,0,0,0|2,0,0]=4 3037 B8R0.13 CNC(=O)C(C)(C)OC 34a_100138415774_100000732697 [1,1,0,0,0,0|2,0,0]=4 3038 B8R0.13 CNC(=O)C(C)(C)OC 527a_100102657272_100000753492 [1,1,0,0,0,0|2,0,0]=4 3039 B8R0.13 CNC(=O)C(C)(C)SC 62a_100000732697_200000210301 [1,1,0,0,0,0|2,0,0]=4 3040 B8R0.13 CNC(=O)C(C)(C)SC 62a_200000210301_100000732697 [1,1,0,0,0,0|2,0,0]=4 3041 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_100000732697_200025704644 [1,1,0,0,0,0|2,0,0]=4 3042 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000732697 [1,1,0,0,0,0|2,0,0]=4 3043 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [1,1,0,0,0,0|1,0,0]=3 3044 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [1,1,0,0,0,0|1,0,0]=3 3045 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [1,1,0,0,0,0|1,0,0]=3 3046 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [1,1,0,0,0,0|2,0,0]=4 3047 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [1,1,0,0,0,0|2,0,0]=4 3048 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [1,1,0,0,0,0|1,0,0]=3 3049 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [1,1,0,0,0,0|1,0,0]=3 3050 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [1,1,0,0,0,0|1,0,0]=3 3051 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [1,1,0,0,0,0|1,0,0]=3 3052 B8R0.13 COC(=O)C(C)(C)SC 62a_100000689032_200000210301 [1,1,0,0,0,0|1,0,0]=3 3053 B8R0.13 COC(=O)C(C)(C)SC 62a_200000210301_100000689032 [1,1,0,0,0,0|1,0,0]=3 3054 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_100000689032_200025704644 [1,1,0,0,0,0|1,0,0]=3 3055 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000689032 [1,1,0,0,0,0|1,0,0]=3 3056 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [1,1,0,0,0,0|1,0,0]=3 3057 B8R0.13 COC(=O)C(C)(F)SC 62a_200000210301_200009867631 [1,1,0,0,0,0|1,0,0]=3 3058 B8R0.13 COC(=O)C(C)(F)SC 62a_200009867631_200000210301 [1,1,0,0,0,0|1,0,0]=3 3059 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200009867631_200025704644 [1,1,0,0,0,0|1,0,0]=3 3060 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200025704644_200009867631 [1,1,0,0,0,0|1,0,0]=3 3061 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [1,1,0,0,0,0|2,0,0]=4 3062 B8R0.13 COC(=O)C(F)(F)SC 62a_100000211177_200000210301 [1,1,0,0,0,0|2,0,0]=4 3063 B8R0.13 COC(=O)C(F)(F)SC 62a_200000210301_100000211177 [1,1,0,0,0,0|2,0,0]=4 3064 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_100000211177_200025704644 [1,1,0,0,0,0|2,0,0]=4 3065 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000211177 [1,1,0,0,0,0|2,0,0]=4 3066 B8R0.13 COC(C)(C)C(=O)CF 1458a_100000753492_100015361967 [1,1,0,0,0,0|2,0,0]=4 3067 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [1,1,0,0,0,0|0,0,2]=4 3068 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [1,1,0,0,0,0|0,0,2]=4 3069 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [1,1,0,0,0,0|0,0,0]=2 3070 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [1,1,0,0,0,0|0,0,0]=2 3071 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [1,1,0,0,0,0|0,0,0]=2 3072 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [1,1,0,0,0,0|0,0,0]=2 3073 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [1,1,0,0,0,0|0,0,0]=2 3074 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [1,1,0,0,0,0|0,0,0]=2 3075 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [1,1,0,0,0,0|0,0,0]=2 3076 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [1,1,0,0,0,0|1,0,0]=3 3077 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [1,1,0,0,0,0|1,0,0]=3 3078 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [1,1,0,0,0,0|1,0,0]=3 3079 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [1,1,0,0,0,0|1,0,0]=3 3080 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [1,1,0,0,0,0|1,0,0]=3 3081 B8R0.20 CCC(C)N(CC)CC 2230a_100000724800_100000758301 [1,1,0,0,0,0|2,0,0]=4 3082 B8R0.20 CCC(C)N(CC)CC 2230a_100000732650_100000210202 [1,1,0,0,0,0|2,0,0]=4 3083 B8R0.20 CCC(C)N(CC)CC 269956a_100000042499_100000758301 [1,1,0,0,0,0|2,0,0]=4 3084 B8R0.20 CCC(C)N(CC)CC 269982a_100000724800_100000758301 [1,1,0,0,0,0|2,0,0]=4 3085 B8R0.20 CCC(C)N(CC)CC 269982a_100000732650_100000204670 [1,1,0,0,0,0|2,0,0]=4 3086 B8R0.20 CCC(C)N(CC)CF 269982a_100000732650_100015361967 [1,1,0,0,0,0|2,0,0]=4 3087 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [1,1,0,0,0,0|1,0,0]=3 3088 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [1,1,0,0,0,0|1,0,0]=3 3089 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [1,1,0,0,0,0|1,0,0]=3 3090 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [1,1,0,0,0,0|1,0,0]=3 3091 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [1,1,0,0,0,0|1,0,0]=3 3092 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [1,1,0,0,0,0|1,0,0]=3 3093 B8R0.20 CCC(CC)N(C)CC 2230a_100000732065_200000210301 [1,1,0,0,0,0|2,0,0]=4 3094 B8R0.20 CCC(CC)N(C)CC 2230a_100000737045_100000210202 [1,1,0,0,0,0|2,0,0]=4 3095 B8R0.20 CCC(CC)N(C)CC 269982a_100000225621_100000210505 [1,1,0,0,0,0|2,0,0]=4 3096 B8R0.20 CCC(CC)N(C)CC 269982a_100000732065_200000210301 [1,1,0,0,0,0|2,0,0]=4 3097 B8R0.20 CCC(CC)N(C)CC 269982a_100000737045_100000204670 [1,1,0,0,0,0|2,0,0]=4 3098 B8R0.20 CCC(CC)N([13CH3])CC 2230a_100000732065_200025704644 [1,1,0,0,0,0|2,0,0]=4 3099 B8R0.20 CCC(CC)N([13CH3])CC 269982a_100000732065_200025704644 [1,1,0,0,0,0|2,0,0]=4 3100 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [1,1,0,0,0,0|0,0,0]=2 3101 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [1,1,0,0,0,0|0,0,0]=2 3102 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [1,1,0,0,0,0|0,0,0]=2 3103 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [1,1,0,0,0,0|1,0,0]=3 3104 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [1,1,0,0,0,0|1,0,0]=3 3105 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [1,1,0,0,0,0|1,0,0]=3 3106 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [1,1,0,0,0,0|1,0,0]=3 3107 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [1,1,0,0,0,0|1,0,0]=3 3108 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [1,1,0,0,0,0|0,0,0]=2 3109 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [1,1,0,0,0,0|0,0,0]=2 3110 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [1,1,0,0,0,0|0,0,0]=2 3111 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [1,1,0,0,0,0|0,0,0]=2 3112 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [1,1,0,0,0,0|0,0,0]=2 3113 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [1,1,0,0,0,0|0,0,0]=2 3114 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [1,1,0,0,0,0|0,0,0]=2 3115 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [1,1,0,0,0,0|0,0,0]=2 3116 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [1,1,0,0,0,0|0,0,0]=2 3117 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [1,1,0,0,0,0|2,0,0]=4 3118 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [1,1,0,0,0,0|2,0,0]=4 3119 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [1,1,0,0,0,0|2,0,0]=4 3120 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [1,1,0,0,0,0|2,0,0]=4 3121 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [1,1,0,0,0,0|1,0,0]=3 3122 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [1,1,0,0,0,0|1,0,0]=3 3123 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [1,1,0,0,0,0|1,0,0]=3 3124 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [1,1,0,0,0,0|1,0,0]=3 3125 B8R0.20 CNC(=O)C(OC)OC 11a_106832991635_100000046285 [1,1,0,0,0,0|2,0,0]=4 3126 B8R0.20 CNC(=O)C(OC)OC 240690a_100102657272_100000046285 [1,1,0,0,0,0|2,0,0]=4 3127 B8R0.20 CNC(=O)C(OC)OC 527a_100102657272_100000046285 [1,1,0,0,0,0|2,0,0]=4 3128 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [1,1,0,0,0,0|1,0,1]=4 3129 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [1,1,0,0,0,0|1,0,0]=3 3130 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [1,1,0,0,0,0|1,0,0]=3 3131 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [1,1,0,0,0,0|1,0,1]=4 3132 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [1,1,0,0,0,0|1,0,1]=4 3133 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [1,1,0,0,0,0|1,0,1]=4 3134 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [1,1,0,0,0,0|1,0,1]=4 3135 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [1,1,0,0,0,0|1,0,1]=4 3136 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [1,1,0,0,0,0|1,0,0]=3 3137 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [1,1,0,0,0,0|1,0,0]=3 3138 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [1,1,0,0,0,0|1,0,0]=3 3139 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [1,1,0,0,0,0|1,0,0]=3 3140 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [1,1,0,0,0,0|1,0,0]=3 3141 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [1,1,0,0,0,0|1,0,0]=3 3142 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [1,1,0,0,0,0|1,0,0]=3 3143 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [1,1,0,0,0,0|1,0,0]=3 3144 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [1,1,0,0,0,0|1,0,0]=3 3145 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [1,1,0,0,0,0|1,0,0]=3 3146 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [1,1,0,0,0,0|1,0,0]=3 3147 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [1,1,0,0,0,0|1,0,0]=3 3148 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [1,1,0,0,0,0|1,0,0]=3 3149 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [1,1,0,0,0,0|1,0,0]=3 3150 B8R0.20 COC(OC)C(=O)CF 1458a_100000046285_100015361967 [1,1,0,0,0,0|2,0,0]=4 3151 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,1,0,0,0,1|1,0,1]=4 3152 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,1,0,0,0,1|1,0,1]=4 3153 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,1,0,0,0,1|1,0,1]=4 3154 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,1,0,0,0,1|1,0,1]=4 3155 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,1,0,0,0,1|1,0,1]=4 3156 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,1,0,0,0,1|1,0,1]=4 3157 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,1,0,0,0,1|1,0,1]=4 3158 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,1,0,0,0,1|1,0,1]=4 3159 B10R0.2 CC=CC(=O)NC(C)CCC 11a_100000741246_100000210699 [0,1,0,0,0,1|1,0,1]=4 3160 B10R0.2 CC=CC(=O)NC(C)CCC 1626a_100000741246_100000210699 [0,1,0,0,0,1|1,0,1]=4 3161 B10R0.2 CC=CC(=O)NC(C)CCC 240690a_100000741246_100000210699 [0,1,0,0,0,1|1,0,1]=4 3162 B10R0.2 CC=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210699 [0,1,0,0,0,1|1,0,1]=4 3163 B10R0.2 CC=CC(=O)N[C@H](C)COC 11a_100000764878_100000210699 [0,1,0,0,0,1|1,0,1]=4 3164 B10R0.2 CC=CC(=O)N[C@H](C)COC 1626a_100000764878_100000210699 [0,1,0,0,0,1|1,0,1]=4 3165 B10R0.2 CC=CC(=O)N[C@H](C)COC 240690a_100000764878_100000210699 [0,1,0,0,0,1|1,0,1]=4 3166 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,1,0,0,0,1|1,0,1]=4 3167 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,1,0,0,0,1|1,0,1]=4 3168 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,1,0,0,0,1|1,0,1]=4 3169 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,1,0,0,0,1|1,0,1]=4 3170 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,1,0,0,0,1|1,0,1]=4 3171 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,1,0,0,0,1|1,0,0]=3 3172 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,1,0,0,0,1|1,0,0]=3 3173 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,1,0,0,0,1|1,0,0]=3 3174 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,1,0,0,0,1|2,0,0]=4 3175 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,1,0,0,0,1|2,0,0]=4 3176 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,1,0,0,0,1|2,0,0]=4 3177 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,1,0,0,0,1|2,0,0]=4 3178 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,1,0,0,0,1|1,0,0]=3 3179 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,1,0,0,0,1|1,0,0]=3 3180 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,1,0,0,0,1|1,0,0]=3 3181 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,1,0,0,0,1|1,0,0]=3 3182 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000211992 [0,1,0,0,0,1|1,0,1]=4 3183 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000211992 [0,1,0,0,0,1|1,0,1]=4 3184 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000211992 [0,1,0,0,0,1|1,0,1]=4 3185 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000211992 [0,1,0,0,0,1|1,0,1]=4 3186 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,1,0,0,0,1|1,0,0]=3 3187 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,1,0,0,0,1|1,0,0]=3 3188 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,1,0,0,0,1|1,0,0]=3 3189 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,1,0,0,0,1|1,0,0]=3 3190 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,1,0,0,0,1|1,0,0]=3 3191 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,1,0,0,0,1|1,0,0]=3 3192 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,1,0,0,0,1|2,0,0]=4 3193 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,1,0,0,0,1|2,0,0]=4 3194 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,1,0,0,0,1|2,0,0]=4 3195 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,1,0,0,0,1|2,0,0]=4 3196 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,1,0,0,0,1|2,0,0]=4 3197 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,1,0,0,0,1|1,0,0]=3 3198 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,1,0,0,0,1|1,0,0]=3 3199 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,1,0,0,0,1|1,0,0]=3 3200 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,1,0,0,0,1|2,0,0]=4 3201 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,1,0,0,0,1|2,0,0]=4 3202 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,1,0,0,0,1|2,0,0]=4 3203 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,1,0,0,0,1|2,0,0]=4 3204 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,1,0,0,0,1|2,0,0]=4 3205 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,1,0,0,0,1|2,0,0]=4 3206 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,1,0,0,0,1|2,0,0]=4 3207 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,1,0,0,0,1|2,0,0]=4 3208 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,1,0,0,0,1|2,0,0]=4 3209 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,1,0,0,0,1|2,0,0]=4 3210 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,1,0,0,0,1|1,0,0]=3 3211 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,1,0,0,0,1|1,0,0]=3 3212 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,1,0,0,0,1|1,0,0]=3 3213 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,1,0,0,0,1|1,0,0]=3 3214 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,1,0,0,0,1|1,0,0]=3 3215 B10R0.2 CCCC(C)NC(=O)NNC 273464a_100000741246_100016993582 [0,1,0,0,0,1|2,0,0]=4 3216 B10R0.2 CCCC(C)NC(=O)NNC 512a_100000741246_100016993582 [0,1,0,0,0,1|2,0,0]=4 3217 B10R0.2 CCCC(C)NC(=O)NNC 512a_100016993582_100000741246 [0,1,0,0,0,1|2,0,0]=4 3218 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,1,0,0,0,1|2,0,0]=4 3219 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,1,0,0,0,1|2,0,0]=4 3220 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,1,0,0,0,1|2,0,0]=4 3221 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,1,0,0,0,1|2,0,0]=4 3222 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,1,0,0,0,1|1,0,0]=3 3223 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,1,0,0,0,1|1,0,0]=3 3224 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,1,0,0,0,1|1,0,0]=3 3225 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,1,0,0,0,1|1,0,0]=3 3226 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,1,0,0,0,1|1,0,0]=3 3227 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,1,0,0,0,1|1,0,0]=3 3228 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,1,0,0,0,1|1,0,0]=3 3229 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,1,0,0,0,1|1,0,1]=4 3230 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,1,0,0,0,1|1,0,0]=3 3231 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,1,0,0,0,1|1,0,0]=3 3232 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,1,0,0,0,1|1,0,0]=3 3233 B10R0.2 CCNC(=O)CN(C)CCF 2230a_100000741943_100011217306 [0,1,0,0,0,1|2,0,0]=4 3234 B10R0.2 CCNC(=O)CN(C)CCF 269982a_100000741943_100011217306 [0,1,0,0,0,1|2,0,0]=4 3235 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000210263_100000183381 [0,1,0,0,0,1|2,0,0]=4 3236 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000741943_100000211926 [0,1,0,0,0,1|2,0,0]=4 3237 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000210263_100000183381 [0,1,0,0,0,1|2,0,0]=4 3238 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000741943_100000211926 [0,1,0,0,0,1|2,0,0]=4 3239 B10R0.2 CCNC(=O)CN(C)COC 2230a_100000741943_100000766300 [0,1,0,0,0,1|2,0,0]=4 3240 B10R0.2 CCNC(=O)CN(C)COC 269982a_100000741943_100000766300 [0,1,0,0,0,1|2,0,0]=4 3241 B10R0.2 CCNC(=O)CN(C)CSC 2230a_100000741943_100011218213 [0,1,0,0,0,1|2,0,0]=4 3242 B10R0.2 CCNC(=O)CN(C)CSC 269982a_100000741943_100011218213 [0,1,0,0,0,1|2,0,0]=4 3243 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 2708a_100015525214_100016994482 [0,1,0,0,0,1|1,0,1]=4 3244 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 2708a_100016994482_100015525214 [0,1,0,0,0,1|1,0,1]=4 3245 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 273464a_100015525214_100016994482 [0,1,0,0,0,1|1,0,1]=4 3246 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 273464a_100016994482_100015525214 [0,1,0,0,0,1|1,0,1]=4 3247 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 512a_100015525214_100016994482 [0,1,0,0,0,1|1,0,1]=4 3248 B10R0.2 CCNC(=O)N[C@@H](C)CC#N 512a_100016994482_100015525214 [0,1,0,0,0,1|1,0,1]=4 3249 B10R0.2 CCNC(=O)N[C@H](C)CCO 2708a_100015525214_100000706166 [0,1,0,0,0,1|1,0,0]=3 3250 B10R0.2 CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100015525214 [0,1,0,0,0,1|1,0,0]=3 3251 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100000706166_100015525214 [0,1,0,0,0,1|1,0,0]=3 3252 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100015525214_100000706166 [0,1,0,0,0,1|1,0,0]=3 3253 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100000764878_100015525214 [0,1,0,0,0,1|1,0,0]=3 3254 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100015525214_100000764878 [0,1,0,0,0,1|1,0,0]=3 3255 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100000764878_100015525214 [0,1,0,0,0,1|1,0,0]=3 3256 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100015525214_100000764878 [0,1,0,0,0,1|1,0,0]=3 3257 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100000764878_100015525214 [0,1,0,0,0,1|1,0,0]=3 3258 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100015525214_100000764878 [0,1,0,0,0,1|1,0,0]=3 3259 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,1,0,0,0,1|0,0,0]=2 3260 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,1,0,0,0,1|0,0,1]=3 3261 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,1,0,0,0,1|0,0,1]=3 3262 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,1,0,0,0,1|0,0,1]=3 3263 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,1,0,0,0,1|0,0,1]=3 3264 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,1,0,0,0,1|0,0,1]=3 3265 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,1,0,0,0,1|0,0,1]=3 3266 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,1,0,0,0,1|0,0,1]=3 3267 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,1,0,0,0,1|0,0,1]=3 3268 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,1,0,0,0,1|1,0,1]=4 3269 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,1,0,0,0,1|1,0,1]=4 3270 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,1,0,0,0,1|1,0,1]=4 3271 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,1,0,0,0,1|1,0,1]=4 3272 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,1,0,0,0,1|1,0,1]=4 3273 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,1,0,0,0,1|1,0,1]=4 3274 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,1,0,0,0,1|1,0,1]=4 3275 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,1,0,0,0,1|1,0,1]=4 3276 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,1,0,0,0,1|1,0,1]=4 3277 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,1,0,0,0,1|0,0,0]=2 3278 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,1,0,0,0,1|0,0,0]=2 3279 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,1,0,0,0,1|1,0,0]=3 3280 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,1,0,0,0,1|1,0,0]=3 3281 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,1,0,0,0,1|1,0,1]=4 3282 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,1,0,0,0,1|1,0,1]=4 3283 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,1,0,0,0,1|1,0,1]=4 3284 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,1,0,0,0,1|1,0,0]=3 3285 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,1,0,0,0,1|1,0,0]=3 3286 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,1,0,0,0,1|1,0,0]=3 3287 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,1,0,0,0,1|1,0,0]=3 3288 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,1,0,0,0,1|1,0,0]=3 3289 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,1,0,0,0,1|1,0,0]=3 3290 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,1,0,0,0,1|0,0,0]=2 3291 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,1,0,0,0,1|1,0,0]=3 3292 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,1,0,0,0,1|1,0,0]=3 3293 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,1,0,0,0,1|1,0,0]=3 3294 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,1,0,0,0,1|1,0,0]=3 3295 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,1,0,0,0,1|1,0,0]=3 3296 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,1,0,0,0,1|1,0,0]=3 3297 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,1,0,0,0,1|1,0,0]=3 3298 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,1,0,0,0,1|1,0,0]=3 3299 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,1,0,0,0,1|1,0,1]=4 3300 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,1,0,0,0,1|1,0,1]=4 3301 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,1,0,0,0,1|1,0,1]=4 3302 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,1,0,0,0,1|0,0,0]=2 3303 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,1,0,0,0,1|0,0,0]=2 3304 B10R0.2 CCOC(=O)OC(C)SCF 62a_100000036008_100015361967 [0,1,0,0,0,1|1,0,0]=3 3305 B10R0.2 CCOC(=O)OC(C)SCF 62a_100015361967_100000036008 [0,1,0,0,0,1|1,0,0]=3 3306 B10R0.2 CCOC(C)O[C@H](C)COC 34a_200015424329_200000210301 [0,1,0,0,0,1|1,0,1]=4 3307 B10R0.2 CCOC(C)O[C@H](C)COC 7a_200015424329_200000210301 [0,1,0,0,0,1|1,0,1]=4 3308 B10R0.2 CCOC(C)O[C@H](C)CO[13CH3] 34a_200015424329_200025704644 [0,1,0,0,0,1|1,0,1]=4 3309 B10R0.2 CCOC(C)O[C@H](C)CO[13CH3] 7a_200015424329_200025704644 [0,1,0,0,0,1|1,0,1]=4 3310 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,1,0,0,0,1|2,0,0]=4 3311 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,1,0,0,0,1|2,0,0]=4 3312 B10R0.2 CCSC(C)CC(=O)NNC 22a_100016993582_200011311441 [0,1,0,0,0,1|2,0,0]=4 3313 B10R0.2 CNNC(=O)N[C@H](C)CCO 273464a_100000706166_100016993582 [0,1,0,0,0,1|2,0,0]=4 3314 B10R0.2 CNNC(=O)N[C@H](C)CCO 512a_100000706166_100016993582 [0,1,0,0,0,1|2,0,0]=4 3315 B10R0.2 CNNC(=O)N[C@H](C)CCO 512a_100016993582_100000706166 [0,1,0,0,0,1|2,0,0]=4 3316 B10R0.2 CNNC(=O)N[C@H](C)COC 273464a_100000764878_100016993582 [0,1,0,0,0,1|2,0,0]=4 3317 B10R0.2 CNNC(=O)N[C@H](C)COC 512a_100000764878_100016993582 [0,1,0,0,0,1|2,0,0]=4 3318 B10R0.2 CNNC(=O)N[C@H](C)COC 512a_100016993582_100000764878 [0,1,0,0,0,1|2,0,0]=4 3319 B10R0.2 COCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210968 [0,1,0,0,0,1|2,0,0]=4 3320 B10R0.2 COCC(=O)N[C@H](C)CCO 527a_100000706166_100000210968 [0,1,0,0,0,1|2,0,0]=4 3321 B10R0.2 COCC(=O)N[C@H](C)COC 11a_100000764878_100000210968 [0,1,0,0,0,1|2,0,0]=4 3322 B10R0.2 COCC(=O)N[C@H](C)COC 1626a_100000764878_100000210968 [0,1,0,0,0,1|2,0,0]=4 3323 B10R0.2 COCC(=O)N[C@H](C)COC 240690a_100000764878_100000210968 [0,1,0,0,0,1|2,0,0]=4 3324 B10R0.2 COCC(=O)N[C@H](C)COC 527a_100000764878_100000210968 [0,1,0,0,0,1|2,0,0]=4 3325 B10R0.2 COC[C@@H](C)NC(=O)CCO 240690a_100000764878_100011216618 [0,1,0,0,0,1|2,0,0]=4 3326 B10R0.2 COC[C@@H](C)NC(=O)CSC 11a_100000764878_100000184570 [0,1,0,0,0,1|2,0,0]=4 3327 B10R0.2 COC[C@@H](C)NC(=O)CSC 1626a_100000764878_100000184570 [0,1,0,0,0,1|2,0,0]=4 3328 B10R0.2 COC[C@@H](C)NC(=O)CSC 240690a_100000764878_100000184570 [0,1,0,0,0,1|2,0,0]=4 3329 B10R0.2 COC[C@@H](C)NC(=O)CSC 527a_100000764878_100000184570 [0,1,0,0,0,1|2,0,0]=4 3330 B10R0.2 CSCC(=O)N[C@H](C)CCO 240690a_100000706166_100000184570 [0,1,0,0,0,1|2,0,0]=4 3331 B10R0.2 CSCC(=O)N[C@H](C)CCO 527a_100000706166_100000184570 [0,1,0,0,0,1|2,0,0]=4 3332 B10R0.2 C[C@H](CCO)NC(=O)CCO 240690a_100000706166_100011216618 [0,1,0,0,0,1|2,0,0]=4 3333 B10R0.7 CC=CC(=O)NC(C)(C)CC 11a_100000211385_100000210699 [0,1,0,0,0,1|1,0,1]=4 3334 B10R0.7 CC=CC(=O)NC(C)(C)CC 1626a_100000211385_100000210699 [0,1,0,0,0,1|1,0,1]=4 3335 B10R0.7 CC=CC(=O)NC(C)(C)CC 240690a_100000211385_100000210699 [0,1,0,0,0,1|1,0,1]=4 3336 B10R0.7 CCC(C)(C)CC(=O)CCF 1458a_200000763500_100011217306 [0,1,0,0,0,1|2,0,0]=4 3337 B10R0.7 CCC(C)(C)CC(=O)CCO 1458a_200000763500_100000211926 [0,1,0,0,0,1|2,0,0]=4 3338 B10R0.7 CCC(C)(C)CC(=O)NNC 22a_100016993582_200000763500 [0,1,0,0,0,1|2,0,0]=4 3339 B10R0.7 CCC(C)(C)NC(=O)CCO 240690a_100000211385_100011216618 [0,1,0,0,0,1|2,0,0]=4 3340 B10R0.7 CCC(C)(C)NC(=O)CNC 2230a_106832991635_100000230344 [0,1,0,0,0,1|2,0,0]=4 3341 B10R0.7 CCC(C)(C)NC(=O)CNC 34a_100102657272_100000230344 [0,1,0,0,0,1|2,0,0]=4 3342 B10R0.7 CCC(C)(C)NC(=O)CNC 7a_106832991635_100000230344 [0,1,0,0,0,1|2,0,0]=4 3343 B10R0.7 CCC(C)(C)NC(=O)COC 11a_100000211385_100000210968 [0,1,0,0,0,1|2,0,0]=4 3344 B10R0.7 CCC(C)(C)NC(=O)COC 1626a_100000211385_100000210968 [0,1,0,0,0,1|2,0,0]=4 3345 B10R0.7 CCC(C)(C)NC(=O)COC 240690a_100000211385_100000210968 [0,1,0,0,0,1|2,0,0]=4 3346 B10R0.7 CCC(C)(C)NC(=O)COC 34a_100138415774_100000230344 [0,1,0,0,0,1|2,0,0]=4 3347 B10R0.7 CCC(C)(C)NC(=O)COC 527a_100000211385_100000210968 [0,1,0,0,0,1|2,0,0]=4 3348 B10R0.7 CCC(C)(C)NC(=O)CSC 11a_100000211385_100000184570 [0,1,0,0,0,1|2,0,0]=4 3349 B10R0.7 CCC(C)(C)NC(=O)CSC 1626a_100000211385_100000184570 [0,1,0,0,0,1|2,0,0]=4 3350 B10R0.7 CCC(C)(C)NC(=O)CSC 240690a_100000211385_100000184570 [0,1,0,0,0,1|2,0,0]=4 3351 B10R0.7 CCC(C)(C)NC(=O)CSC 527a_100000211385_100000184570 [0,1,0,0,0,1|2,0,0]=4 3352 B10R0.7 CCC(C)(C)NC(=O)CSC 62a_100000230344_200000210301 [0,1,0,0,0,1|2,0,0]=4 3353 B10R0.7 CCC(C)(C)NC(=O)CSC 62a_200000210301_100000230344 [0,1,0,0,0,1|2,0,0]=4 3354 B10R0.7 CCC(C)(C)NC(=O)CS[13CH3] 62a_100000230344_200025704644 [0,1,0,0,0,1|2,0,0]=4 3355 B10R0.7 CCC(C)(C)NC(=O)CS[13CH3] 62a_200025704644_100000230344 [0,1,0,0,0,1|2,0,0]=4 3356 B10R0.7 CCC(C)(C)NC(=O)NNC 273464a_100000211385_100016993582 [0,1,0,0,0,1|2,0,0]=4 3357 B10R0.7 CCC(C)(C)NC(=O)NNC 512a_100000211385_100016993582 [0,1,0,0,0,1|2,0,0]=4 3358 B10R0.7 CCC(C)(C)NC(=O)NNC 512a_100016993582_100000211385 [0,1,0,0,0,1|2,0,0]=4 3359 B10R0.7 CCC(C)(O)CC(=O)CCF 1458a_200011219800_100011217306 [0,1,0,0,0,1|2,0,0]=4 3360 B10R0.7 CCC(C)(O)CC(=O)CCO 1458a_200011219800_100000211926 [0,1,0,0,0,1|2,0,0]=4 3361 B10R0.7 CCC(C)(O)CC(=O)NNC 22a_100016993582_200011219800 [0,1,0,0,0,1|2,0,0]=4 3362 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [0,1,0,0,0,1|1,0,0]=3 3363 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [0,1,0,0,0,1|1,0,0]=3 3364 B10R0.7 CCCC(=O)NC(C)(C)CC 11a_100000211385_100000211992 [0,1,0,0,0,1|1,0,0]=3 3365 B10R0.7 CCCC(=O)NC(C)(C)CC 1626a_100000211385_100000211992 [0,1,0,0,0,1|1,0,0]=3 3366 B10R0.7 CCCC(=O)NC(C)(C)CC 240690a_100000211385_100000211992 [0,1,0,0,0,1|1,0,0]=3 3367 B10R0.7 CCCC(=O)NC(C)(C)CC 527a_100000211385_100000211992 [0,1,0,0,0,1|1,0,0]=3 3368 B10R0.7 CCCC(=O)NC(C)(C)CO 240690a_100000210608_100000211992 [0,1,0,0,0,1|2,0,0]=4 3369 B10R0.7 CCCC(=O)NC(C)(C)CO 527a_100020618417_100000211992 [0,1,0,0,0,1|2,0,0]=4 3370 B10R0.7 CCNC(=O)CC(C)(C)CC 11a_100015525214_200000763500 [0,1,0,0,0,1|1,0,0]=3 3371 B10R0.7 CCNC(=O)CC(C)(C)CC 240690a_100015525214_200000763500 [0,1,0,0,0,1|1,0,0]=3 3372 B10R0.7 CCNC(=O)CC(C)(C)CC 527a_100015525214_200000763500 [0,1,0,0,0,1|1,0,0]=3 3373 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [0,1,0,0,0,1|1,0,0]=3 3374 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [0,1,0,0,0,1|1,0,0]=3 3375 B10R0.7 CCNC(=O)NC(C)(C)CC 2708a_100015525214_100000211385 [0,1,0,0,0,1|1,0,0]=3 3376 B10R0.7 CCNC(=O)NC(C)(C)CC 273464a_100000211385_100015525214 [0,1,0,0,0,1|1,0,0]=3 3377 B10R0.7 CCNC(=O)NC(C)(C)CC 273464a_100015525214_100000211385 [0,1,0,0,0,1|1,0,0]=3 3378 B10R0.7 CCNC(=O)NC(C)(C)CC 512a_100000211385_100015525214 [0,1,0,0,0,1|1,0,0]=3 3379 B10R0.7 CCNC(=O)NC(C)(C)CC 512a_100015525214_100000211385 [0,1,0,0,0,1|1,0,0]=3 3380 B10R0.7 CCNC(=O)NC(C)(C)CO 2708a_100015525214_100000210608 [0,1,0,0,0,1|2,0,0]=4 3381 B10R0.7 CCNC(=O)NC(C)(C)CO 273464a_100000210608_100015525214 [0,1,0,0,0,1|2,0,0]=4 3382 B10R0.7 CCNC(=O)NC(C)(C)CO 273464a_100015525214_100000210608 [0,1,0,0,0,1|2,0,0]=4 3383 B10R0.7 CCNC(=O)NC(C)(C)CO 512a_100000210608_100015525214 [0,1,0,0,0,1|2,0,0]=4 3384 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [0,1,0,0,0,1|1,0,0]=3 3385 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [0,1,0,0,0,1|1,0,0]=3 3386 B10R0.18 C#CC(C)NC(=O)COCC 11a_100000707721_100000211967 [0,1,0,0,0,1|0,0,2]=4 3387 B10R0.18 C#CC(C)NC(=O)COCC 1626a_100000707721_100000211967 [0,1,0,0,0,1|0,0,2]=4 3388 B10R0.18 C#CC(C)NC(=O)COCC 240690a_100000707721_100000211967 [0,1,0,0,0,1|0,0,2]=4 3389 B10R0.18 C#CC(C)NC(=O)COCC 527a_100000707721_100000211967 [0,1,0,0,0,1|0,0,2]=4 3390 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000692101_100000748023 [0,1,0,0,0,1|1,0,1]=4 3391 B10R0.18 C#CCCC(=O)CC(C)CC 1458a_100000708755_100000753159 [0,1,0,0,0,1|1,0,1]=4 3392 B10R0.18 C#CCCC(=O)C[C@@H](C)CC 1458a_100000692101_100009816398 [0,1,0,0,0,1|1,0,1]=4 3393 B10R0.18 C#CCCC(=O)NC(C)CC 11a_100000209981_100000692101 [0,1,0,0,0,1|1,0,1]=4 3394 B10R0.18 C#CCCC(=O)NC(C)CC 1626a_100000209981_100000692101 [0,1,0,0,0,1|1,0,1]=4 3395 B10R0.18 C#CCCC(=O)NC(C)CC 240690a_100000209981_100000692101 [0,1,0,0,0,1|1,0,1]=4 3396 B10R0.18 C#CCCC(=O)NC(C)CC 527a_100000209981_100000692101 [0,1,0,0,0,1|1,0,1]=4 3397 B10R0.18 C#CCNC(=O)CC(C)CC 11a_100000212058_100000708755 [0,1,0,0,0,1|1,0,1]=4 3398 B10R0.18 C#CCNC(=O)CC(C)CC 1626a_100000212058_100000708755 [0,1,0,0,0,1|1,0,1]=4 3399 B10R0.18 C#CCNC(=O)CC(C)CC 240690a_100000212058_100000708755 [0,1,0,0,0,1|1,0,1]=4 3400 B10R0.18 C#CCNC(=O)CC(C)CC 527a_100000212058_100000708755 [0,1,0,0,0,1|1,0,1]=4 3401 B10R0.18 C#CCNC(=O)NC(C)CC 2708a_100000209981_100000212058 [0,1,0,0,0,1|1,0,1]=4 3402 B10R0.18 C#CCNC(=O)NC(C)CC 2708a_100000212058_100000209981 [0,1,0,0,0,1|1,0,1]=4 3403 B10R0.18 C#CCNC(=O)NC(C)CC 273464a_100000209981_100000212058 [0,1,0,0,0,1|1,0,1]=4 3404 B10R0.18 C#CCNC(=O)NC(C)CC 273464a_100000212058_100000209981 [0,1,0,0,0,1|1,0,1]=4 3405 B10R0.18 C#CCNC(=O)NC(C)CC 512a_100000209981_100000212058 [0,1,0,0,0,1|1,0,1]=4 3406 B10R0.18 C#CCNC(=O)NC(C)CC 512a_100000212058_100000209981 [0,1,0,0,0,1|1,0,1]=4 3407 B10R0.18 C/C=C/CC(=O)CC(C)CC 1458a_100000708755_100102629194 [0,1,0,0,0,1|1,0,1]=4 3408 B10R0.18 C=C(CN(C)CC)OCOC 269982a_100000225621_100000042856 [0,1,0,0,0,1|2,0,0]=4 3409 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000708755_100000754431 [0,1,0,0,0,1|1,0,1]=4 3410 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000749702_100000748023 [0,1,0,0,0,1|1,0,1]=4 3411 B10R0.18 C=CCCC(=O)C[C@@H](C)CC 1458a_100000749702_100009816398 [0,1,0,0,0,1|1,0,1]=4 3412 B10R0.18 C=CCCC(=O)NC(C)CC 11a_100000209981_100000749702 [0,1,0,0,0,1|1,0,1]=4 3413 B10R0.18 C=CCCC(=O)NC(C)CC 1626a_100000209981_100000749702 [0,1,0,0,0,1|1,0,1]=4 3414 B10R0.18 C=CCCC(=O)NC(C)CC 240690a_100000209981_100000749702 [0,1,0,0,0,1|1,0,1]=4 3415 B10R0.18 C=CCCC(=O)NC(C)CC 527a_100000209981_100000749702 [0,1,0,0,0,1|1,0,1]=4 3416 B10R0.18 C=CCNC(=O)CC(C)CC 1626a_100020586998_100000708755 [0,1,0,0,0,1|1,0,1]=4 3417 B10R0.18 C=CCNC(=O)CC(C)CC 240690a_100020586998_100000708755 [0,1,0,0,0,1|1,0,1]=4 3418 B10R0.18 C=CCNC(=O)CC(C)CC 527a_100020586998_100000708755 [0,1,0,0,0,1|1,0,1]=4 3419 B10R0.18 C=CCNC(=O)NC(C)CC 2708a_100000209981_100020586998 [0,1,0,0,0,1|1,0,1]=4 3420 B10R0.18 C=CCNC(=O)NC(C)CC 273464a_100000209981_100020586998 [0,1,0,0,0,1|1,0,1]=4 3421 B10R0.18 C=CCNC(=O)NC(C)CC 273464a_100020586998_100000209981 [0,1,0,0,0,1|1,0,1]=4 3422 B10R0.18 C=CCNC(=O)NC(C)CC 512a_100000209981_100020586998 [0,1,0,0,0,1|1,0,1]=4 3423 B10R0.18 C=CCNC(=O)NC(C)CC 512a_100020586998_100000209981 [0,1,0,0,0,1|1,0,1]=4 3424 B10R0.18 C=CCOC(=O)CN(C)CC 2230a_100000225621_100000033060 [0,1,0,0,0,1|1,0,1]=4 3425 B10R0.18 C=CCOC(=O)CN(C)CC 269982a_100000225621_100000033060 [0,1,0,0,0,1|1,0,1]=4 3426 B10R0.18 CC#CCC(=O)CC(C)CC 1458a_100000708755_100000748600 [0,1,0,0,0,1|1,0,1]=4 3427 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100000708755_100000070051 [0,1,0,0,0,1|1,0,1]=4 3428 B10R0.18 CC=CCC(=O)CC(C)CC 1458a_100121576822_100000748023 [0,1,0,0,0,1|1,0,1]=4 3429 B10R0.18 CC=CCC(=O)C[C@@H](C)CC 1458a_100121576822_100009816398 [0,1,0,0,0,1|1,0,1]=4 3430 B10R0.18 CC=CCC(=O)NC(C)CC 11a_100000209981_100121576822 [0,1,0,0,0,1|1,0,1]=4 3431 B10R0.18 CC=CCC(=O)NC(C)CC 1626a_100000209981_100121576822 [0,1,0,0,0,1|1,0,1]=4 3432 B10R0.18 CC=CCC(=O)NC(C)CC 240690a_100000209981_100121576822 [0,1,0,0,0,1|1,0,1]=4 3433 B10R0.18 CC=CCC(=O)NC(C)CC 527a_100000209981_100121576822 [0,1,0,0,0,1|1,0,1]=4 3434 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [0,1,0,0,0,1|1,0,0]=3 3435 B10R0.18 CCC#CC(=O)CC(O)CC 1458a_100011827653_100011218378 [0,1,0,0,0,1|2,0,0]=4 3436 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [0,1,0,0,0,1|1,0,0]=3 3437 B10R0.18 CCC#CC(=O)C[C@@H](C)CO 1458a_100011827653_100000059175 [0,1,0,0,0,1|2,0,0]=4 3438 B10R0.18 CCC(=CC(=O)CCCF)C 1458a_100020758463_100011934791 [0,1,0,0,0,1|1,0,1]=4 3439 B10R0.18 CCC(=CC(=O)CCCO)C 1458a_100020758463_100011215043 [0,1,0,0,0,1|1,0,1]=4 3440 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [0,1,0,0,0,1|1,0,1]=4 3441 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,1,0,0,0,1|1,0,1]=4 3442 B10R0.18 CCC(=CC(=O)NCCF)C 11a_100000724931_100020758463 [0,1,0,0,0,1|1,0,1]=4 3443 B10R0.18 CCC(=CC(=O)NCCF)C 1626a_100000724931_100020758463 [0,1,0,0,0,1|1,0,1]=4 3444 B10R0.18 CCC(=CC(=O)NCCF)C 240690a_100000724931_100020758463 [0,1,0,0,0,1|1,0,1]=4 3445 B10R0.18 CCC(=CC(=O)NCCO)C 240690a_100000210304_100020758463 [0,1,0,0,0,1|1,0,1]=4 3446 B10R0.18 CCC(C)CC(=O)C#CCO 1458a_100000049017_100000748023 [0,1,0,0,0,1|1,0,1]=4 3447 B10R0.18 CCC(C)CC(=O)C=COC 1458a_100016268678_100000748023 [0,1,0,0,0,1|1,0,1]=4 3448 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100000708755_100011215226 [0,1,0,0,0,1|1,0,1]=4 3449 B10R0.18 CCC(C)CC(=O)CCC#N 1458a_100011934036_100000748023 [0,1,0,0,0,1|1,0,1]=4 3450 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [0,1,0,0,0,1|1,0,0]=3 3451 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,1,0,0,0,1|1,0,0]=3 3452 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [0,1,0,0,0,1|1,0,0]=3 3453 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [0,1,0,0,0,1|1,0,0]=3 3454 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [0,1,0,0,0,1|1,0,0]=3 3455 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [0,1,0,0,0,1|1,0,0]=3 3456 B10R0.18 CCC(C)CC(=O)NCC#N 1626a_100000734998_100000708755 [0,1,0,0,0,1|1,0,1]=4 3457 B10R0.18 CCC(C)CC(=O)NCC#N 527a_100000734998_100000708755 [0,1,0,0,0,1|1,0,1]=4 3458 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [0,1,0,0,0,1|1,0,0]=3 3459 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [0,1,0,0,0,1|1,0,0]=3 3460 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [0,1,0,0,0,1|1,0,0]=3 3461 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [0,1,0,0,0,1|1,0,0]=3 3462 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [0,1,0,0,0,1|1,0,0]=3 3463 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [0,1,0,0,0,1|1,0,0]=3 3464 B10R0.18 CCC(C)NC(=O)C=COC 1626a_100000209981_100016268678 [0,1,0,0,0,1|1,0,1]=4 3465 B10R0.18 CCC(C)NC(=O)C=COC 240690a_100000209981_100016268678 [0,1,0,0,0,1|1,0,1]=4 3466 B10R0.18 CCC(C)NC(=O)CCC#N 11a_100000209981_100011934036 [0,1,0,0,0,1|1,0,1]=4 3467 B10R0.18 CCC(C)NC(=O)CCC#N 1626a_100000209981_100011934036 [0,1,0,0,0,1|1,0,1]=4 3468 B10R0.18 CCC(C)NC(=O)CCC#N 240690a_100000209981_100011934036 [0,1,0,0,0,1|1,0,1]=4 3469 B10R0.18 CCC(C)NC(=O)CCC#N 527a_100000209981_100011934036 [0,1,0,0,0,1|1,0,1]=4 3470 B10R0.18 CCC(C)NC(=O)CCOC 11a_100000209981_100000749529 [0,1,0,0,0,1|1,0,0]=3 3471 B10R0.18 CCC(C)NC(=O)CCOC 1626a_100000209981_100000749529 [0,1,0,0,0,1|1,0,0]=3 3472 B10R0.18 CCC(C)NC(=O)CCOC 240690a_100000209981_100000749529 [0,1,0,0,0,1|1,0,0]=3 3473 B10R0.18 CCC(C)NC(=O)CCOC 527a_100000209981_100000749529 [0,1,0,0,0,1|1,0,0]=3 3474 B10R0.18 CCC(C)NC(=O)CCSC 11a_100000209981_100000174002 [0,1,0,0,0,1|1,0,0]=3 3475 B10R0.18 CCC(C)NC(=O)CCSC 1626a_100000209981_100000174002 [0,1,0,0,0,1|1,0,0]=3 3476 B10R0.18 CCC(C)NC(=O)CCSC 240690a_100000209981_100000174002 [0,1,0,0,0,1|1,0,0]=3 3477 B10R0.18 CCC(C)NC(=O)CCSC 527a_100000209981_100000174002 [0,1,0,0,0,1|1,0,0]=3 3478 B10R0.18 CCC(C)NC(=O)CSCF 62a_100000182745_100015361967 [0,1,0,0,0,1|1,1,0]=4 3479 B10R0.18 CCC(C)NC(=O)CSCF 62a_100015361967_100000182745 [0,1,0,0,0,1|1,1,0]=4 3480 B10R0.18 CCC(C)NC(=O)NCC#N 2708a_100000734998_100000209981 [0,1,0,0,0,1|1,0,1]=4 3481 B10R0.18 CCC(C)NC(=O)NCC#N 273464a_100000209981_100000734998 [0,1,0,0,0,1|1,0,1]=4 3482 B10R0.18 CCC(C)NC(=O)NCC#N 273464a_100000734998_100000209981 [0,1,0,0,0,1|1,0,1]=4 3483 B10R0.18 CCC(C)NC(=O)NCC#N 512a_100000209981_100000734998 [0,1,0,0,0,1|1,0,1]=4 3484 B10R0.18 CCC(C)NC(=O)NCC#N 512a_100000734998_100000209981 [0,1,0,0,0,1|1,0,1]=4 3485 B10R0.18 CCC(C)NC(=O)NCCF 2708a_100000209981_100000724931 [0,1,0,0,0,1|1,0,0]=3 3486 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000209981_100000724931 [0,1,0,0,0,1|1,0,0]=3 3487 B10R0.18 CCC(C)NC(=O)NCCF 273464a_100000724931_100000209981 [0,1,0,0,0,1|1,0,0]=3 3488 B10R0.18 CCC(C)NC(=O)NCCF 512a_100000209981_100000724931 [0,1,0,0,0,1|1,0,0]=3 3489 B10R0.18 CCC(C)NC(=O)NCCO 2708a_100000209981_100000210304 [0,1,0,0,0,1|1,0,0]=3 3490 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000209981_100000210304 [0,1,0,0,0,1|1,0,0]=3 3491 B10R0.18 CCC(C)NC(=O)NCCO 273464a_100000210304_100000209981 [0,1,0,0,0,1|1,0,0]=3 3492 B10R0.18 CCC(C)NC(=O)NCCO 512a_100000209981_100000210304 [0,1,0,0,0,1|1,0,0]=3 3493 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,1,0,0,0,1|2,0,0]=4 3494 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,1,0,0,0,1|2,0,0]=4 3495 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,1,0,0,0,1|2,0,0]=4 3496 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,1,0,0,0,1|2,0,0]=4 3497 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,1,0,0,0,1|2,0,0]=4 3498 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,1,0,0,0,1|2,0,0]=4 3499 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [0,1,0,0,0,1|2,0,0]=4 3500 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [0,1,0,0,0,1|2,0,0]=4 3501 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [0,1,0,0,0,1|2,0,0]=4 3502 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [0,1,0,0,0,1|1,0,0]=3 3503 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [0,1,0,0,0,1|2,0,0]=4 3504 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [0,1,0,0,0,1|1,0,0]=3 3505 B10R0.18 CCC=CC(=O)C[C@@H](C)CO 1458a_100000212282_100000059175 [0,1,0,0,0,1|2,0,0]=4 3506 B10R0.18 CCC=CC(=O)NC(C)CC 11a_100000209981_100000212282 [0,1,0,0,0,1|1,0,0]=3 3507 B10R0.18 CCC=CC(=O)NC(C)CC 1626a_100000209981_100000212282 [0,1,0,0,0,1|1,0,0]=3 3508 B10R0.18 CCC=CC(=O)NC(C)CC 240690a_100000209981_100000212282 [0,1,0,0,0,1|1,0,0]=3 3509 B10R0.18 CCC=CC(=O)N[C@H](C)CF 11a_100102880703_100000212282 [0,1,0,0,0,1|2,0,0]=4 3510 B10R0.18 CCC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000212282 [0,1,0,0,0,1|2,0,0]=4 3511 B10R0.18 CCC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000212282 [0,1,0,0,0,1|2,0,0]=4 3512 B10R0.18 CCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000212282 [0,1,0,0,0,1|2,0,0]=4 3513 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,1,0,0,0,1|1,0,1]=4 3514 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,1,0,0,0,1|1,0,0]=3 3515 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,1,0,0,0,1|1,0,0]=3 3516 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,1,0,0,0,1|2,0,0]=4 3517 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,1,0,0,0,1|2,0,0]=4 3518 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,1,0,0,0,1|2,0,0]=4 3519 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,1,0,0,0,1|1,0,0]=3 3520 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,1,0,0,0,1|2,0,0]=4 3521 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [0,1,0,0,0,1|1,0,0]=3 3522 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [0,1,0,0,0,1|1,0,0]=3 3523 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [0,1,0,0,0,1|1,0,0]=3 3524 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [0,1,0,0,0,1|1,0,0]=3 3525 B10R0.18 CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210183 [0,1,0,0,0,1|2,0,0]=4 3526 B10R0.18 CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210183 [0,1,0,0,0,1|2,0,0]=4 3527 B10R0.18 CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210183 [0,1,0,0,0,1|2,0,0]=4 3528 B10R0.18 CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210183 [0,1,0,0,0,1|2,0,0]=4 3529 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,1,0,0,0,1|2,0,0]=4 3530 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,1,0,0,0,1|2,0,0]=4 3531 B10R0.18 CCCNC(=O)C=C(C)CC 11a_100020643023_100020758463 [0,1,0,0,0,1|1,0,1]=4 3532 B10R0.18 CCCNC(=O)C=C(C)CC 1626a_100020643023_100020758463 [0,1,0,0,0,1|1,0,1]=4 3533 B10R0.18 CCCNC(=O)C=C(C)CC 240690a_100020643023_100020758463 [0,1,0,0,0,1|1,0,1]=4 3534 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [0,1,0,0,0,1|1,0,0]=3 3535 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [0,1,0,0,0,1|1,0,0]=3 3536 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [0,1,0,0,0,1|1,0,0]=3 3537 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [0,1,0,0,0,1|1,0,0]=3 3538 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,1,0,0,0,1|2,0,0]=4 3539 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,1,0,0,0,1|2,0,0]=4 3540 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000225621_100000183358 [0,1,0,0,0,1|2,0,0]=4 3541 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000684209_100000210202 [0,1,0,0,0,1|2,0,0]=4 3542 B10R0.18 CCCNC(=O)CN(C)CC 240690a_100020643023_100116209913 [0,1,0,0,0,1|2,0,0]=4 3543 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000225621_100000183358 [0,1,0,0,0,1|2,0,0]=4 3544 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000684209_100000204670 [0,1,0,0,0,1|2,0,0]=4 3545 B10R0.18 CCCNC(=O)CN(C)CC 527a_100020643023_100116209913 [0,1,0,0,0,1|2,0,0]=4 3546 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100000209981_100020643023 [0,1,0,0,0,1|1,0,0]=3 3547 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100020643023_100000209981 [0,1,0,0,0,1|1,0,0]=3 3548 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100000209981_100020643023 [0,1,0,0,0,1|1,0,0]=3 3549 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100020643023_100000209981 [0,1,0,0,0,1|1,0,0]=3 3550 B10R0.18 CCCNC(=O)NC(C)CC 512a_100000209981_100020643023 [0,1,0,0,0,1|1,0,0]=3 3551 B10R0.18 CCCNC(=O)NC(C)CC 512a_100020643023_100000209981 [0,1,0,0,0,1|1,0,0]=3 3552 B10R0.18 CCCNC(=O)N[C@H](C)CF 2708a_100020643023_100102880703 [0,1,0,0,0,1|2,0,0]=4 3553 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100020643023_100102880703 [0,1,0,0,0,1|2,0,0]=4 3554 B10R0.18 CCCNC(=O)N[C@H](C)CF 273464a_100102880703_100020643023 [0,1,0,0,0,1|2,0,0]=4 3555 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100020643023_100102880703 [0,1,0,0,0,1|2,0,0]=4 3556 B10R0.18 CCCNC(=O)N[C@H](C)CF 512a_100102880703_100020643023 [0,1,0,0,0,1|2,0,0]=4 3557 B10R0.18 CCCNC(=O)N[C@H](C)CO 2708a_100020643023_100000737577 [0,1,0,0,0,1|2,0,0]=4 3558 B10R0.18 CCCNC(=O)N[C@H](C)CO 273464a_100000737577_100020643023 [0,1,0,0,0,1|2,0,0]=4 3559 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100000737577_100020643023 [0,1,0,0,0,1|2,0,0]=4 3560 B10R0.18 CCCNC(=O)N[C@H](C)CO 512a_100020643023_100000737577 [0,1,0,0,0,1|2,0,0]=4 3561 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,1,0,0,0,1|1,0,1]=4 3562 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [0,1,0,0,0,1|1,0,0]=3 3563 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [0,1,0,0,0,1|1,0,0]=3 3564 B10R0.18 CCN(C)CC(=O)CCCF 1458a_100116209913_100011934791 [0,1,0,0,0,1|2,0,0]=4 3565 B10R0.18 CCN(C)CC(=O)CCCO 1458a_100116209913_100011215043 [0,1,0,0,0,1|2,0,0]=4 3566 B10R0.18 CCN(C)CC(=O)CCOC 1458a_100116209913_100000233755 [0,1,0,0,0,1|2,0,0]=4 3567 B10R0.18 CCN(C)CC(=O)CCSC 1458a_100116209913_100000751147 [0,1,0,0,0,1|2,0,0]=4 3568 B10R0.18 CCN(C)CC(=O)NCCF 240690a_100000724931_100116209913 [0,1,0,0,0,1|2,0,0]=4 3569 B10R0.18 CCN(C)CC(=O)NCCF 527a_100000724931_100116209913 [0,1,0,0,0,1|2,0,0]=4 3570 B10R0.18 CCN(C)CC(=O)NCCO 240690a_100000210304_100116209913 [0,1,0,0,0,1|2,0,0]=4 3571 B10R0.18 CCN(C)CC(=O)NCCO 527a_100000210304_100116209913 [0,1,0,0,0,1|2,0,0]=4 3572 B10R0.18 CCNCC(=O)NC(C)CC 2230a_100015525214_100000182745 [0,1,0,0,0,1|1,0,0]=3 3573 B10R0.18 CCNN=C(C)CC(C)CC 4a_100000756455_100011710205 [0,1,0,0,0,1|2,0,0]=4 3574 B10R0.18 CCNNC(=O)C=C(C)CC 22a_100000756455_100020758463 [0,1,0,0,0,1|1,0,1]=4 3575 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [0,1,0,0,0,1|1,0,0]=3 3576 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [0,1,0,0,0,1|2,0,0]=4 3577 B10R0.18 CCNNC(=O)CN(C)CC 22a_100000756455_100116209913 [0,1,0,0,0,1|2,0,0]=4 3578 B10R0.18 CCNNC(=O)NC(C)CC 273464a_100000209981_100000756455 [0,1,0,0,0,1|1,0,0]=3 3579 B10R0.18 CCNNC(=O)NC(C)CC 512a_100000209981_100000756455 [0,1,0,0,0,1|1,0,0]=3 3580 B10R0.18 CCNNC(=O)NC(C)CC 512a_100000756455_100000209981 [0,1,0,0,0,1|1,0,0]=3 3581 B10R0.18 CCNNC(=O)N[C@H](C)CF 273464a_100102880703_100000756455 [0,1,0,0,0,1|2,0,0]=4 3582 B10R0.18 CCNNC(=O)N[C@H](C)CF 512a_100000756455_100102880703 [0,1,0,0,0,1|2,0,0]=4 3583 B10R0.18 CCNNC(=O)N[C@H](C)CF 512a_100102880703_100000756455 [0,1,0,0,0,1|2,0,0]=4 3584 B10R0.18 CCNNC(=O)N[C@H](C)CO 273464a_100000737577_100000756455 [0,1,0,0,0,1|2,0,0]=4 3585 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000737577_100000756455 [0,1,0,0,0,1|2,0,0]=4 3586 B10R0.18 CCNNC(=O)N[C@H](C)CO 512a_100000756455_100000737577 [0,1,0,0,0,1|2,0,0]=4 3587 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,1,0,0,0,1|1,0,1]=4 3588 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,1,0,0,0,1|0,0,0]=2 3589 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,1,0,0,0,1|1,0,0]=3 3590 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,1,0,0,0,1|0,0,0]=2 3591 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,1,0,0,0,1|1,0,0]=3 3592 B10R0.18 CCOCC(=O)NC(C)C#N 11a_100000737613_100000211967 [0,1,0,0,0,1|1,0,1]=4 3593 B10R0.18 CCOCC(=O)NC(C)C#N 1626a_100000737613_100000211967 [0,1,0,0,0,1|1,0,1]=4 3594 B10R0.18 CCOCC(=O)NC(C)C#N 527a_100000737613_100000211967 [0,1,0,0,0,1|1,0,1]=4 3595 B10R0.18 CCOCC(=O)NC(C)CC 11a_100000209981_100000211967 [0,1,0,0,0,1|0,0,0]=2 3596 B10R0.18 CCOCC(=O)NC(C)CC 1626a_100000209981_100000211967 [0,1,0,0,0,1|0,0,0]=2 3597 B10R0.18 CCOCC(=O)NC(C)CC 240690a_100000209981_100000211967 [0,1,0,0,0,1|0,0,0]=2 3598 B10R0.18 CCOCC(=O)NC(C)CC 34a_100121572206_100000182745 [0,1,0,0,0,1|0,0,0]=2 3599 B10R0.18 CCOCC(=O)NC(C)CC 527a_100000209981_100000211967 [0,1,0,0,0,1|0,0,0]=2 3600 B10R0.18 CCOCC(=O)N[C@H](C)CF 11a_100102880703_100000211967 [0,1,0,0,0,1|1,0,0]=3 3601 B10R0.18 CCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000211967 [0,1,0,0,0,1|1,0,0]=3 3602 B10R0.18 CCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000211967 [0,1,0,0,0,1|1,0,0]=3 3603 B10R0.18 CCOCC(=O)N[C@H](C)CF 527a_100102880703_100000211967 [0,1,0,0,0,1|1,0,0]=3 3604 B10R0.18 CCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000211967 [0,1,0,0,0,1|1,0,0]=3 3605 B10R0.18 CCOCC(=O)N[C@H](C)CO 527a_100000737577_100000211967 [0,1,0,0,0,1|1,0,0]=3 3606 B10R0.18 CCOCC(C)OC(C)CC 34a_100000718985_100011215416 [0,1,0,0,0,1|1,0,1]=4 3607 B10R0.18 CCOCC(C)OC(C)CC 7a_100000718985_100000758301 [0,1,0,0,0,1|1,0,1]=4 3608 B10R0.18 CCOCN(C)CC(C)CC 269982a_100000753921_100000739092 [0,1,0,0,0,1|2,0,0]=4 3609 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [0,1,0,0,0,1|0,1,0]=3 3610 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,1,0,0,0,1|1,1,0]=4 3611 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [0,1,0,0,0,1|0,1,0]=3 3612 B10R0.18 CCSCC(=O)C[C@@H](C)CO 1458a_100000230394_100000059175 [0,1,0,0,0,1|1,1,0]=4 3613 B10R0.18 CCSCC(=O)NC(C)CC 11a_100000209981_100000230394 [0,1,0,0,0,1|0,1,0]=3 3614 B10R0.18 CCSCC(=O)NC(C)CC 1626a_100000209981_100000230394 [0,1,0,0,0,1|0,1,0]=3 3615 B10R0.18 CCSCC(=O)NC(C)CC 240690a_100000209981_100000230394 [0,1,0,0,0,1|0,1,0]=3 3616 B10R0.18 CCSCC(=O)NC(C)CC 527a_100000209981_100000230394 [0,1,0,0,0,1|0,1,0]=3 3617 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000182745_100000210202 [0,1,0,0,0,1|0,1,0]=3 3618 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000210202_100000182745 [0,1,0,0,0,1|0,1,0]=3 3619 B10R0.18 CCSCC(=O)N[C@H](C)CF 11a_100102880703_100000230394 [0,1,0,0,0,1|1,1,0]=4 3620 B10R0.18 CCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000230394 [0,1,0,0,0,1|1,1,0]=4 3621 B10R0.18 CCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000230394 [0,1,0,0,0,1|1,1,0]=4 3622 B10R0.18 CCSCC(=O)N[C@H](C)CF 527a_100102880703_100000230394 [0,1,0,0,0,1|1,1,0]=4 3623 B10R0.18 CCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000230394 [0,1,0,0,0,1|1,1,0]=4 3624 B10R0.18 CCSCC(=O)N[C@H](C)CO 527a_100000737577_100000230394 [0,1,0,0,0,1|1,1,0]=4 3625 B10R0.18 CC[C@H](C)CC(=O)C#CCO 1458a_100000049017_100009816398 [0,1,0,0,0,1|1,0,1]=4 3626 B10R0.18 CC[C@H](C)CC(=O)C=COC 1458a_100016268678_100009816398 [0,1,0,0,0,1|1,0,1]=4 3627 B10R0.18 CC[C@H](C)CC(=O)CCC#N 1458a_100011934036_100009816398 [0,1,0,0,0,1|1,0,1]=4 3628 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [0,1,0,0,0,1|1,0,0]=3 3629 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [0,1,0,0,0,1|1,0,0]=3 3630 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [0,1,0,0,0,1|2,0,0]=4 3631 B10R0.18 COCCC(=O)N[C@H](C)CF 11a_100102880703_100000749529 [0,1,0,0,0,1|2,0,0]=4 3632 B10R0.18 COCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749529 [0,1,0,0,0,1|2,0,0]=4 3633 B10R0.18 COCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749529 [0,1,0,0,0,1|2,0,0]=4 3634 B10R0.18 COCCC(=O)N[C@H](C)CF 527a_100102880703_100000749529 [0,1,0,0,0,1|2,0,0]=4 3635 B10R0.18 COCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749529 [0,1,0,0,0,1|2,0,0]=4 3636 B10R0.18 COCCC(=O)N[C@H](C)CO 527a_100000737577_100000749529 [0,1,0,0,0,1|2,0,0]=4 3637 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,1,0,0,0,1|2,0,0]=4 3638 B10R0.18 CSCCC(=O)N[C@H](C)CF 11a_100102880703_100000174002 [0,1,0,0,0,1|2,0,0]=4 3639 B10R0.18 CSCCC(=O)N[C@H](C)CF 1626a_100102880703_100000174002 [0,1,0,0,0,1|2,0,0]=4 3640 B10R0.18 CSCCC(=O)N[C@H](C)CF 240690a_100102880703_100000174002 [0,1,0,0,0,1|2,0,0]=4 3641 B10R0.18 CSCCC(=O)N[C@H](C)CF 527a_100102880703_100000174002 [0,1,0,0,0,1|2,0,0]=4 3642 B10R0.18 CSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000174002 [0,1,0,0,0,1|2,0,0]=4 3643 B10R0.18 CSCCC(=O)N[C@H](C)CO 527a_100000737577_100000174002 [0,1,0,0,0,1|2,0,0]=4 3644 B10R0.18 C[C@H](CF)NC(=O)NCCF 273464a_100000724931_100102880703 [0,1,0,0,0,1|2,0,0]=4 3645 B10R0.18 C[C@H](CF)NC(=O)NCCF 273464a_100102880703_100000724931 [0,1,0,0,0,1|2,0,0]=4 3646 B10R0.18 C[C@H](CF)NC(=O)NCCF 512a_100102880703_100000724931 [0,1,0,0,0,1|2,0,0]=4 3647 B10R0.18 C[C@H](CF)NC(=O)NCCO 273464a_100000210304_100102880703 [0,1,0,0,0,1|2,0,0]=4 3648 B10R0.18 C[C@H](CF)NC(=O)NCCO 273464a_100102880703_100000210304 [0,1,0,0,0,1|2,0,0]=4 3649 B10R0.18 C[C@H](CF)NC(=O)NCCO 512a_100102880703_100000210304 [0,1,0,0,0,1|2,0,0]=4 3650 B10R0.18 C[C@H](CO)NC(=O)NCCF 273464a_100000737577_100000724931 [0,1,0,0,0,1|2,0,0]=4 3651 B10R0.18 C[C@H](CO)NC(=O)NCCF 512a_100000737577_100000724931 [0,1,0,0,0,1|2,0,0]=4 3652 B10R0.18 C[C@H](CO)NC(=O)NCCO 273464a_100000737577_100000210304 [0,1,0,0,0,1|2,0,0]=4 3653 B10R0.18 C[C@H](CO)NC(=O)NCCO 512a_100000737577_100000210304 [0,1,0,0,0,1|2,0,0]=4 3654 B10R0.26 CC(C)C(C)NC(=O)CCO 240690a_100000211541_100011216618 [0,1,0,0,0,1|2,0,0]=4 3655 B10R0.26 CC=CC(=O)NC(C)C(C)C 11a_100000211541_100000210699 [0,1,0,0,0,1|1,0,1]=4 3656 B10R0.26 CC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000210699 [0,1,0,0,0,1|1,0,1]=4 3657 B10R0.26 CC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000210699 [0,1,0,0,0,1|1,0,1]=4 3658 B10R0.26 CCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210303 [0,1,0,0,0,1|2,0,0]=4 3659 B10R0.26 CCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210303 [0,1,0,0,0,1|2,0,0]=4 3660 B10R0.26 CCCC(=O)CN(C)C(C)C 269982a_200000211004_100000747444 [0,1,0,0,0,1|2,0,0]=4 3661 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,1,0,0,0,1|1,0,1]=4 3662 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,1,0,0,0,1|1,0,1]=4 3663 B10R0.26 CCCC(=O)NC(C)C(C)C 11a_100000211541_100000211992 [0,1,0,0,0,1|1,0,0]=3 3664 B10R0.26 CCCC(=O)NC(C)C(C)C 1626a_100000211541_100000211992 [0,1,0,0,0,1|1,0,0]=3 3665 B10R0.26 CCCC(=O)NC(C)C(C)C 240690a_100000211541_100000211992 [0,1,0,0,0,1|1,0,0]=3 3666 B10R0.26 CCCC(=O)NC(C)C(C)C 527a_100000211541_100000211992 [0,1,0,0,0,1|1,0,0]=3 3667 B10R0.26 CCNC(=O)CC(C)N(C)C 240690a_100015525214_100011311895 [0,1,0,0,0,1|2,0,0]=4 3668 B10R0.26 CCNC(=O)CN(C)C(C)C 11a_100015525214_100000743827 [0,1,0,0,0,1|2,0,0]=4 3669 B10R0.26 CCNC(=O)CN(C)C(C)C 2230a_100000741943_100000210206 [0,1,0,0,0,1|2,0,0]=4 3670 B10R0.26 CCNC(=O)CN(C)C(C)C 240690a_100015525214_100000743827 [0,1,0,0,0,1|2,0,0]=4 3671 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_100000741943_100000210206 [0,1,0,0,0,1|2,0,0]=4 3672 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_200000211004_100000183381 [0,1,0,0,0,1|2,0,0]=4 3673 B10R0.26 CCNC(=O)CN(C)C(C)C 527a_100015525214_100000743827 [0,1,0,0,0,1|2,0,0]=4 3674 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100000211541_100015525214 [0,1,0,0,0,1|1,0,0]=3 3675 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100015525214_100000211541 [0,1,0,0,0,1|1,0,0]=3 3676 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100000211541_100015525214 [0,1,0,0,0,1|1,0,0]=3 3677 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100015525214_100000211541 [0,1,0,0,0,1|1,0,0]=3 3678 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100000211541_100015525214 [0,1,0,0,0,1|1,0,0]=3 3679 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100015525214_100000211541 [0,1,0,0,0,1|1,0,0]=3 3680 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,1,0,0,0,1|1,0,1]=4 3681 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,1,0,0,0,1|1,0,1]=4 3682 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,1,0,0,0,1|1,0,1]=4 3683 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,1,0,0,0,1|1,0,1]=4 3684 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,1,0,0,0,1|1,0,1]=4 3685 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,0,1|0,0,1]=3 3686 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,1,0,0,0,1|1,0,0]=3 3687 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,1,0,0,0,1|1,0,0]=3 3688 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,1,0,0,0,1|1,0,1]=4 3689 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,1,0,0,0,1|1,0,1]=4 3690 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,1,0,0,0,1|1,0,1]=4 3691 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,1,0,0,0,1|1,0,1]=4 3692 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [0,1,0,0,0,1|1,0,0]=3 3693 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [0,1,0,0,0,1|1,0,0]=3 3694 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [0,1,0,0,0,1|1,0,0]=3 3695 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [0,1,0,0,0,1|1,0,0]=3 3696 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [0,1,0,0,0,1|1,0,0]=3 3697 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [0,1,0,0,0,1|1,0,0]=3 3698 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,1,0,0,0,1|1,0,0]=3 3699 B10R0.26 CNNC(=O)NC(C)C(C)C 273464a_100000211541_100016993582 [0,1,0,0,0,1|2,0,0]=4 3700 B10R0.26 CNNC(=O)NC(C)C(C)C 512a_100000211541_100016993582 [0,1,0,0,0,1|2,0,0]=4 3701 B10R0.26 CNNC(=O)NC(C)C(C)C 512a_100016993582_100000211541 [0,1,0,0,0,1|2,0,0]=4 3702 B10R0.26 COCC(=O)NC(C)C(C)C 11a_100000211541_100000210968 [0,1,0,0,0,1|2,0,0]=4 3703 B10R0.26 COCC(=O)NC(C)C(C)C 1626a_100000211541_100000210968 [0,1,0,0,0,1|2,0,0]=4 3704 B10R0.26 COCC(=O)NC(C)C(C)C 240690a_100000211541_100000210968 [0,1,0,0,0,1|2,0,0]=4 3705 B10R0.26 COCC(=O)NC(C)C(C)C 527a_100000211541_100000210968 [0,1,0,0,0,1|2,0,0]=4 3706 B10R0.26 CSCC(=O)NC(C)C(C)C 11a_100000211541_100000184570 [0,1,0,0,0,1|2,0,0]=4 3707 B10R0.26 CSCC(=O)NC(C)C(C)C 1626a_100000211541_100000184570 [0,1,0,0,0,1|2,0,0]=4 3708 B10R0.26 CSCC(=O)NC(C)C(C)C 240690a_100000211541_100000184570 [0,1,0,0,0,1|2,0,0]=4 3709 B10R0.26 CSCC(=O)NC(C)C(C)C 527a_100000211541_100000184570 [0,1,0,0,0,1|2,0,0]=4 3710 B10R0.29 CCOC(CC)CC(C)CC 7a_200011216566_100000210202 [0,1,0,0,0,1|1,0,1]=4 3711 B10R0.34 CC#CC(=O)CC(CC)CC 1458a_100000763181_100011215472 [0,1,0,0,0,1|1,0,1]=4 3712 B10R0.34 CC=CC(=O)CC(CC)CC 1458a_100000210699_100011215472 [0,1,0,0,0,1|1,0,1]=4 3713 B10R0.34 CC=CC(=O)NC(CC)CC 11a_100000199018_100000210699 [0,1,0,0,0,1|1,0,1]=4 3714 B10R0.34 CC=CC(=O)NC(CC)CC 1626a_100000199018_100000210699 [0,1,0,0,0,1|1,0,1]=4 3715 B10R0.34 CC=CC(=O)NC(CC)CC 240690a_100000199018_100000210699 [0,1,0,0,0,1|1,0,1]=4 3716 B10R0.34 CC=CC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210699 [0,1,0,0,0,1|1,0,1]=4 3717 B10R0.34 CCC(CC)CC(=O)CCO 1458a_100011216618_100011215472 [0,1,0,0,0,1|2,0,0]=4 3718 B10R0.34 CCC(CC)CC(=O)COC 1458a_100000210968_100011215472 [0,1,0,0,0,1|2,0,0]=4 3719 B10R0.34 CCC(CC)CC(=O)CSC 1458a_100000184570_100011215472 [0,1,0,0,0,1|2,0,0]=4 3720 B10R0.34 CCC(CC)NC(=O)CCO 240690a_100000199018_100011216618 [0,1,0,0,0,1|2,0,0]=4 3721 B10R0.34 CCC(CC)NC(=O)COC 11a_100000199018_100000210968 [0,1,0,0,0,1|2,0,0]=4 3722 B10R0.34 CCC(CC)NC(=O)COC 1626a_100000199018_100000210968 [0,1,0,0,0,1|2,0,0]=4 3723 B10R0.34 CCC(CC)NC(=O)COC 240690a_100000199018_100000210968 [0,1,0,0,0,1|2,0,0]=4 3724 B10R0.34 CCC(CC)NC(=O)COC 527a_100000199018_100000210968 [0,1,0,0,0,1|2,0,0]=4 3725 B10R0.34 CCC(CC)NC(=O)CSC 11a_100000199018_100000184570 [0,1,0,0,0,1|2,0,0]=4 3726 B10R0.34 CCC(CC)NC(=O)CSC 1626a_100000199018_100000184570 [0,1,0,0,0,1|2,0,0]=4 3727 B10R0.34 CCC(CC)NC(=O)CSC 240690a_100000199018_100000184570 [0,1,0,0,0,1|2,0,0]=4 3728 B10R0.34 CCC(CC)NC(=O)CSC 527a_100000199018_100000184570 [0,1,0,0,0,1|2,0,0]=4 3729 B10R0.34 CCC(CC)NC(=O)NNC 273464a_100000199018_100016993582 [0,1,0,0,0,1|2,0,0]=4 3730 B10R0.34 CCC(CC)NC(=O)NNC 512a_100000199018_100016993582 [0,1,0,0,0,1|2,0,0]=4 3731 B10R0.34 CCC(CC)NC(=O)NNC 512a_100016993582_100000199018 [0,1,0,0,0,1|2,0,0]=4 3732 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [0,1,0,0,0,1|1,0,0]=3 3733 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [0,1,0,0,0,1|2,0,0]=4 3734 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [0,1,0,0,0,1|2,0,0]=4 3735 B10R0.34 CCCC(=O)CN(CC)CC 1458a_100000758533_100000210303 [0,1,0,0,0,1|2,0,0]=4 3736 B10R0.34 CCCC(=O)CN(CC)CC 2230a_100000724800_100000747444 [0,1,0,0,0,1|2,0,0]=4 3737 B10R0.34 CCCC(=O)CN(CC)CC 269956a_100000042499_100000747444 [0,1,0,0,0,1|2,0,0]=4 3738 B10R0.34 CCCC(=O)CN(CC)CC 269982a_100000724800_100000747444 [0,1,0,0,0,1|2,0,0]=4 3739 B10R0.34 CCCC(=O)NC(CC)CC 11a_100000199018_100000211992 [0,1,0,0,0,1|1,0,0]=3 3740 B10R0.34 CCCC(=O)NC(CC)CC 1626a_100000199018_100000211992 [0,1,0,0,0,1|1,0,0]=3 3741 B10R0.34 CCCC(=O)NC(CC)CC 240690a_100000199018_100000211992 [0,1,0,0,0,1|1,0,0]=3 3742 B10R0.34 CCCC(=O)NC(CC)CC 527a_100000199018_100000211992 [0,1,0,0,0,1|1,0,0]=3 3743 B10R0.34 CCCC(=O)NC(CO)CO 240690a_100000759517_100000211992 [0,1,0,0,0,1|2,0,0]=4 3744 B10R0.34 CCCC(=O)NC(CO)CO 527a_100000759517_100000211992 [0,1,0,0,0,1|2,0,0]=4 3745 B10R0.34 CCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000211992 [0,1,0,0,0,1|1,0,0]=3 3746 B10R0.34 CCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000211992 [0,1,0,0,0,1|1,0,0]=3 3747 B10R0.34 CCNC(=O)CC(OC)OC 11a_100015525214_100000082724 [0,1,0,0,0,1|2,0,0]=4 3748 B10R0.34 CCNC(=O)CC(OC)OC 240690a_100015525214_100000082724 [0,1,0,0,0,1|2,0,0]=4 3749 B10R0.34 CCNC(=O)CC(OC)OC 527a_100015525214_100000082724 [0,1,0,0,0,1|2,0,0]=4 3750 B10R0.34 CCNC(=O)CN(CC)CC 11a_100015525214_100000758533 [0,1,0,0,0,1|2,0,0]=4 3751 B10R0.34 CCNC(=O)CN(CC)CC 2230a_100000724800_100000183381 [0,1,0,0,0,1|2,0,0]=4 3752 B10R0.34 CCNC(=O)CN(CC)CC 240690a_100015525214_100000758533 [0,1,0,0,0,1|2,0,0]=4 3753 B10R0.34 CCNC(=O)CN(CC)CC 269956a_100000042499_100000183381 [0,1,0,0,0,1|2,0,0]=4 3754 B10R0.34 CCNC(=O)CN(CC)CC 269982a_100000724800_100000183381 [0,1,0,0,0,1|2,0,0]=4 3755 B10R0.34 CCNC(=O)CN(CC)CC 527a_100015525214_100000758533 [0,1,0,0,0,1|2,0,0]=4 3756 B10R0.34 CCNC(=O)NC(CC)CC 2708a_100000199018_100015525214 [0,1,0,0,0,1|1,0,0]=3 3757 B10R0.34 CCNC(=O)NC(CC)CC 2708a_100015525214_100000199018 [0,1,0,0,0,1|1,0,0]=3 3758 B10R0.34 CCNC(=O)NC(CC)CC 273464a_100000199018_100015525214 [0,1,0,0,0,1|1,0,0]=3 3759 B10R0.34 CCNC(=O)NC(CC)CC 273464a_100015525214_100000199018 [0,1,0,0,0,1|1,0,0]=3 3760 B10R0.34 CCNC(=O)NC(CC)CC 512a_100000199018_100015525214 [0,1,0,0,0,1|1,0,0]=3 3761 B10R0.34 CCNC(=O)NC(CC)CC 512a_100015525214_100000199018 [0,1,0,0,0,1|1,0,0]=3 3762 B10R0.34 CCNC(=O)NC(CO)CO 2708a_100015525214_100000759517 [0,1,0,0,0,1|2,0,0]=4 3763 B10R0.34 CCNC(=O)NC(CO)CO 273464a_100000759517_100015525214 [0,1,0,0,0,1|2,0,0]=4 3764 B10R0.34 CCNC(=O)NC(CO)CO 273464a_100015525214_100000759517 [0,1,0,0,0,1|2,0,0]=4 3765 B10R0.34 CCNC(=O)NC(CO)CO 512a_100015525214_100000759517 [0,1,0,0,0,1|2,0,0]=4 3766 B10R0.34 CCNC(=O)N[C@@H](CC)CO 2708a_100015525214_100000709445 [0,1,0,0,0,1|1,0,0]=3 3767 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100015525214 [0,1,0,0,0,1|1,0,0]=3 3768 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100015525214_100000709445 [0,1,0,0,0,1|1,0,0]=3 3769 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100000709445_100015525214 [0,1,0,0,0,1|1,0,0]=3 3770 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100015525214_100000709445 [0,1,0,0,0,1|1,0,0]=3 3771 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000220607_100000210202 [0,1,0,0,0,1|1,0,0]=3 3772 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000724800_100000188475 [0,1,0,0,0,1|1,0,0]=3 3773 B10R0.34 CCOC(=O)CN(CC)CC 269956a_100000042499_100000188475 [0,1,0,0,0,1|1,0,0]=3 3774 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000220607_100000204670 [0,1,0,0,0,1|1,0,0]=3 3775 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000724800_100000188475 [0,1,0,0,0,1|1,0,0]=3 3776 B10R0.34 CCOC(=O)CN(CC)CF 269982a_100000220607_100015361967 [0,1,0,0,0,1|1,0,0]=3 3777 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [0,1,0,0,0,1|1,0,0]=3 3778 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [0,1,0,0,0,1|1,0,0]=3 3779 B10R0.34 CC[C@@H](CO)NC(=O)CCO 240690a_100000709445_100011216618 [0,1,0,0,0,1|2,0,0]=4 3780 B10R0.34 CC[C@@H](CO)NC(=O)COC 240690a_100000709445_100000210968 [0,1,0,0,0,1|2,0,0]=4 3781 B10R0.34 CC[C@@H](CO)NC(=O)COC 527a_100000709445_100000210968 [0,1,0,0,0,1|2,0,0]=4 3782 B10R0.34 CC[C@@H](CO)NC(=O)CSC 240690a_100000709445_100000184570 [0,1,0,0,0,1|2,0,0]=4 3783 B10R0.34 CC[C@@H](CO)NC(=O)CSC 527a_100000709445_100000184570 [0,1,0,0,0,1|2,0,0]=4 3784 B10R0.34 CC[C@@H](CO)NC(=O)NNC 273464a_100000709445_100016993582 [0,1,0,0,0,1|2,0,0]=4 3785 B10R0.34 CC[C@@H](CO)NC(=O)NNC 512a_100000709445_100016993582 [0,1,0,0,0,1|2,0,0]=4 3786 B10R0.34 CC[C@@H](CO)NC(=O)NNC 512a_100016993582_100000709445 [0,1,0,0,0,1|2,0,0]=4 3787 B10R0.35 CC/C=C(\C)/C(=O)C(C)CC 1458a_100016988807_100000758301 [0,1,0,0,0,1|2,0,0]=4 3788 B10R0.35 CC=CC(=O)N(C)C(C)CC 11a_100000741768_100000210699 [0,1,0,0,0,1|1,0,1]=4 3789 B10R0.35 CC=CC(=O)N(C)C(C)CC 1626a_100000741768_100000210699 [0,1,0,0,0,1|1,0,1]=4 3790 B10R0.35 CC=CC(=O)N(C)C(C)CC 240690a_100000741768_100000210699 [0,1,0,0,0,1|1,0,1]=4 3791 B10R0.35 CCC(C)N(C)C(=O)CCO 240690a_100000741768_100011216618 [0,1,0,0,0,1|2,0,0]=4 3792 B10R0.35 CCC(C)N(C)C(=O)COC 11a_100000741768_100000210968 [0,1,0,0,0,1|2,0,0]=4 3793 B10R0.35 CCC(C)N(C)C(=O)COC 1626a_100000741768_100000210968 [0,1,0,0,0,1|2,0,0]=4 3794 B10R0.35 CCC(C)N(C)C(=O)COC 240690a_100000741768_100000210968 [0,1,0,0,0,1|2,0,0]=4 3795 B10R0.35 CCC(C)N(C)C(=O)COC 527a_100000741768_100000210968 [0,1,0,0,0,1|2,0,0]=4 3796 B10R0.35 CCC(C)N(C)C(=O)CSC 11a_100000741768_100000184570 [0,1,0,0,0,1|2,0,0]=4 3797 B10R0.35 CCC(C)N(C)C(=O)CSC 1626a_100000741768_100000184570 [0,1,0,0,0,1|2,0,0]=4 3798 B10R0.35 CCC(C)N(C)C(=O)CSC 240690a_100000741768_100000184570 [0,1,0,0,0,1|2,0,0]=4 3799 B10R0.35 CCC(C)N(C)C(=O)CSC 527a_100000741768_100000184570 [0,1,0,0,0,1|2,0,0]=4 3800 B10R0.35 CCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210303 [0,1,0,0,0,1|2,0,0]=4 3801 B10R0.35 CCCC(=O)N(C)C(C)CC 11a_100000741768_100000211992 [0,1,0,0,0,1|1,0,0]=3 3802 B10R0.35 CCCC(=O)N(C)C(C)CC 1626a_100000741768_100000211992 [0,1,0,0,0,1|1,0,0]=3 3803 B10R0.35 CCCC(=O)N(C)C(C)CC 240690a_100000741768_100000211992 [0,1,0,0,0,1|1,0,0]=3 3804 B10R0.35 CCCC(=O)N(C)C(C)CC 527a_100000741768_100000211992 [0,1,0,0,0,1|1,0,0]=3 3805 B10R0.35 CCCC(=O)N(C)C(C)CO 240690a_100000693034_100000211992 [0,1,0,0,0,1|2,0,0]=4 3806 B10R0.35 CCCC(=O)N(C)C(C)CO 527a_100000693034_100000211992 [0,1,0,0,0,1|2,0,0]=4 3807 B10R0.35 CCNC(=O)C(=O)C(C)CC 1458a_200011297158_100000758301 [0,1,0,0,0,1|1,0,0]=3 3808 B10R0.35 CCNC(=O)C(=O)N(C)CC 1626a_100000225621_200011297158 [0,1,0,0,0,1|2,0,0]=4 3809 B10R0.35 CCNC(=O)C(=O)N(C)CC 240690a_100000225621_200011297158 [0,1,0,0,0,1|2,0,0]=4 3810 B10R0.35 CCNC(=O)C(=O)N(C)CC 527a_100000225621_200011297158 [0,1,0,0,0,1|2,0,0]=4 3811 B10R0.35 CCNC(=O)C(C)N(C)CC 2230a_100000225621_100000230173 [0,1,0,0,0,1|2,0,0]=4 3812 B10R0.35 CCNC(=O)C(C)N(C)CC 240690a_100015525214_100011281945 [0,1,0,0,0,1|2,0,0]=4 3813 B10R0.35 CCNC(=O)C(C)N(C)CC 269982a_100000225621_100000230173 [0,1,0,0,0,1|2,0,0]=4 3814 B10R0.35 CCNC(=O)C(C)N(C)CC 527a_100015525214_100011281945 [0,1,0,0,0,1|2,0,0]=4 3815 B10R0.35 CCNC(=O)N(C)C(C)CC 2708a_100015525214_100000741768 [0,1,0,0,0,1|1,0,0]=3 3816 B10R0.35 CCNC(=O)N(C)C(C)CC 273464a_100015525214_100000741768 [0,1,0,0,0,1|1,0,0]=3 3817 B10R0.35 CCNC(=O)N(C)C(C)CO 2708a_100015525214_100000693034 [0,1,0,0,0,1|2,0,0]=4 3818 B10R0.35 CCOC(=O)C(=O)C(C)NC 2230a_106832991635_100010256902 [0,1,0,0,0,1|1,0,0]=3 3819 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_100010256902_200000210301 [0,1,0,0,0,1|1,0,0]=3 3820 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_200000210301_100010256902 [0,1,0,0,0,1|1,0,0]=3 3821 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_100010256902_200025704644 [0,1,0,0,0,1|1,0,0]=3 3822 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100010256902 [0,1,0,0,0,1|1,0,0]=3 3823 B10R0.35 CCOC(=O)C(=O)N(C)CC 11a_100000225621_100014798877 [0,1,0,0,0,1|1,0,0]=3 3824 B10R0.35 CCOC(=O)C(=O)N(C)CC 1626a_100000225621_100014798877 [0,1,0,0,0,1|1,0,0]=3 3825 B10R0.35 CCOC(=O)C(=O)N(C)CC 240690a_100000225621_100014798877 [0,1,0,0,0,1|1,0,0]=3 3826 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,1,0,0,0,1|1,0,1]=4 3827 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,1,0,0,0,1|1,0,1]=4 3828 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [0,1,0,0,0,1|1,0,0]=3 3829 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [0,1,0,0,0,1|1,0,0]=3 3830 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,1,0,0,0,1|1,0,1]=4 3831 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [0,1,0,0,0,1|1,0,0]=3 3832 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [0,1,0,0,0,1|1,0,0]=3 3833 B10R0.35 CCOC(C)C(=O)C(C)CC 1458a_100000739345_100000758301 [0,1,0,0,0,1|1,0,1]=4 3834 B10R0.35 CCOC(C)C(C)C(C)CC 7a_200011290770_100000210202 [0,1,0,0,0,1|1,0,1]=4 3835 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,1,0,0,0,1|1,0,1]=4 3836 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [0,1,0,0,0,1|2,0,0]=4 3837 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 3838 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 3839 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 3840 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000210554 [0,1,0,0,0,1|2,0,0]=4 3841 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [0,1,0,0,0,1|2,0,0]=4 3842 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [0,1,0,0,0,1|2,0,0]=4 3843 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 2708a_100138425928_100102880703 [0,1,0,0,0,1|2,0,0]=4 3844 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 273464a_100138425928_100102880703 [0,1,0,0,0,1|2,0,0]=4 3845 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100102880703_100138425928 [0,1,0,0,0,1|2,0,0]=4 3846 B10R0.44 CC(C)NC(=O)N[C@H](C)CF 512a_100138425928_100102880703 [0,1,0,0,0,1|2,0,0]=4 3847 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 2708a_100138425928_100000737577 [0,1,0,0,0,1|2,0,0]=4 3848 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100000737577_100138425928 [0,1,0,0,0,1|2,0,0]=4 3849 B10R0.44 CC(C)NC(=O)N[C@H](C)CO 512a_100138425928_100000737577 [0,1,0,0,0,1|2,0,0]=4 3850 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_100000067433_200025704644 [0,1,0,0,0,1|1,0,0]=3 3851 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_200025704644_100000067433 [0,1,0,0,0,1|1,0,0]=3 3852 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,1,0,0,0,1|1,0,1]=4 3853 B10R0.44 CCC(=CC(=O)CC(C)O)C 1458a_100020758463_100011218427 [0,1,0,0,0,1|1,0,1]=4 3854 B10R0.44 CCC(=CC(=O)NC(C)C)C 11a_100138425928_100020758463 [0,1,0,0,0,1|1,0,1]=4 3855 B10R0.44 CCC(=CC(=O)NC(C)C)C 1626a_100138425928_100020758463 [0,1,0,0,0,1|1,0,1]=4 3856 B10R0.44 CCC(=CC(=O)NC(C)C)C 240690a_100138425928_100020758463 [0,1,0,0,0,1|1,0,1]=4 3857 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,1,0,0,0,1|1,0,1]=4 3858 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,1,0,0,0,1|1,0,1]=4 3859 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,1,0,0,0,1|1,0,1]=4 3860 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,1,0,0,0,1|1,0,1]=4 3861 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,1,0,0,0,1|1,0,0]=3 3862 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,1,0,0,0,1|1,0,0]=3 3863 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,1,0,0,0,1|1,0,0]=3 3864 B10R0.44 CCC(C)CC(=O)CC(F)F 1458a_100000708755_100011934356 [0,1,0,0,0,1|2,0,0]=4 3865 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [0,1,0,0,0,1|2,0,0]=4 3866 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,1,0,0,0,1|1,0,0]=3 3867 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [0,1,0,0,0,1|2,0,0]=4 3868 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,1,0,0,0,1|1,0,0]=3 3869 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,1,0,0,0,1|1,0,0]=3 3870 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,1,0,0,0,1|1,0,0]=3 3871 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,1,0,0,0,1|1,0,0]=3 3872 B10R0.44 CCC(C)NC(=O)C=C(C)C 11a_100000209981_100000211388 [0,1,0,0,0,1|1,0,1]=4 3873 B10R0.44 CCC(C)NC(=O)C=C(C)C 1626a_100000209981_100000211388 [0,1,0,0,0,1|1,0,1]=4 3874 B10R0.44 CCC(C)NC(=O)C=C(C)C 240690a_100000209981_100000211388 [0,1,0,0,0,1|1,0,1]=4 3875 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 11a_100000209981_200042562850 [0,1,0,0,0,1|1,0,1]=4 3876 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 1626a_100000209981_200042562850 [0,1,0,0,0,1|1,0,1]=4 3877 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 240690a_100000209981_200042562850 [0,1,0,0,0,1|1,0,1]=4 3878 B10R0.44 CCC(C)NC(=O)C=C(C)I 11a_100000209981_100025716642 [0,1,0,0,0,1|1,0,1]=4 3879 B10R0.44 CCC(C)NC(=O)C=C(C)I 1626a_100000209981_100025716642 [0,1,0,0,0,1|1,0,1]=4 3880 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,1,0,0,0,1|1,0,1]=4 3881 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [0,1,0,0,0,1|1,0,0]=3 3882 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [0,1,0,0,0,1|1,0,0]=3 3883 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [0,1,0,0,0,1|1,0,0]=3 3884 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [0,1,0,0,0,1|1,0,0]=3 3885 B10R0.44 CCC(C)NC(=O)CN(C)C 11a_100000209981_100000750896 [0,1,0,0,0,1|2,0,0]=4 3886 B10R0.44 CCC(C)NC(=O)CN(C)C 2230a_100102631434_100000182745 [0,1,0,0,0,1|2,0,0]=4 3887 B10R0.44 CCC(C)NC(=O)CN(C)C 240690a_100000209981_100000750896 [0,1,0,0,0,1|2,0,0]=4 3888 B10R0.44 CCC(C)NC(=O)CN(C)C 269982a_100102631434_100000182745 [0,1,0,0,0,1|2,0,0]=4 3889 B10R0.44 CCC(C)NC(=O)CN(C)C 527a_100000209981_100000750896 [0,1,0,0,0,1|2,0,0]=4 3890 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [0,1,0,0,0,1|1,0,0]=3 3891 B10R0.44 CCC(C)NC(=O)C[S+](C)C 11a_100000209981_200159257847 [0,1,0,0,0,1|2,0,0]=4 3892 B10R0.44 CCC(C)NC(=O)C[S+](C)C 1626a_100000209981_200159257847 [0,1,0,0,0,1|2,0,0]=4 3893 B10R0.44 CCC(C)NC(=O)C[S+](C)C 240690a_100000209981_200159257847 [0,1,0,0,0,1|2,0,0]=4 3894 B10R0.44 CCC(C)NC(=O)C[S+](C)C 527a_100000209981_200159257847 [0,1,0,0,0,1|2,0,0]=4 3895 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100000209981_100138425928 [0,1,0,0,0,1|1,0,0]=3 3896 B10R0.44 CCC(C)NC(=O)NC(C)C 2708a_100138425928_100000209981 [0,1,0,0,0,1|1,0,0]=3 3897 B10R0.44 CCC(C)NC(=O)NC(C)C 273464a_100138425928_100000209981 [0,1,0,0,0,1|1,0,0]=3 3898 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100000209981_100138425928 [0,1,0,0,0,1|1,0,0]=3 3899 B10R0.44 CCC(C)NC(=O)NC(C)C 512a_100138425928_100000209981 [0,1,0,0,0,1|1,0,0]=3 3900 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,1,0,0,0,1|2,0,0]=4 3901 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,1,0,0,0,1|2,0,0]=4 3902 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,1,0,0,0,1|2,0,0]=4 3903 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,1,0,0,0,1|2,0,0]=4 3904 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,1,0,0,0,1|2,0,0]=4 3905 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,1,0,0,0,1|2,0,0]=4 3906 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [0,1,0,0,0,1|2,0,0]=4 3907 B10R0.44 CCN(C)CC(=O)CC(C)O 1458a_100116209913_100011218427 [0,1,0,0,0,1|2,0,0]=4 3908 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210202 [0,1,0,0,0,1|2,0,0]=4 3909 B10R0.44 CCN(C)CC(=O)NC(C)C 2230a_100000225621_100000183996 [0,1,0,0,0,1|2,0,0]=4 3910 B10R0.44 CCN(C)CC(=O)NC(C)C 240690a_100138425928_100116209913 [0,1,0,0,0,1|2,0,0]=4 3911 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000168146_100000204670 [0,1,0,0,0,1|2,0,0]=4 3912 B10R0.44 CCN(C)CC(=O)NC(C)C 269982a_100000225621_100000183996 [0,1,0,0,0,1|2,0,0]=4 3913 B10R0.44 CCN(C)CC(=O)NC(C)C 527a_100138425928_100116209913 [0,1,0,0,0,1|2,0,0]=4 3914 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [0,1,0,0,0,1|1,0,0]=3 3915 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [0,1,0,0,0,1|1,0,0]=3 3916 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,1,0,0,0,1|1,0,1]=4 3917 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,1,0,0,0,1|1,0,1]=4 3918 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,1,0,0,0,1|1,0,1]=4 3919 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,1,0,0,0,1|1,0,0]=3 3920 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [0,1,0,0,0,1|2,0,0]=4 3921 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,1,0,0,0,1|1,0,0]=3 3922 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [0,1,0,0,0,1|2,0,0]=4 3923 B10R0.44 CNC(C)OC(=O)OC(C)C 7a_106832991635_100000067433 [0,1,0,0,0,1|1,0,0]=3 3924 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_100000067433_200000210301 [0,1,0,0,0,1|1,0,0]=3 3925 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_200000210301_100000067433 [0,1,0,0,0,1|1,0,0]=3 3926 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [0,1,0,0,0,1|2,0,0]=4 3927 B10R0.44 C[C@H](CF)NC(=O)C[C@@H](C)O 240690a_100102880703_100011933948 [0,1,0,0,0,1|2,0,0]=4 3928 B10R0.44 C[C@H](CO)NC(=O)C[C@@H](C)O 240690a_100000737577_100011933948 [0,1,0,0,0,1|2,0,0]=4 3929 B10R0.46 C/C=C(\C)/C(=O)CC(C)CC 1458a_100020587367_100000748023 [0,1,0,0,0,1|1,0,1]=4 3930 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_100020587367_100009816398 [0,1,0,0,0,1|1,0,1]=4 3931 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 11a_100000209981_100020587367 [0,1,0,0,0,1|1,0,1]=4 3932 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 1626a_100000209981_100020587367 [0,1,0,0,0,1|1,0,1]=4 3933 B10R0.46 CCC(=CC(=O)C(C)CC)C 1458a_100020758463_100000758301 [0,1,0,0,0,1|1,0,1]=4 3934 B10R0.46 CCC(=CC(=O)N(C)CC)C 11a_100000225621_100020758463 [0,1,0,0,0,1|1,0,1]=4 3935 B10R0.46 CCC(=CC(=O)N(C)CC)C 1626a_100000225621_100020758463 [0,1,0,0,0,1|1,0,1]=4 3936 B10R0.46 CCC(=CC(=O)N(C)CC)C 240690a_100000225621_100020758463 [0,1,0,0,0,1|1,0,1]=4 3937 B10R0.46 CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210202 [0,1,0,0,0,1|1,0,0]=3 3938 B10R0.46 CCC(C)C(=O)CN(C)CC 1458a_100116209913_100000758301 [0,1,0,0,0,1|2,0,0]=4 3939 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [0,1,0,0,0,1|1,0,0]=3 3940 B10R0.46 CCC(C)C(=O)C[C@@H](C)CO 1458a_100011192722_100000059175 [0,1,0,0,0,1|2,0,0]=4 3941 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 11a_100102880703_100011192722 [0,1,0,0,0,1|2,0,0]=4 3942 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100011192722 [0,1,0,0,0,1|2,0,0]=4 3943 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100011192722 [0,1,0,0,0,1|2,0,0]=4 3944 B10R0.46 CCC(C)C(=O)N[C@H](C)CF 527a_100102880703_100011192722 [0,1,0,0,0,1|2,0,0]=4 3945 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100011192722 [0,1,0,0,0,1|2,0,0]=4 3946 B10R0.46 CCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100011192722 [0,1,0,0,0,1|2,0,0]=4 3947 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,1,0,0,0,1|2,0,0]=4 3948 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [0,1,0,0,0,1|1,0,0]=3 3949 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [0,1,0,0,0,1|1,0,0]=3 3950 B10R0.46 CCC(C)CC(=O)C(C)OC 1458a_100000743197_100000748023 [0,1,0,0,0,1|2,0,0]=4 3951 B10R0.46 CCC(C)CC(=O)C(C)SC 1458a_100000149566_100000748023 [0,1,0,0,0,1|2,0,0]=4 3952 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,1,0,0,0,1|1,0,0]=3 3953 B10R0.46 CCC(C)CC(=O)C(O)CO 1458a_100011215603_100000748023 [0,1,0,0,0,1|2,0,0]=4 3954 B10R0.46 CCC(C)CC(=O)N(C)CC 11a_100000225621_100000708755 [0,1,0,0,0,1|1,0,0]=3 3955 B10R0.46 CCC(C)CC(=O)N(C)CC 1626a_100000225621_100000708755 [0,1,0,0,0,1|1,0,0]=3 3956 B10R0.46 CCC(C)CC(=O)N(C)CC 240690a_100000225621_100000708755 [0,1,0,0,0,1|1,0,0]=3 3957 B10R0.46 CCC(C)CC(=O)N(C)CC 527a_100000225621_100000708755 [0,1,0,0,0,1|1,0,0]=3 3958 B10R0.46 CCC(C)NC(=O)C(=O)CF 1458a_200011297154_100015361967 [0,1,0,0,0,1|2,0,0]=4 3959 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100000209981_100011218921 [0,1,0,0,0,1|2,0,0]=4 3960 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100102657272_200011297154 [0,1,0,0,0,1|2,0,0]=4 3961 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100000209981_100011218921 [0,1,0,0,0,1|2,0,0]=4 3962 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100102657272_200011297154 [0,1,0,0,0,1|2,0,0]=4 3963 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100000209981_100011218921 [0,1,0,0,0,1|2,0,0]=4 3964 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100102657272_200011297154 [0,1,0,0,0,1|2,0,0]=4 3965 B10R0.46 CCC(C)NC(=O)C(=O)OC 11a_100000209981_100000024059 [0,1,0,0,0,1|2,0,0]=4 3966 B10R0.46 CCC(C)NC(=O)C(=O)OC 1626a_100000209981_100000024059 [0,1,0,0,0,1|2,0,0]=4 3967 B10R0.46 CCC(C)NC(=O)C(=O)OC 240690a_100000209981_100000024059 [0,1,0,0,0,1|2,0,0]=4 3968 B10R0.46 CCC(C)NC(=O)C(=O)OC 527a_100000209981_100000024059 [0,1,0,0,0,1|2,0,0]=4 3969 B10R0.46 CCC(C)NC(=O)C(C)CC 11a_100000209981_100011192722 [0,1,0,0,0,1|1,0,0]=3 3970 B10R0.46 CCC(C)NC(=O)C(C)CC 1626a_100000209981_100011192722 [0,1,0,0,0,1|1,0,0]=3 3971 B10R0.46 CCC(C)NC(=O)C(C)CC 240690a_100000209981_100011192722 [0,1,0,0,0,1|1,0,0]=3 3972 B10R0.46 CCC(C)NC(=O)C(C)CC 527a_100000209981_100011192722 [0,1,0,0,0,1|1,0,0]=3 3973 B10R0.46 CCC(C)NC(=O)C(C)NC 2230a_106832991635_100000735909 [0,1,0,0,0,1|2,0,0]=4 3974 B10R0.46 CCC(C)NC(=O)C(C)NC 7a_106832991635_100000735909 [0,1,0,0,0,1|2,0,0]=4 3975 B10R0.46 CCC(C)NC(=O)C(C)OC 11a_100000209981_100000743197 [0,1,0,0,0,1|2,0,0]=4 3976 B10R0.46 CCC(C)NC(=O)C(C)OC 1626a_100000209981_100000743197 [0,1,0,0,0,1|2,0,0]=4 3977 B10R0.46 CCC(C)NC(=O)C(C)OC 240690a_100000209981_100000743197 [0,1,0,0,0,1|2,0,0]=4 3978 B10R0.46 CCC(C)NC(=O)C(C)OC 527a_100000209981_100000743197 [0,1,0,0,0,1|2,0,0]=4 3979 B10R0.46 CCC(C)NC(=O)C(C)SC 11a_100000209981_100000149566 [0,1,0,0,0,1|2,0,0]=4 3980 B10R0.46 CCC(C)NC(=O)C(C)SC 1626a_100000209981_100000149566 [0,1,0,0,0,1|2,0,0]=4 3981 B10R0.46 CCC(C)NC(=O)C(C)SC 240690a_100000209981_100000149566 [0,1,0,0,0,1|2,0,0]=4 3982 B10R0.46 CCC(C)NC(=O)C(C)SC 527a_100000209981_100000149566 [0,1,0,0,0,1|2,0,0]=4 3983 B10R0.46 CCC(C)NC(=O)C(C)SC 62a_100000735909_200000210301 [0,1,0,0,0,1|2,0,0]=4 3984 B10R0.46 CCC(C)NC(=O)C(C)SC 62a_200000210301_100000735909 [0,1,0,0,0,1|2,0,0]=4 3985 B10R0.46 CCC(C)NC(=O)C(C)S[13CH3] 62a_100000735909_200025704644 [0,1,0,0,0,1|2,0,0]=4 3986 B10R0.46 CCC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000735909 [0,1,0,0,0,1|2,0,0]=4 3987 B10R0.46 CCC(C)NC(=O)C(O)CC 240690a_100000209981_100011196387 [0,1,0,0,0,1|1,0,0]=3 3988 B10R0.46 CCC(C)NC(=O)C(O)CO 240690a_100000209981_100011215603 [0,1,0,0,0,1|2,0,0]=4 3989 B10R0.46 CCC(C)NC(=O)N(C)CC 2708a_100000209981_100000225621 [0,1,0,0,0,1|1,0,0]=3 3990 B10R0.46 CCC(C)NC(=O)N(C)CC 273464a_100000209981_100000225621 [0,1,0,0,0,1|1,0,0]=3 3991 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,1,0,0,0,1|1,0,0]=3 3992 B10R0.46 CCC(O)C(=O)C[C@@H](C)CO 1458a_100011196387_100000059175 [0,1,0,0,0,1|2,0,0]=4 3993 B10R0.46 CCC(O)C(=O)N[C@H](C)CF 240690a_100102880703_100011196387 [0,1,0,0,0,1|2,0,0]=4 3994 B10R0.46 CCC(O)C(=O)N[C@H](C)CO 240690a_100000737577_100011196387 [0,1,0,0,0,1|2,0,0]=4 3995 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,1,0,0,0,1|2,0,0]=4 3996 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,1,0,0,0,1|2,0,0]=4 3997 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,1,0,0,0,1|2,0,0]=4 3998 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [0,1,0,0,0,1|2,0,0]=4 3999 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [0,1,0,0,0,1|2,0,0]=4 4000 B10R0.46 CCN(C)C(=O)N[C@H](C)CF 273464a_100102880703_100000225621 [0,1,0,0,0,1|2,0,0]=4 4001 B10R0.46 CCN(C)C(=O)N[C@H](C)CO 273464a_100000737577_100000225621 [0,1,0,0,0,1|2,0,0]=4 4002 B10R0.46 CCN(C)CC(=O)N(C)CC 2230a_100000225621_100000738999 [0,1,0,0,0,1|2,0,0]=4 4003 B10R0.46 CCN(C)CC(=O)N(C)CC 240690a_100000225621_100116209913 [0,1,0,0,0,1|2,0,0]=4 4004 B10R0.46 CCN(C)CC(=O)N(C)CC 269982a_100000225621_100000738999 [0,1,0,0,0,1|2,0,0]=4 4005 B10R0.46 CCN(C)CC(=O)N(C)CC 527a_100000225621_100116209913 [0,1,0,0,0,1|2,0,0]=4 4006 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,1,0,0,0,1|2,0,0]=4 4007 B10R0.46 CC[C@H](C)CC(=O)C(C)OC 1458a_100000743197_100009816398 [0,1,0,0,0,1|2,0,0]=4 4008 B10R0.46 CC[C@H](C)CC(=O)C(C)SC 1458a_100000149566_100009816398 [0,1,0,0,0,1|2,0,0]=4 4009 B10R0.46 CC[C@H](C)CC(=O)C(O)CO 1458a_100011215603_100009816398 [0,1,0,0,0,1|2,0,0]=4 4010 B10R0.148 CCCS(=O)(=O)NC(C)CC 270084a_100000209981_100000211391 [0,1,0,0,0,1|2,0,0]=4 4011 B10R0.148 CCCS(=O)(=O)NC(C)CC 274078a_100000209981_100000211391 [0,1,0,0,0,1|2,0,0]=4 4012 B10R0.148 CCCS(=O)(=O)NC(C)CC 40a_100000209981_100000054278 [0,1,0,0,0,1|2,0,0]=4 4013 B10R0.13 C=C(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000748629 [0,2,0,0,0,0|1,0,1]=4 4014 B10R0.13 CC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000179758 [0,2,0,0,0,0|1,0,1]=4 4015 B10R0.13 CC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000179758 [0,2,0,0,0,0|1,0,1]=4 4016 B10R0.13 CC(=O)C(C)C(=O)NC(C)C 1458a_100000070787_100000195394 [0,2,0,0,0,0|1,0,1]=4 4017 B10R0.13 CC(C)C(C)C(=O)CC(F)F 1458a_100000755409_100011934356 [0,2,0,0,0,0|2,0,0]=4 4018 B10R0.13 CC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000210624 [0,2,0,0,0,0|1,0,0]=3 4019 B10R0.13 CC(C)CC(=O)N(C)C(C)C 11a_200000211004_100000210554 [0,2,0,0,0,0|2,0,0]=4 4020 B10R0.13 CC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100000210554 [0,2,0,0,0,0|2,0,0]=4 4021 B10R0.13 CC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100000210554 [0,2,0,0,0,0|2,0,0]=4 4022 B10R0.13 CC(C)CC(=O)N(C)C(C)C 527a_200000211004_100000210554 [0,2,0,0,0,0|2,0,0]=4 4023 B10R0.13 CC(C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210624 [0,2,0,0,0,0|2,0,0]=4 4024 B10R0.13 CC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210624 [0,2,0,0,0,0|2,0,0]=4 4025 B10R0.13 CC(C)N(C)C(=O)C[C@@H](C)O 240690a_200000211004_100011933948 [0,2,0,0,0,0|2,0,0]=4 4026 B10R0.13 CC(C)NC(=O)C(C)C(C)C 11a_100138425928_100000755409 [0,2,0,0,0,0|1,0,0]=3 4027 B10R0.13 CC(C)NC(=O)C(C)C(C)C 1626a_100138425928_100000755409 [0,2,0,0,0,0|1,0,0]=3 4028 B10R0.13 CC(C)NC(=O)C(C)C(C)C 240690a_100138425928_100000755409 [0,2,0,0,0,0|1,0,0]=3 4029 B10R0.13 CC(C)NC(=O)C(C)C(C)C 527a_100138425928_100000755409 [0,2,0,0,0,0|1,0,0]=3 4030 B10R0.13 CC(C)NC(=O)C(C)N(C)C 2230a_100102631434_100000195394 [0,2,0,0,0,0|2,0,0]=4 4031 B10R0.13 CC(C)NC(=O)C(C)N(C)C 269982a_100102631434_100000195394 [0,2,0,0,0,0|2,0,0]=4 4032 B10R0.13 CC(C)NC(=O)N(C)C(C)C 2708a_100138425928_200000211004 [0,2,0,0,0,0|2,0,0]=4 4033 B10R0.13 CC(C)NC(=O)N(C)C(C)C 273464a_100138425928_200000211004 [0,2,0,0,0,0|2,0,0]=4 4034 B10R0.13 CC(C)NC(=O)[C@H](C)N(C)C 240690a_100138425928_100009822176 [0,2,0,0,0,0|2,0,0]=4 4035 B10R0.13 CC(C)NC(=O)[C@H](C)N(C)C 527a_100138425928_100009822176 [0,2,0,0,0,0|2,0,0]=4 4036 B10R0.13 CC(C)NC(=O)[C@H](O)C(C)C 240690a_100138425928_100000691806 [0,2,0,0,0,0|2,0,0]=4 4037 B10R0.13 CC(O)CC(=O)C(C)C(C)C 1458a_100000755409_100011218427 [0,2,0,0,0,0|1,0,0]=3 4038 B10R0.13 CC(O)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100011218427 [0,2,0,0,0,0|2,0,0]=4 4039 B10R0.13 CC(O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100011218427 [0,2,0,0,0,0|2,0,0]=4 4040 B10R0.36 CCCC(=O)C(C)(C)N(C)C 1458a_100000688961_100000210303 [0,2,0,0,0,0|2,0,0]=4 4041 B10R0.36 CCNC(=O)C(C)(C)N(C)C 240690a_100015525214_100000688961 [0,2,0,0,0,0|2,0,0]=4 4042 B10R0.36 CCNC(=O)C(C)(C)N(C)C 527a_100015525214_100000688961 [0,2,0,0,0,0|2,0,0]=4 4043 B10R0.36 CCOC(=O)C(C)(C)C(=O)C 1458a_100000694683_200000210301 [0,2,0,0,0,0|0,0,1]=3 4044 B10R0.36 CCOC(=O)C(C)(C)C(=O)[13CH3] 1458a_100000694683_200025704644 [0,2,0,0,0,0|0,0,1]=3 4045 B10R0.36 CCOC(=O)C(C)(C)N(C)C 2230a_100102631434_100011216345 [0,2,0,0,0,0|1,0,0]=3 4046 B10R0.36 CCOC(=O)C(C)(C)N(C)C 269982a_100102631434_100048669870 [0,2,0,0,0,0|1,0,0]=3 4047 B10R0.36 CCOC(=O)C(C)(O)C(=O)C 1458a_200009913003_200000210301 [0,2,0,0,0,0|0,0,1]=3 4048 B10R0.36 CCOC(=O)C(C)(O)C(=O)[13CH3] 1458a_200009913003_200025704644 [0,2,0,0,0,0|0,0,1]=3 4049 B10R0.36 CCOC(=O)C(F)(F)N(C)C 269982a_100102631434_100000210910 [0,2,0,0,0,0|2,0,0]=4 4050 B10R0.56 CCC(C)C(=O)C(=O)N(C)C 1458a_100011218876_100000758301 [0,2,0,0,0,0|2,0,0]=4 4051 B10R0.56 CCC(C)C(=O)C(C)C(=O)C 1458a_100011192722_100000179758 [0,2,0,0,0,0|1,0,1]=4 4052 B10R0.56 CCC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000758301 [0,2,0,0,0,0|1,0,0]=3 4053 B10R0.56 CCC(C)C(=O)N(C)C(C)C 11a_200000211004_100011192722 [0,2,0,0,0,0|1,0,0]=3 4054 B10R0.56 CCC(C)C(=O)N(C)C(C)C 1626a_200000211004_100011192722 [0,2,0,0,0,0|1,0,0]=3 4055 B10R0.56 CCC(C)C(=O)N(C)C(C)C 240690a_200000211004_100011192722 [0,2,0,0,0,0|1,0,0]=3 4056 B10R0.56 CCC(C)C(=O)N(C)C(C)C 527a_200000211004_100011192722 [0,2,0,0,0,0|1,0,0]=3 4057 B10R0.56 CCC(C)C(=O)[C@H](C)N(C)C 1458a_100009822176_100000758301 [0,2,0,0,0,0|2,0,0]=4 4058 B10R0.56 CCC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000758301 [0,2,0,0,0,0|1,0,0]=3 4059 B10R0.56 CCC(O)C(=O)C(C)C(=O)C 1458a_100011196387_100000179758 [0,2,0,0,0,0|1,0,1]=4 4060 B10R0.56 CCC(O)C(=O)N(C)C(C)C 240690a_200000211004_100011196387 [0,2,0,0,0,0|2,0,0]=4 4061 B10R0.56 CCN(C)C(=O)C(C)C(=O)C 1458a_100000070787_200012002205 [0,2,0,0,0,0|1,0,1]=4 4062 B10R0.56 CCN(C)C(=O)C(C)C(C)C 11a_100000225621_100000755409 [0,2,0,0,0,0|1,0,0]=3 4063 B10R0.56 CCN(C)C(=O)C(C)C(C)C 1626a_100000225621_100000755409 [0,2,0,0,0,0|1,0,0]=3 4064 B10R0.56 CCN(C)C(=O)C(C)C(C)C 240690a_100000225621_100000755409 [0,2,0,0,0,0|1,0,0]=3 4065 B10R0.56 CCN(C)C(=O)C(C)C(C)C 527a_100000225621_100000755409 [0,2,0,0,0,0|1,0,0]=3 4066 B10R0.56 CCN(C)C(=O)C(C)N(C)C 2230a_100102631434_200012002205 [0,2,0,0,0,0|2,0,0]=4 4067 B10R0.56 CCN(C)C(=O)C(C)N(C)C 269982a_100102631434_200012002205 [0,2,0,0,0,0|2,0,0]=4 4068 B10R0.56 CCN(C)C(=O)[C@H](C)N(C)C 240690a_100000225621_100009822176 [0,2,0,0,0,0|2,0,0]=4 4069 B10R0.56 CCN(C)C(=O)[C@H](C)N(C)C 527a_100000225621_100009822176 [0,2,0,0,0,0|2,0,0]=4 4070 B10R0.56 CCN(C)C(=O)[C@H](O)C(C)C 240690a_100000225621_100000691806 [0,2,0,0,0,0|2,0,0]=4 4071 B10R0.56 COC(C)C(=O)N(C)C(C)C 11a_200000211004_100000743197 [0,2,0,0,0,0|2,0,0]=4 4072 B10R0.56 COC(C)C(=O)N(C)C(C)C 1626a_200000211004_100000743197 [0,2,0,0,0,0|2,0,0]=4 4073 B10R0.56 COC(C)C(=O)N(C)C(C)C 240690a_200000211004_100000743197 [0,2,0,0,0,0|2,0,0]=4 4074 B10R0.56 COC(C)C(=O)N(C)C(C)C 527a_200000211004_100000743197 [0,2,0,0,0,0|2,0,0]=4 4075 B10R0.56 CSC(C)C(=O)N(C)C(C)C 11a_200000211004_100000149566 [0,2,0,0,0,0|2,0,0]=4 4076 B10R0.56 CSC(C)C(=O)N(C)C(C)C 1626a_200000211004_100000149566 [0,2,0,0,0,0|2,0,0]=4 4077 B10R0.56 CSC(C)C(=O)N(C)C(C)C 240690a_200000211004_100000149566 [0,2,0,0,0,0|2,0,0]=4 4078 B10R0.56 CSC(C)C(=O)N(C)C(C)C 527a_200000211004_100000149566 [0,2,0,0,0,0|2,0,0]=4 4079 B10R0.81 C#CCCC(=O)C(C)C(C)C 1458a_100000755409_100000753159 [0,2,0,0,0,0|1,0,1]=4 4080 B10R0.81 C#CCNC(=O)C(C)C(C)C 11a_100000212058_100000755409 [0,2,0,0,0,0|1,0,1]=4 4081 B10R0.81 C#CCNC(=O)C(C)C(C)C 1626a_100000212058_100000755409 [0,2,0,0,0,0|1,0,1]=4 4082 B10R0.81 C#CCNC(=O)C(C)C(C)C 240690a_100000212058_100000755409 [0,2,0,0,0,0|1,0,1]=4 4083 B10R0.81 C#CCNC(=O)C(C)C(C)C 527a_100000212058_100000755409 [0,2,0,0,0,0|1,0,1]=4 4084 B10R0.81 C/C=C/CC(=O)C(C)C(C)C 1458a_100000755409_100102629194 [0,2,0,0,0,0|1,0,1]=4 4085 B10R0.81 C=CCCC(=O)C(C)C(C)C 1458a_100000755409_100000754431 [0,2,0,0,0,0|1,0,1]=4 4086 B10R0.81 C=CCNC(=O)C(C)C(C)C 1626a_100020586998_100000755409 [0,2,0,0,0,0|1,0,1]=4 4087 B10R0.81 C=CCNC(=O)C(C)C(C)C 240690a_100020586998_100000755409 [0,2,0,0,0,0|1,0,1]=4 4088 B10R0.81 C=CCNC(=O)C(C)C(C)C 527a_100020586998_100000755409 [0,2,0,0,0,0|1,0,1]=4 4089 B10R0.81 CC#CCC(=O)C(C)C(C)C 1458a_100000755409_100000748600 [0,2,0,0,0,0|1,0,1]=4 4090 B10R0.81 CC(C)C(C)C(=O)CCC#N 1458a_100000755409_100011215226 [0,2,0,0,0,0|1,0,1]=4 4091 B10R0.81 CC(C)C(C)C(=O)CCCF 1458a_100000755409_100011934791 [0,2,0,0,0,0|1,0,0]=3 4092 B10R0.81 CC(C)C(C)C(=O)CCCO 1458a_100000755409_100011215043 [0,2,0,0,0,0|1,0,0]=3 4093 B10R0.81 CC(C)C(C)C(=O)NCC#N 1626a_100000734998_100000755409 [0,2,0,0,0,0|1,0,1]=4 4094 B10R0.81 CC(C)C(C)C(=O)NCC#N 527a_100000734998_100000755409 [0,2,0,0,0,0|1,0,1]=4 4095 B10R0.81 CC(C)C(C)C(=O)NCCF 11a_100000724931_100000755409 [0,2,0,0,0,0|1,0,0]=3 4096 B10R0.81 CC(C)C(C)C(=O)NCCF 1626a_100000724931_100000755409 [0,2,0,0,0,0|1,0,0]=3 4097 B10R0.81 CC(C)C(C)C(=O)NCCF 240690a_100000724931_100000755409 [0,2,0,0,0,0|1,0,0]=3 4098 B10R0.81 CC(C)C(C)C(=O)NCCF 527a_100000724931_100000755409 [0,2,0,0,0,0|1,0,0]=3 4099 B10R0.81 CC(C)C(C)C(=O)NCCO 240690a_100000210304_100000755409 [0,2,0,0,0,0|1,0,0]=3 4100 B10R0.81 CC(C)C(C)C(=O)NCCO 527a_100000210304_100000755409 [0,2,0,0,0,0|1,0,0]=3 4101 B10R0.81 CC(C)N(C)C(=O)NCCF 273464a_100000724931_200000211004 [0,2,0,0,0,0|2,0,0]=4 4102 B10R0.81 CC(C)N(C)C(=O)NCCO 273464a_100000210304_200000211004 [0,2,0,0,0,0|2,0,0]=4 4103 B10R0.81 CC(C)[C@@H](O)C(=O)CCCF 1458a_100000691806_100011934791 [0,2,0,0,0,0|2,0,0]=4 4104 B10R0.81 CC(C)[C@@H](O)C(=O)CCCO 1458a_100000691806_100011215043 [0,2,0,0,0,0|2,0,0]=4 4105 B10R0.81 CC(C)[C@@H](O)C(=O)NCCF 240690a_100000724931_100000691806 [0,2,0,0,0,0|2,0,0]=4 4106 B10R0.81 CC(C)[C@@H](O)C(=O)NCCO 240690a_100000210304_100000691806 [0,2,0,0,0,0|2,0,0]=4 4107 B10R0.81 CC=CCC(=O)C(C)C(C)C 1458a_100000755409_100000070051 [0,2,0,0,0,0|1,0,1]=4 4108 B10R0.81 CCC#CC(=O)C(C)C(=O)C 1458a_100011827653_100000179758 [0,2,0,0,0,0|1,0,1]=4 4109 B10R0.81 CCC=CC(=O)C(C)C(=O)C 1458a_100000212282_100000179758 [0,2,0,0,0,0|1,0,1]=4 4110 B10R0.81 CCC=CC(=O)N(C)C(C)C 11a_200000211004_100000212282 [0,2,0,0,0,0|2,0,0]=4 4111 B10R0.81 CCC=CC(=O)N(C)C(C)C 1626a_200000211004_100000212282 [0,2,0,0,0,0|2,0,0]=4 4112 B10R0.81 CCC=CC(=O)N(C)C(C)C 240690a_200000211004_100000212282 [0,2,0,0,0,0|2,0,0]=4 4113 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,2,0,0,0,0|1,0,1]=4 4114 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,2,0,0,0,0|1,0,0]=3 4115 B10R0.81 CCCCC(=O)N(C)C(C)C 11a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 4116 B10R0.81 CCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 4117 B10R0.81 CCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 4118 B10R0.81 CCCCC(=O)N(C)C(C)C 527a_200000211004_100000210183 [0,2,0,0,0,0|2,0,0]=4 4119 B10R0.81 CCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210211 [0,2,0,0,0,0|2,0,0]=4 4120 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,2,0,0,0,0|2,0,0]=4 4121 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [0,2,0,0,0,0|1,0,1]=4 4122 B10R0.81 CCCNC(=O)C(C)C(C)C 11a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 4123 B10R0.81 CCCNC(=O)C(C)C(C)C 1626a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 4124 B10R0.81 CCCNC(=O)C(C)C(C)C 240690a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 4125 B10R0.81 CCCNC(=O)C(C)C(C)C 527a_100020643023_100000755409 [0,2,0,0,0,0|1,0,0]=3 4126 B10R0.81 CCCNC(=O)C(C)N(C)C 2230a_100102631434_100000230305 [0,2,0,0,0,0|2,0,0]=4 4127 B10R0.81 CCCNC(=O)C(C)N(C)C 269982a_100102631434_100000230305 [0,2,0,0,0,0|2,0,0]=4 4128 B10R0.81 CCCNC(=O)N(C)C(C)C 2708a_100020643023_200000211004 [0,2,0,0,0,0|2,0,0]=4 4129 B10R0.81 CCCNC(=O)N(C)C(C)C 273464a_100020643023_200000211004 [0,2,0,0,0,0|2,0,0]=4 4130 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 240690a_100020643023_100009822176 [0,2,0,0,0,0|2,0,0]=4 4131 B10R0.81 CCCNC(=O)[C@H](C)N(C)C 527a_100020643023_100009822176 [0,2,0,0,0,0|2,0,0]=4 4132 B10R0.81 CCCNC(=O)[C@H](O)C(C)C 240690a_100020643023_100000691806 [0,2,0,0,0,0|2,0,0]=4 4133 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,2,0,0,0,0|0,0,1]=3 4134 B10R0.81 CCCOC(=O)C(C)N(C)C 2230a_100102631434_100000760410 [0,2,0,0,0,0|1,0,0]=3 4135 B10R0.81 CCCOC(=O)C(C)N(C)C 269982a_100102631434_100000760410 [0,2,0,0,0,0|1,0,0]=3 4136 B10R0.81 CCNCC(=O)N(C)C(C)C 2230a_100015525214_100000230190 [0,2,0,0,0,0|2,0,0]=4 4137 B10R0.81 CCNNC(=O)C(C)C(C)C 22a_100000756455_100000755409 [0,2,0,0,0,0|1,0,0]=3 4138 B10R0.81 CCNNC(=O)[C@H](C)N(C)C 22a_100000756455_100009822176 [0,2,0,0,0,0|2,0,0]=4 4139 B10R0.81 CCNNC(=O)[C@H](O)C(C)C 22a_100000756455_100000691806 [0,2,0,0,0,0|2,0,0]=4 4140 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,2,0,0,0,0|0,0,1]=3 4141 B10R0.81 CCOCC(=O)C(C)C(=O)N 1458a_100000211967_100000702099 [0,2,0,0,0,0|1,0,1]=4 4142 B10R0.81 CCOCC(=O)N(C)C(C)C 11a_200000211004_100000211967 [0,2,0,0,0,0|1,0,0]=3 4143 B10R0.81 CCOCC(=O)N(C)C(C)C 1626a_200000211004_100000211967 [0,2,0,0,0,0|1,0,0]=3 4144 B10R0.81 CCOCC(=O)N(C)C(C)C 240690a_200000211004_100000211967 [0,2,0,0,0,0|1,0,0]=3 4145 B10R0.81 CCOCC(=O)N(C)C(C)C 34a_100121572206_100000230190 [0,2,0,0,0,0|1,0,0]=3 4146 B10R0.81 CCOCC(=O)N(C)C(C)C 527a_200000211004_100000211967 [0,2,0,0,0,0|1,0,0]=3 4147 B10R0.81 CCOCN(C)C(C)C(C)C 269982a_100000228512_100000739092 [0,2,0,0,0,0|2,0,0]=4 4148 B10R0.81 CCSCC(=O)C(C)C(=O)C 1458a_100000230394_100000179758 [0,2,0,0,0,0|0,1,1]=4 4149 B10R0.81 CCSCC(=O)N(C)C(C)C 11a_200000211004_100000230394 [0,2,0,0,0,0|1,1,0]=4 4150 B10R0.81 CCSCC(=O)N(C)C(C)C 1626a_200000211004_100000230394 [0,2,0,0,0,0|1,1,0]=4 4151 B10R0.81 CCSCC(=O)N(C)C(C)C 240690a_200000211004_100000230394 [0,2,0,0,0,0|1,1,0]=4 4152 B10R0.81 CCSCC(=O)N(C)C(C)C 527a_200000211004_100000230394 [0,2,0,0,0,0|1,1,0]=4 4153 B10R0.81 CCSCC(=O)N(C)C(C)C 62a_100000210202_100000230190 [0,2,0,0,0,0|1,1,0]=4 4154 B10R0.81 CCSCC(=O)N(C)C(C)C 62a_100000230190_100000210202 [0,2,0,0,0,0|1,1,0]=4 4155 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [0,2,0,0,0,0|1,0,1]=4 4156 B10R0.81 COCCC(=O)C(C)C(C)C 1458a_100000755409_100000233755 [0,2,0,0,0,0|1,0,0]=3 4157 B10R0.81 COCCC(=O)N(C)C(C)C 11a_200000211004_100000749529 [0,2,0,0,0,0|2,0,0]=4 4158 B10R0.81 COCCC(=O)N(C)C(C)C 1626a_200000211004_100000749529 [0,2,0,0,0,0|2,0,0]=4 4159 B10R0.81 COCCC(=O)N(C)C(C)C 240690a_200000211004_100000749529 [0,2,0,0,0,0|2,0,0]=4 4160 B10R0.81 COCCC(=O)N(C)C(C)C 527a_200000211004_100000749529 [0,2,0,0,0,0|2,0,0]=4 4161 B10R0.81 COCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000233755 [0,2,0,0,0,0|2,0,0]=4 4162 B10R0.81 COCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000233755 [0,2,0,0,0,0|2,0,0]=4 4163 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,2,0,0,0,0|1,0,1]=4 4164 B10R0.81 CSCCC(=O)C(C)C(C)C 1458a_100000755409_100000751147 [0,2,0,0,0,0|1,0,0]=3 4165 B10R0.81 CSCCC(=O)N(C)C(C)C 11a_200000211004_100000174002 [0,2,0,0,0,0|2,0,0]=4 4166 B10R0.81 CSCCC(=O)N(C)C(C)C 1626a_200000211004_100000174002 [0,2,0,0,0,0|2,0,0]=4 4167 B10R0.81 CSCCC(=O)N(C)C(C)C 240690a_200000211004_100000174002 [0,2,0,0,0,0|2,0,0]=4 4168 B10R0.81 CSCCC(=O)N(C)C(C)C 527a_200000211004_100000174002 [0,2,0,0,0,0|2,0,0]=4 4169 B10R0.81 CSCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000751147 [0,2,0,0,0,0|2,0,0]=4 4170 B10R0.81 CSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000751147 [0,2,0,0,0,0|2,0,0]=4 4171 B10R0.81 C[C@@H](C(=O)CCCF)N(C)C 1458a_100009822176_100011934791 [0,2,0,0,0,0|2,0,0]=4 4172 B10R0.81 C[C@@H](C(=O)CCCO)N(C)C 1458a_100009822176_100011215043 [0,2,0,0,0,0|2,0,0]=4 4173 B10R0.81 C[C@@H](C(=O)NCCF)N(C)C 240690a_100000724931_100009822176 [0,2,0,0,0,0|2,0,0]=4 4174 B10R0.81 C[C@@H](C(=O)NCCF)N(C)C 527a_100000724931_100009822176 [0,2,0,0,0,0|2,0,0]=4 4175 B10R0.81 C[C@@H](C(=O)NCCO)N(C)C 240690a_100000210304_100009822176 [0,2,0,0,0,0|2,0,0]=4 4176 B10R0.81 C[C@@H](C(=O)NCCO)N(C)C 527a_100000210304_100009822176 [0,2,0,0,0,0|2,0,0]=4 4177 B10R0.100 CCCC(=O)C(C)C(F)(F)F 1458a_100000137572_100000210303 [0,2,0,0,0,0|2,0,0]=4 4178 B10R0.100 CCCC(=O)N(C)C(C)(C)C 11a_100011215553_100000211992 [0,2,0,0,0,0|2,0,0]=4 4179 B10R0.100 CCCC(=O)N(C)C(C)(C)C 1626a_100011215553_100000211992 [0,2,0,0,0,0|2,0,0]=4 4180 B10R0.100 CCCC(=O)N(C)C(C)(C)C 240690a_100011215553_100000211992 [0,2,0,0,0,0|2,0,0]=4 4181 B10R0.100 CCCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210303 [0,2,0,0,0,0|2,0,0]=4 4182 B10R0.100 CCNC(=O)C(C)C(F)(F)F 11a_100015525214_100000137572 [0,2,0,0,0,0|2,0,0]=4 4183 B10R0.100 CCNC(=O)C(C)C(F)(F)F 240690a_100015525214_100000137572 [0,2,0,0,0,0|2,0,0]=4 4184 B10R0.100 CCNC(=O)C(C)C(F)(F)F 527a_100015525214_100000137572 [0,2,0,0,0,0|2,0,0]=4 4185 B10R0.100 CCNC(=O)N(C)C(C)(C)C 2708a_100015525214_100011215553 [0,2,0,0,0,0|2,0,0]=4 4186 B10R0.100 CCNC(=O)N(C)C(C)(C)C 273464a_100015525214_100011215553 [0,2,0,0,0,0|2,0,0]=4 4187 B10R0.100 CCNC(=O)[C@@H](O)C(C)(C)C 240690a_100015525214_100009816492 [0,2,0,0,0,0|2,0,0]=4 4188 B10R0.101 CCC(C(=O)CCF)N(C)C 1458a_100000689100_100011217306 [0,2,0,0,0,0|2,0,0]=4 4189 B10R0.101 CCC(C(=O)CCO)N(C)C 1458a_100000689100_100000211926 [0,2,0,0,0,0|2,0,0]=4 4190 B10R0.101 CCC(C(=O)NNC)N(C)C 22a_100016993582_100000689100 [0,2,0,0,0,0|2,0,0]=4 4191 B10R0.101 CCCC(=O)C(CC)C(=O)N 1458a_100000211992_100000750255 [0,2,0,0,0,0|1,0,1]=4 4192 B10R0.101 CCCC(=O)C(CC)N(C)C 1458a_100000689100_100000210303 [0,2,0,0,0,0|1,0,0]=3 4193 B10R0.101 CCCC(=O)N(CC)C(C)C 11a_100000223864_100000211992 [0,2,0,0,0,0|2,0,0]=4 4194 B10R0.101 CCCC(=O)N(CC)C(C)C 1626a_100000223864_100000211992 [0,2,0,0,0,0|2,0,0]=4 4195 B10R0.101 CCCC(=O)N(CC)C(C)C 240690a_100000223864_100000211992 [0,2,0,0,0,0|2,0,0]=4 4196 B10R0.101 CCCC(=O)N(CC)C(C)C 527a_100000223864_100000211992 [0,2,0,0,0,0|2,0,0]=4 4197 B10R0.101 CCNC(=O)C(CC)N(C)C 240690a_100015525214_100000689100 [0,2,0,0,0,0|1,0,0]=3 4198 B10R0.101 CCNC(=O)C(CC)N(C)C 527a_100015525214_100000689100 [0,2,0,0,0,0|1,0,0]=3 4199 B10R0.101 CCNC(=O)N(CC)C(C)C 2708a_100015525214_100000223864 [0,2,0,0,0,0|2,0,0]=4 4200 B10R0.101 CCNC(=O)N(CC)C(C)C 273464a_100015525214_100000223864 [0,2,0,0,0,0|2,0,0]=4 4201 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [0,2,0,0,0,0|0,0,0]=2 4202 B10R0.101 CCOC(=O)C(CC)N(C)C 2230a_100102631434_100000212269 [0,2,0,0,0,0|0,0,0]=2 4203 B10R0.101 CCOC(=O)C(CC)N(C)C 269982a_100102631434_100000212269 [0,2,0,0,0,0|0,0,0]=2 4204 B10R0.101 CCOC(=O)C(NC)C(=O)C 34a_100102657272_100009831564 [0,2,0,0,0,0|0,0,1]=3 4205 B10R0.101 CCOC(=O)C(NC)C(C)C 34a_100102657272_100000740032 [0,2,0,0,0,0|0,0,0]=2 4206 B10R0.101 CCOC(=O)C(NC)C(C)C 7a_106832991635_100000740032 [0,2,0,0,0,0|0,0,0]=2 4207 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [0,2,0,0,0,0|0,0,1]=3 4208 B10R0.101 CCOC(=O)C(OC)C(C)C 34a_100138415774_100000740032 [0,2,0,0,0,0|0,0,0]=2 4209 B10R0.101 CCOC(=O)C(SC)C(=O)C 1458a_100000070787_100009893047 [0,2,0,0,0,0|0,0,1]=3 4210 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_100000211040_200000210301 [0,2,0,0,0,0|0,0,1]=3 4211 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_200000210301_100000211040 [0,2,0,0,0,0|0,0,1]=3 4212 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_100000740032_200000210301 [0,2,0,0,0,0|0,0,0]=2 4213 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_200000210301_100000740032 [0,2,0,0,0,0|0,0,0]=2 4214 B10R0.101 CCOC(=O)C(SC)N(C)C 269982a_100102631434_100009893047 [0,2,0,0,0,0|1,0,0]=3 4215 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_100000211040_200025704644 [0,2,0,0,0,0|0,0,1]=3 4216 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000211040 [0,2,0,0,0,0|0,0,1]=3 4217 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_100000740032_200025704644 [0,2,0,0,0,0|0,0,0]=2 4218 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000740032 [0,2,0,0,0,0|0,0,0]=2 4219 B10R0.104 CCNS(=O)(=O)C(C)C(C)C 270084a_100015525214_100000765091 [0,2,0,0,0,0|2,0,0]=4 4220 B10R0.104 CCNS(=O)(=O)C(C)C(C)C 274078a_100015525214_100000765091 [0,2,0,0,0,0|2,0,0]=4 4221 B10R0.19 C#CCCC(=O)C(C)CCC 1458a_100000210906_100000753159 [0,2,0,0,0,0|1,0,1]=4 4222 B10R0.19 C#CCCC(=O)C(C)CCC 1458a_100000692101_100000766640 [0,2,0,0,0,0|1,0,1]=4 4223 B10R0.19 C#CCCC(=O)C(C)CCO 1458a_100000692101_100009893172 [0,2,0,0,0,0|1,0,1]=4 4224 B10R0.19 C#CCCC(=O)C(C)COC 1458a_100000692101_100000765312 [0,2,0,0,0,0|1,0,1]=4 4225 B10R0.19 C#CCCC(=O)C(C)COC 1458a_100000751857_100000753159 [0,2,0,0,0,0|1,0,1]=4 4226 B10R0.19 C#CCCC(=O)C(C)CSC 1458a_100000753918_100000753159 [0,2,0,0,0,0|1,0,1]=4 4227 B10R0.19 C#CCCC(=O)C(C)OCC 1458a_100000739345_100000753159 [0,2,0,0,0,0|1,0,1]=4 4228 B10R0.19 C#CCCC(=O)C(C)SCC 1458a_100000230601_100000753159 [0,2,0,0,0,0|1,0,1]=4 4229 B10R0.19 C#CCN(C)C(=O)COCC 11a_100000225692_100000211967 [0,2,0,0,0,0|1,0,1]=4 4230 B10R0.19 C#CCN(C)C(=O)COCC 1626a_100000225692_100000211967 [0,2,0,0,0,0|1,0,1]=4 4231 B10R0.19 C#CCN(C)C(=O)COCC 527a_100000225692_100000211967 [0,2,0,0,0,0|1,0,1]=4 4232 B10R0.19 C#CCNC(=O)C(C)CCC 11a_100000212058_100000210906 [0,2,0,0,0,0|1,0,1]=4 4233 B10R0.19 C#CCNC(=O)C(C)CCC 1626a_100000212058_100000210906 [0,2,0,0,0,0|1,0,1]=4 4234 B10R0.19 C#CCNC(=O)C(C)CCC 240690a_100000212058_100000210906 [0,2,0,0,0,0|1,0,1]=4 4235 B10R0.19 C#CCNC(=O)C(C)CCC 527a_100000212058_100000210906 [0,2,0,0,0,0|1,0,1]=4 4236 B10R0.19 C#CCNC(=O)C(C)COC 11a_100000212058_100000751857 [0,2,0,0,0,0|1,0,1]=4 4237 B10R0.19 C#CCNC(=O)C(C)COC 1626a_100000212058_100000751857 [0,2,0,0,0,0|1,0,1]=4 4238 B10R0.19 C#CCNC(=O)C(C)COC 240690a_100000212058_100000751857 [0,2,0,0,0,0|1,0,1]=4 4239 B10R0.19 C#CCNC(=O)C(C)COC 527a_100000212058_100000751857 [0,2,0,0,0,0|1,0,1]=4 4240 B10R0.19 C#CCNC(=O)C(C)CSC 11a_100000212058_100000753918 [0,2,0,0,0,0|1,0,1]=4 4241 B10R0.19 C#CCNC(=O)C(C)CSC 1626a_100000212058_100000753918 [0,2,0,0,0,0|1,0,1]=4 4242 B10R0.19 C#CCNC(=O)C(C)CSC 240690a_100000212058_100000753918 [0,2,0,0,0,0|1,0,1]=4 4243 B10R0.19 C#CCNC(=O)C(C)CSC 527a_100000212058_100000753918 [0,2,0,0,0,0|1,0,1]=4 4244 B10R0.19 C#CCNC(=O)C(C)NCC 2230a_100015525214_100000735948 [0,2,0,0,0,0|1,0,1]=4 4245 B10R0.19 C#CCNC(=O)C(C)OCC 11a_100000212058_100000739345 [0,2,0,0,0,0|1,0,1]=4 4246 B10R0.19 C#CCNC(=O)C(C)OCC 1626a_100000212058_100000739345 [0,2,0,0,0,0|1,0,1]=4 4247 B10R0.19 C#CCNC(=O)C(C)OCC 240690a_100000212058_100000739345 [0,2,0,0,0,0|1,0,1]=4 4248 B10R0.19 C#CCNC(=O)C(C)OCC 34a_100121572206_100000735948 [0,2,0,0,0,0|1,0,1]=4 4249 B10R0.19 C#CCNC(=O)C(C)OCC 527a_100000212058_100000739345 [0,2,0,0,0,0|1,0,1]=4 4250 B10R0.19 C#CCNC(=O)C(C)SCC 11a_100000212058_100000230601 [0,2,0,0,0,0|1,0,1]=4 4251 B10R0.19 C#CCNC(=O)C(C)SCC 1626a_100000212058_100000230601 [0,2,0,0,0,0|1,0,1]=4 4252 B10R0.19 C#CCNC(=O)C(C)SCC 240690a_100000212058_100000230601 [0,2,0,0,0,0|1,0,1]=4 4253 B10R0.19 C#CCNC(=O)C(C)SCC 527a_100000212058_100000230601 [0,2,0,0,0,0|1,0,1]=4 4254 B10R0.19 C#CCNC(=O)C(C)SCC 62a_100000210202_100000735948 [0,2,0,0,0,0|1,0,1]=4 4255 B10R0.19 C#CCNC(=O)C(C)SCC 62a_100000735948_100000210202 [0,2,0,0,0,0|1,0,1]=4 4256 B10R0.19 C#CCNC(C)C(=O)NCC 2230a_100000736553_100000038162 [0,2,0,0,0,0|1,0,1]=4 4257 B10R0.19 C#CCNC(C)C(=O)NCC 34a_100000212058_100000230173 [0,2,0,0,0,0|1,0,1]=4 4258 B10R0.19 C#CCNC(C)C(=O)NCC 34a_100000736553_100000184674 [0,2,0,0,0,0|1,0,1]=4 4259 B10R0.19 C#CCNC(C)C(=O)OCC 34a_100000212058_100011216346 [0,2,0,0,0,0|0,0,1]=3 4260 B10R0.19 C#CCNC(F)C(=O)OCC 34a_100000212058_100000760018 [0,2,0,0,0,0|1,0,1]=4 4261 B10R0.19 C#CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000038162 [0,2,0,0,0,0|0,1,1]=4 4262 B10R0.19 C#CCOC(C)C(=O)NCC 34a_100000210247_100000230173 [0,2,0,0,0,0|1,0,1]=4 4263 B10R0.19 C#CCOC(C)C(=O)OCC 34a_100000210247_100011216346 [0,2,0,0,0,0|0,0,1]=3 4264 B10R0.19 C#CCOC(F)C(=O)OCC 34a_100000210247_100000760018 [0,2,0,0,0,0|1,0,1]=4 4265 B10R0.19 C#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000038162 [0,2,0,0,0,0|0,0,1]=3 4266 B10R0.19 C#CCSC(C)C(=O)NCC 62a_100000038162_100000230173 [0,2,0,0,0,0|1,0,1]=4 4267 B10R0.19 C#CCSC(C)C(=O)OCC 62a_100000038162_100011216346 [0,2,0,0,0,0|0,0,1]=3 4268 B10R0.19 C#CCSC(F)C(=O)OCC 62a_100000038162_100000760018 [0,2,0,0,0,0|1,0,1]=4 4269 B10R0.19 C/C=C/CC(=O)C(C)CCC 1458a_100000210906_100102629194 [0,2,0,0,0,0|1,0,1]=4 4270 B10R0.19 C/C=C/CC(=O)C(C)COC 1458a_100000751857_100102629194 [0,2,0,0,0,0|1,0,1]=4 4271 B10R0.19 C/C=C/CC(=O)C(C)CSC 1458a_100000753918_100102629194 [0,2,0,0,0,0|1,0,1]=4 4272 B10R0.19 C/C=C/CC(=O)C(C)OCC 1458a_100000739345_100102629194 [0,2,0,0,0,0|1,0,1]=4 4273 B10R0.19 C/C=C/CC(=O)C(C)SCC 1458a_100000230601_100102629194 [0,2,0,0,0,0|1,0,1]=4 4274 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,2,0,0,0,0|0,0,2]=4 4275 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,2,0,0,0,0|0,0,2]=4 4276 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,2,0,0,0,0|0,0,2]=4 4277 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100000755967_100015361967 [0,2,0,0,0,0|0,0,2]=4 4278 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100015361967_100000755967 [0,2,0,0,0,0|0,0,2]=4 4279 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,2,0,0,0,0|1,0,1]=4 4280 B10R0.19 C=CCC(C)C(=O)CCCF 1458a_100011216819_100011934791 [0,2,0,0,0,0|1,0,1]=4 4281 B10R0.19 C=CCC(C)C(=O)CCCO 1458a_100011216819_100011215043 [0,2,0,0,0,0|1,0,1]=4 4282 B10R0.19 C=CCC(C)C(=O)CCOC 1458a_100011216819_100000233755 [0,2,0,0,0,0|1,0,1]=4 4283 B10R0.19 C=CCC(C)C(=O)CCSC 1458a_100011216819_100000751147 [0,2,0,0,0,0|1,0,1]=4 4284 B10R0.19 C=CCC(C)C(=O)NCCC 11a_100020643023_100011216819 [0,2,0,0,0,0|1,0,1]=4 4285 B10R0.19 C=CCC(C)C(=O)NCCC 1626a_100020643023_100011216819 [0,2,0,0,0,0|1,0,1]=4 4286 B10R0.19 C=CCC(C)C(=O)NCCC 240690a_100020643023_100011216819 [0,2,0,0,0,0|1,0,1]=4 4287 B10R0.19 C=CCC(C)C(=O)NCCC 527a_100020643023_100011216819 [0,2,0,0,0,0|1,0,1]=4 4288 B10R0.19 C=CCC(C)C(=O)NCCF 11a_100000724931_100011216819 [0,2,0,0,0,0|1,0,1]=4 4289 B10R0.19 C=CCC(C)C(=O)NCCF 1626a_100000724931_100011216819 [0,2,0,0,0,0|1,0,1]=4 4290 B10R0.19 C=CCC(C)C(=O)NCCF 240690a_100000724931_100011216819 [0,2,0,0,0,0|1,0,1]=4 4291 B10R0.19 C=CCC(C)C(=O)NCCF 527a_100000724931_100011216819 [0,2,0,0,0,0|1,0,1]=4 4292 B10R0.19 C=CCC(C)C(=O)NCCO 240690a_100000210304_100011216819 [0,2,0,0,0,0|1,0,1]=4 4293 B10R0.19 C=CCC(C)C(=O)NCCO 527a_100000210304_100011216819 [0,2,0,0,0,0|1,0,1]=4 4294 B10R0.19 C=CCC(C)C(=O)NNCC 22a_100000756455_100011216819 [0,2,0,0,0,0|1,0,1]=4 4295 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000210906_100000754431 [0,2,0,0,0,0|1,0,1]=4 4296 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000749702_100000766640 [0,2,0,0,0,0|1,0,1]=4 4297 B10R0.19 C=CCCC(=O)C(C)CCO 1458a_100000749702_100009893172 [0,2,0,0,0,0|1,0,1]=4 4298 B10R0.19 C=CCCC(=O)C(C)COC 1458a_100000749702_100000765312 [0,2,0,0,0,0|1,0,1]=4 4299 B10R0.19 C=CCCC(=O)C(C)COC 1458a_100000751857_100000754431 [0,2,0,0,0,0|1,0,1]=4 4300 B10R0.19 C=CCCC(=O)C(C)CSC 1458a_100000753918_100000754431 [0,2,0,0,0,0|1,0,1]=4 4301 B10R0.19 C=CCCC(=O)C(C)OCC 1458a_100000739345_100000754431 [0,2,0,0,0,0|1,0,1]=4 4302 B10R0.19 C=CCCC(=O)C(C)SCC 1458a_100000230601_100000754431 [0,2,0,0,0,0|1,0,1]=4 4303 B10R0.19 C=CCCN(C)C(=O)CCC 11a_100020639649_100000211992 [0,2,0,0,0,0|2,0,0]=4 4304 B10R0.19 C=CCCN(C)C(=O)CCC 1626a_100020639649_100000211992 [0,2,0,0,0,0|2,0,0]=4 4305 B10R0.19 C=CCCN(C)C(=O)CCC 240690a_100020639649_100000211992 [0,2,0,0,0,0|2,0,0]=4 4306 B10R0.19 C=CCCN(C)C(=O)CCC 527a_100020639649_100000211992 [0,2,0,0,0,0|2,0,0]=4 4307 B10R0.19 C=CCCN(C)C(=O)NCC 2708a_100015525214_100020639649 [0,2,0,0,0,0|2,0,0]=4 4308 B10R0.19 C=CCCN(C)C(=O)NCC 273464a_100015525214_100020639649 [0,2,0,0,0,0|2,0,0]=4 4309 B10R0.19 C=CCN(C)C(=O)COCC 11a_100000225617_100000211967 [0,2,0,0,0,0|1,0,1]=4 4310 B10R0.19 C=CCN(C)C(=O)COCC 1626a_100000225617_100000211967 [0,2,0,0,0,0|1,0,1]=4 4311 B10R0.19 C=CCN(C)C(=O)COCC 240690a_100000225617_100000211967 [0,2,0,0,0,0|1,0,1]=4 4312 B10R0.19 C=CCN(C)C(=O)COCC 527a_100000225617_100000211967 [0,2,0,0,0,0|1,0,1]=4 4313 B10R0.19 C=CCNC(=O)C(C)CCC 1626a_100020586998_100000210906 [0,2,0,0,0,0|1,0,1]=4 4314 B10R0.19 C=CCNC(=O)C(C)CCC 240690a_100020586998_100000210906 [0,2,0,0,0,0|1,0,1]=4 4315 B10R0.19 C=CCNC(=O)C(C)CCC 527a_100020586998_100000210906 [0,2,0,0,0,0|1,0,1]=4 4316 B10R0.19 C=CCNC(=O)C(C)COC 1626a_100020586998_100000751857 [0,2,0,0,0,0|1,0,1]=4 4317 B10R0.19 C=CCNC(=O)C(C)COC 240690a_100020586998_100000751857 [0,2,0,0,0,0|1,0,1]=4 4318 B10R0.19 C=CCNC(=O)C(C)COC 527a_100020586998_100000751857 [0,2,0,0,0,0|1,0,1]=4 4319 B10R0.19 C=CCNC(=O)C(C)CSC 1626a_100020586998_100000753918 [0,2,0,0,0,0|1,0,1]=4 4320 B10R0.19 C=CCNC(=O)C(C)CSC 240690a_100020586998_100000753918 [0,2,0,0,0,0|1,0,1]=4 4321 B10R0.19 C=CCNC(=O)C(C)CSC 527a_100020586998_100000753918 [0,2,0,0,0,0|1,0,1]=4 4322 B10R0.19 C=CCNC(=O)C(C)NCC 2230a_100015525214_100000230288 [0,2,0,0,0,0|1,0,1]=4 4323 B10R0.19 C=CCNC(=O)C(C)OCC 1626a_100020586998_100000739345 [0,2,0,0,0,0|1,0,1]=4 4324 B10R0.19 C=CCNC(=O)C(C)OCC 240690a_100020586998_100000739345 [0,2,0,0,0,0|1,0,1]=4 4325 B10R0.19 C=CCNC(=O)C(C)OCC 527a_100020586998_100000739345 [0,2,0,0,0,0|1,0,1]=4 4326 B10R0.19 C=CCNC(=O)C(C)SCC 1626a_100020586998_100000230601 [0,2,0,0,0,0|1,0,1]=4 4327 B10R0.19 C=CCNC(=O)C(C)SCC 240690a_100020586998_100000230601 [0,2,0,0,0,0|1,0,1]=4 4328 B10R0.19 C=CCNC(=O)C(C)SCC 527a_100020586998_100000230601 [0,2,0,0,0,0|1,0,1]=4 4329 B10R0.19 C=CCNC(=O)C(C)SCC 62a_100000210202_100000230288 [0,2,0,0,0,0|1,0,1]=4 4330 B10R0.19 C=CCNC(=O)C(C)SCC 62a_100000230288_100000210202 [0,2,0,0,0,0|1,0,1]=4 4331 B10R0.19 C=CCNC(C)C(=O)NCC 2230a_100000736553_100000210623 [0,2,0,0,0,0|1,0,1]=4 4332 B10R0.19 C=CCNC(C)C(=O)NCC 2230a_100020586998_100000230173 [0,2,0,0,0,0|1,0,1]=4 4333 B10R0.19 C=CCNC(C)C(=O)NCC 34a_100000736553_100015514636 [0,2,0,0,0,0|1,0,1]=4 4334 B10R0.19 C=CCNC(C)C(=O)OCC 2230a_100020586998_100011215307 [0,2,0,0,0,0|0,0,1]=3 4335 B10R0.19 C=CCNC(F)C(=O)OCC 2230a_100020586998_100000760018 [0,2,0,0,0,0|1,0,1]=4 4336 B10R0.19 C=CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210623 [0,2,0,0,0,0|0,1,1]=4 4337 B10R0.19 C=CCOC(C)C(=O)NCC 34a_200000210373_100000230173 [0,2,0,0,0,0|1,0,1]=4 4338 B10R0.19 C=CCOC(C)C(=O)OCC 34a_200000210373_100011216346 [0,2,0,0,0,0|0,0,1]=3 4339 B10R0.19 C=CCOC(F)C(=O)OCC 34a_200000210373_100000760018 [0,2,0,0,0,0|1,0,1]=4 4340 B10R0.19 C=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100015514636 [0,2,0,0,0,0|0,0,1]=3 4341 B10R0.19 C=CCSC(C)C(=O)CCC 1458a_100000230602_100000210303 [0,2,0,0,0,0|1,0,1]=4 4342 B10R0.19 C=CCSC(C)C(=O)NCC 11a_100015525214_100000230602 [0,2,0,0,0,0|1,0,1]=4 4343 B10R0.19 C=CCSC(C)C(=O)NCC 240690a_100015525214_100000230602 [0,2,0,0,0,0|1,0,1]=4 4344 B10R0.19 C=CCSC(C)C(=O)NCC 527a_100015525214_100000230602 [0,2,0,0,0,0|1,0,1]=4 4345 B10R0.19 C=CCSC(C)C(=O)NCC 62a_100000210623_100000230173 [0,2,0,0,0,0|1,0,1]=4 4346 B10R0.19 C=CCSC(C)C(=O)NCC 62a_100000230173_100000210623 [0,2,0,0,0,0|1,0,1]=4 4347 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100000210623_100011216346 [0,2,0,0,0,0|0,0,1]=3 4348 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100011216346_100000210623 [0,2,0,0,0,0|0,0,1]=3 4349 B10R0.19 C=CCSC(F)C(=O)OCC 62a_100000210623_100000760018 [0,2,0,0,0,0|1,0,1]=4 4350 B10R0.19 C=CCSC(F)C(=O)OCC 62a_100000760018_100000210623 [0,2,0,0,0,0|1,0,1]=4 4351 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,2,0,0,0,0|1,0,1]=4 4352 B10R0.19 CC#CCC(=O)C(C)CCC 1458a_100000210906_100000748600 [0,2,0,0,0,0|1,0,1]=4 4353 B10R0.19 CC#CCC(=O)C(C)COC 1458a_100000751857_100000748600 [0,2,0,0,0,0|1,0,1]=4 4354 B10R0.19 CC#CCC(=O)C(C)CSC 1458a_100000753918_100000748600 [0,2,0,0,0,0|1,0,1]=4 4355 B10R0.19 CC#CCC(=O)C(C)OCC 1458a_100000739345_100000748600 [0,2,0,0,0,0|1,0,1]=4 4356 B10R0.19 CC#CCC(=O)C(C)SCC 1458a_100000230601_100000748600 [0,2,0,0,0,0|1,0,1]=4 4357 B10R0.19 CC(CCO)C(=O)C#CCO 1458a_100000049017_100009893172 [0,2,0,0,0,0|1,0,1]=4 4358 B10R0.19 CC(CCO)C(=O)CCC#N 1458a_100011934036_100009893172 [0,2,0,0,0,0|1,0,1]=4 4359 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,2,0,0,0,0|1,0,1]=4 4360 B10R0.19 CC/C=C(\C)/C(=O)CCCF 1458a_100016988807_100011934791 [0,2,0,0,0,0|1,0,1]=4 4361 B10R0.19 CC/C=C(\C)/C(=O)CCCO 1458a_100016988807_100011215043 [0,2,0,0,0,0|1,0,1]=4 4362 B10R0.19 CC/C=C(\C)/C(=O)CCOC 1458a_100016988807_100000233755 [0,2,0,0,0,0|1,0,1]=4 4363 B10R0.19 CC/C=C(\C)/C(=O)CCSC 1458a_100016988807_100000751147 [0,2,0,0,0,0|1,0,1]=4 4364 B10R0.19 CC/C=C(\C)/C(=O)NCCC 11a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 4365 B10R0.19 CC/C=C(\C)/C(=O)NCCC 1626a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 4366 B10R0.19 CC/C=C(\C)/C(=O)NCCC 240690a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 4367 B10R0.19 CC/C=C(\C)/C(=O)NCCC 527a_100020643023_100016988807 [0,2,0,0,0,0|1,0,1]=4 4368 B10R0.19 CC/C=C(\C)/C(=O)NCCF 11a_100000724931_100016988807 [0,2,0,0,0,0|1,0,1]=4 4369 B10R0.19 CC/C=C(\C)/C(=O)NCCF 1626a_100000724931_100016988807 [0,2,0,0,0,0|1,0,1]=4 4370 B10R0.19 CC/C=C(\C)/C(=O)NCCF 240690a_100000724931_100016988807 [0,2,0,0,0,0|1,0,1]=4 4371 B10R0.19 CC/C=C(\C)/C(=O)NCCF 527a_100000724931_100016988807 [0,2,0,0,0,0|1,0,1]=4 4372 B10R0.19 CC/C=C(\C)/C(=O)NCCO 240690a_100000210304_100016988807 [0,2,0,0,0,0|1,0,1]=4 4373 B10R0.19 CC/C=C(\C)/C(=O)NCCO 527a_100000210304_100016988807 [0,2,0,0,0,0|1,0,1]=4 4374 B10R0.19 CC/C=C(\C)/C(=O)NNCC 22a_100000756455_100016988807 [0,2,0,0,0,0|1,0,1]=4 4375 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|1,0,1]=4 4376 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100000210906_100000070051 [0,2,0,0,0,0|1,0,1]=4 4377 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100121576822_100000766640 [0,2,0,0,0,0|1,0,1]=4 4378 B10R0.19 CC=CCC(=O)C(C)CCO 1458a_100121576822_100009893172 [0,2,0,0,0,0|1,0,1]=4 4379 B10R0.19 CC=CCC(=O)C(C)COC 1458a_100000751857_100000070051 [0,2,0,0,0,0|1,0,1]=4 4380 B10R0.19 CC=CCC(=O)C(C)COC 1458a_100121576822_100000765312 [0,2,0,0,0,0|1,0,1]=4 4381 B10R0.19 CC=CCC(=O)C(C)CSC 1458a_100000753918_100000070051 [0,2,0,0,0,0|1,0,1]=4 4382 B10R0.19 CC=CCC(=O)C(C)OCC 1458a_100000739345_100000070051 [0,2,0,0,0,0|1,0,1]=4 4383 B10R0.19 CC=CCC(=O)C(C)SCC 1458a_100000230601_100000070051 [0,2,0,0,0,0|1,0,1]=4 4384 B10R0.19 CC=NNC(=O)C(C)OCC 4a_200015185280_200000210099 [0,2,0,0,0,0|1,0,1]=4 4385 B10R0.19 CCC#CC(=O)C(C)CC#N 1458a_100011827653_100009813641 [0,2,0,0,0,0|1,0,1]=4 4386 B10R0.19 CCC#CC(=O)C(C)CCC 1458a_100011827653_100000766640 [0,2,0,0,0,0|1,0,0]=3 4387 B10R0.19 CCC#CC(=O)C(C)CCO 1458a_100011827653_100009893172 [0,2,0,0,0,0|1,0,0]=3 4388 B10R0.19 CCC#CC(=O)C(C)COC 1458a_100011827653_100000765312 [0,2,0,0,0,0|1,0,0]=3 4389 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,2,0,0,0,0|1,0,1]=4 4390 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,2,0,0,0,0|1,0,1]=4 4391 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,2,0,0,0,0|1,0,1]=4 4392 B10R0.19 CCC=CC(=O)C(C)CC#N 1458a_100000212282_100009813641 [0,2,0,0,0,0|1,0,1]=4 4393 B10R0.19 CCC=CC(=O)C(C)CCC 1458a_100000212282_100000766640 [0,2,0,0,0,0|1,0,0]=3 4394 B10R0.19 CCC=CC(=O)C(C)CCO 1458a_100000212282_100009893172 [0,2,0,0,0,0|1,0,0]=3 4395 B10R0.19 CCC=CC(=O)C(C)COC 1458a_100000212282_100000765312 [0,2,0,0,0,0|1,0,0]=3 4396 B10R0.19 CCC=CC(=O)N(C)CCC 11a_100000747261_100000212282 [0,2,0,0,0,0|2,0,0]=4 4397 B10R0.19 CCC=CC(=O)N(C)CCC 1626a_100000747261_100000212282 [0,2,0,0,0,0|2,0,0]=4 4398 B10R0.19 CCC=CC(=O)N(C)CCC 240690a_100000747261_100000212282 [0,2,0,0,0,0|2,0,0]=4 4399 B10R0.19 CCC=CC(=O)N(C)CCO 240690a_100000210263_100000212282 [0,2,0,0,0,0|2,0,0]=4 4400 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,2,0,0,0,0|2,0,0]=4 4401 B10R0.19 CCCC(=O)N(C)CCC#N 11a_100000184479_100000211992 [0,2,0,0,0,0|2,0,0]=4 4402 B10R0.19 CCCC(=O)N(C)CCC#N 1626a_100000184479_100000211992 [0,2,0,0,0,0|2,0,0]=4 4403 B10R0.19 CCCC(=O)N(C)CCC#N 240690a_100000184479_100000211992 [0,2,0,0,0,0|2,0,0]=4 4404 B10R0.19 CCCC(=O)N(C)CCC#N 527a_100000184479_100000211992 [0,2,0,0,0,0|2,0,0]=4 4405 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [0,2,0,0,0,0|2,0,0]=4 4406 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [0,2,0,0,0,0|2,0,0]=4 4407 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [0,2,0,0,0,0|2,0,0]=4 4408 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [0,2,0,0,0,0|2,0,0]=4 4409 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [0,2,0,0,0,0|2,0,0]=4 4410 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [0,2,0,0,0,0|2,0,0]=4 4411 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 4412 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 4413 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 4414 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [0,2,0,0,0,0|2,0,0]=4 4415 B10R0.19 CCCC(C)C(=NNCC)C 4a_100000756455_100011216282 [0,2,0,0,0,0|2,0,0]=4 4416 B10R0.19 CCCC(C)C(=O)C#CCO 1458a_100000049017_100000766640 [0,2,0,0,0,0|1,0,1]=4 4417 B10R0.19 CCCC(C)C(=O)C=COC 1458a_100016268678_100000766640 [0,2,0,0,0,0|1,0,1]=4 4418 B10R0.19 CCCC(C)C(=O)CCC#N 1458a_100000210906_100011215226 [0,2,0,0,0,0|1,0,1]=4 4419 B10R0.19 CCCC(C)C(=O)CCC#N 1458a_100011934036_100000766640 [0,2,0,0,0,0|1,0,1]=4 4420 B10R0.19 CCCC(C)C(=O)CCCF 1458a_100000210906_100011934791 [0,2,0,0,0,0|1,0,0]=3 4421 B10R0.19 CCCC(C)C(=O)CCCO 1458a_100000210906_100011215043 [0,2,0,0,0,0|1,0,0]=3 4422 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000210906_100000233755 [0,2,0,0,0,0|1,0,0]=3 4423 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000749529_100000766640 [0,2,0,0,0,0|1,0,0]=3 4424 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000174002_100000766640 [0,2,0,0,0,0|1,0,0]=3 4425 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000210906_100000751147 [0,2,0,0,0,0|1,0,0]=3 4426 B10R0.19 CCCC(C)C(=O)COCC 1458a_100000211967_100000766640 [0,2,0,0,0,0|0,0,0]=2 4427 B10R0.19 CCCC(C)C(=O)CSCC 1458a_100000230394_100000766640 [0,2,0,0,0,0|0,1,0]=3 4428 B10R0.19 CCCC(C)C(=O)NCC#N 1626a_100000734998_100000210906 [0,2,0,0,0,0|1,0,1]=4 4429 B10R0.19 CCCC(C)C(=O)NCC#N 527a_100000734998_100000210906 [0,2,0,0,0,0|1,0,1]=4 4430 B10R0.19 CCCC(C)C(=O)NCCF 11a_100000724931_100000210906 [0,2,0,0,0,0|1,0,0]=3 4431 B10R0.19 CCCC(C)C(=O)NCCF 1626a_100000724931_100000210906 [0,2,0,0,0,0|1,0,0]=3 4432 B10R0.19 CCCC(C)C(=O)NCCF 240690a_100000724931_100000210906 [0,2,0,0,0,0|1,0,0]=3 4433 B10R0.19 CCCC(C)C(=O)NCCF 527a_100000724931_100000210906 [0,2,0,0,0,0|1,0,0]=3 4434 B10R0.19 CCCC(C)C(=O)NCCO 240690a_100000210304_100000210906 [0,2,0,0,0,0|1,0,0]=3 4435 B10R0.19 CCCC(C)C(=O)NCCO 527a_100000210304_100000210906 [0,2,0,0,0,0|1,0,0]=3 4436 B10R0.19 CCCC(C)C(=O)NNCC 22a_100000756455_100000210906 [0,2,0,0,0,0|1,0,0]=3 4437 B10R0.19 CCCC(C)C(C)OCCF 34a_100000708338_100011217306 [0,2,0,0,0,0|1,0,1]=4 4438 B10R0.19 CCCC(C)C(C)OCCF 7a_100000708338_100011217306 [0,2,0,0,0,0|1,0,1]=4 4439 B10R0.19 CCCC(C)C(C)OCCO 34a_100000708338_100000211926 [0,2,0,0,0,0|1,0,1]=4 4440 B10R0.19 CCCC(C)C(C)OCCO 7a_100000708338_100000211926 [0,2,0,0,0,0|1,0,1]=4 4441 B10R0.19 CCCC(C)C(C)OCSC 34a_100000708338_100011218213 [0,2,0,0,0,0|1,0,1]=4 4442 B10R0.19 CCCCC(=O)C(C)CC#N 1458a_100000210183_100009813641 [0,2,0,0,0,0|1,0,1]=4 4443 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [0,2,0,0,0,0|1,0,0]=3 4444 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [0,2,0,0,0,0|1,0,0]=3 4445 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,2,0,0,0,0|1,0,0]=3 4446 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,2,0,0,0,0|1,0,0]=3 4447 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,2,0,0,0,0|1,0,0]=3 4448 B10R0.19 CCCCC(=O)C(C)CSC 1458a_100000753918_100000210211 [0,2,0,0,0,0|1,0,0]=3 4449 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,2,0,0,0,0|1,0,0]=3 4450 B10R0.19 CCCCC(=O)C(C)SCC 1458a_100000230601_100000210211 [0,2,0,0,0,0|1,0,0]=3 4451 B10R0.19 CCCCC(=O)N(C)CCC 11a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4452 B10R0.19 CCCCC(=O)N(C)CCC 1626a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4453 B10R0.19 CCCCC(=O)N(C)CCC 240690a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4454 B10R0.19 CCCCC(=O)N(C)CCC 527a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4455 B10R0.19 CCCCC(=O)N(C)CCO 240690a_100000210263_100000210183 [0,2,0,0,0,0|2,0,0]=4 4456 B10R0.19 CCCCC(=O)N(C)CCO 527a_100000210263_100000210183 [0,2,0,0,0,0|2,0,0]=4 4457 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,2,0,0,0,0|2,0,0]=4 4458 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|1,0,0]=3 4459 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|1,0,0]=3 4460 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|2,0,0]=4 4461 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|2,0,0]=4 4462 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|2,0,0]=4 4463 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|2,0,0]=4 4464 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|2,0,0]=4 4465 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|1,0,0]=3 4466 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|1,0,0]=3 4467 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|1,0,0]=3 4468 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,2,0,0,0,0|2,0,0]=4 4469 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|2,0,0]=4 4470 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 4471 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 4472 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4473 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4474 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4475 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4476 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 4477 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 4478 B10R0.19 CCCN(C)C(=O)CCOC 11a_100000747261_100000749529 [0,2,0,0,0,0|2,0,0]=4 4479 B10R0.19 CCCN(C)C(=O)CCOC 1626a_100000747261_100000749529 [0,2,0,0,0,0|2,0,0]=4 4480 B10R0.19 CCCN(C)C(=O)CCOC 240690a_100000747261_100000749529 [0,2,0,0,0,0|2,0,0]=4 4481 B10R0.19 CCCN(C)C(=O)CCOC 527a_100000747261_100000749529 [0,2,0,0,0,0|2,0,0]=4 4482 B10R0.19 CCCN(C)C(=O)CCSC 11a_100000747261_100000174002 [0,2,0,0,0,0|2,0,0]=4 4483 B10R0.19 CCCN(C)C(=O)CCSC 1626a_100000747261_100000174002 [0,2,0,0,0,0|2,0,0]=4 4484 B10R0.19 CCCN(C)C(=O)CCSC 240690a_100000747261_100000174002 [0,2,0,0,0,0|2,0,0]=4 4485 B10R0.19 CCCN(C)C(=O)CCSC 527a_100000747261_100000174002 [0,2,0,0,0,0|2,0,0]=4 4486 B10R0.19 CCCN(C)C(=O)COCC 11a_100000747261_100000211967 [0,2,0,0,0,0|1,0,0]=3 4487 B10R0.19 CCCN(C)C(=O)COCC 1626a_100000747261_100000211967 [0,2,0,0,0,0|1,0,0]=3 4488 B10R0.19 CCCN(C)C(=O)COCC 240690a_100000747261_100000211967 [0,2,0,0,0,0|1,0,0]=3 4489 B10R0.19 CCCN(C)C(=O)COCC 527a_100000747261_100000211967 [0,2,0,0,0,0|1,0,0]=3 4490 B10R0.19 CCCN(C)C(=O)CSCC 11a_100000747261_100000230394 [0,2,0,0,0,0|1,1,0]=4 4491 B10R0.19 CCCN(C)C(=O)CSCC 1626a_100000747261_100000230394 [0,2,0,0,0,0|1,1,0]=4 4492 B10R0.19 CCCN(C)C(=O)CSCC 240690a_100000747261_100000230394 [0,2,0,0,0,0|1,1,0]=4 4493 B10R0.19 CCCN(C)C(=O)CSCC 527a_100000747261_100000230394 [0,2,0,0,0,0|1,1,0]=4 4494 B10R0.19 CCCN(C)C(=O)NCCF 273464a_100000724931_100000747261 [0,2,0,0,0,0|2,0,0]=4 4495 B10R0.19 CCCN(C)C(=O)NCCO 273464a_100000210304_100000747261 [0,2,0,0,0,0|2,0,0]=4 4496 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 4497 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 4498 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 4499 B10R0.19 CCCNC(=O)C(C)CCC 11a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 4500 B10R0.19 CCCNC(=O)C(C)CCC 1626a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 4501 B10R0.19 CCCNC(=O)C(C)CCC 240690a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 4502 B10R0.19 CCCNC(=O)C(C)CCC 527a_100020643023_100000210906 [0,2,0,0,0,0|1,0,0]=3 4503 B10R0.19 CCCNC(=O)C(C)COC 11a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 4504 B10R0.19 CCCNC(=O)C(C)COC 1626a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 4505 B10R0.19 CCCNC(=O)C(C)COC 240690a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 4506 B10R0.19 CCCNC(=O)C(C)COC 527a_100020643023_100000751857 [0,2,0,0,0,0|1,0,0]=3 4507 B10R0.19 CCCNC(=O)C(C)CSC 11a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 4508 B10R0.19 CCCNC(=O)C(C)CSC 1626a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 4509 B10R0.19 CCCNC(=O)C(C)CSC 240690a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 4510 B10R0.19 CCCNC(=O)C(C)CSC 527a_100020643023_100000753918 [0,2,0,0,0,0|1,0,0]=3 4511 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100015525214_100000230305 [0,2,0,0,0,0|1,0,0]=3 4512 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100025744714_100000210202 [0,2,0,0,0,0|1,0,0]=3 4513 B10R0.19 CCCNC(=O)C(C)NCC 34a_100025744714_100000210202 [0,2,0,0,0,0|1,0,0]=3 4514 B10R0.19 CCCNC(=O)C(C)NCF 34a_100025744714_100015361967 [0,2,0,0,0,0|2,0,0]=4 4515 B10R0.19 CCCNC(=O)C(C)OCC 11a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 4516 B10R0.19 CCCNC(=O)C(C)OCC 1626a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 4517 B10R0.19 CCCNC(=O)C(C)OCC 240690a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 4518 B10R0.19 CCCNC(=O)C(C)OCC 34a_100121572206_100000230305 [0,2,0,0,0,0|1,0,0]=3 4519 B10R0.19 CCCNC(=O)C(C)OCC 527a_100020643023_100000739345 [0,2,0,0,0,0|1,0,0]=3 4520 B10R0.19 CCCNC(=O)C(C)SCC 11a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 4521 B10R0.19 CCCNC(=O)C(C)SCC 1626a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 4522 B10R0.19 CCCNC(=O)C(C)SCC 240690a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 4523 B10R0.19 CCCNC(=O)C(C)SCC 527a_100020643023_100000230601 [0,2,0,0,0,0|1,0,0]=3 4524 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000210202_100000230305 [0,2,0,0,0,0|1,0,0]=3 4525 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000230305_100000210202 [0,2,0,0,0,0|1,0,0]=3 4526 B10R0.19 CCCNC(=O)C(C)SCF 62a_100000230305_100015361967 [0,2,0,0,0,0|2,0,0]=4 4527 B10R0.19 CCCNC(=O)C(C)SCF 62a_100015361967_100000230305 [0,2,0,0,0,0|2,0,0]=4 4528 B10R0.19 CCCNC(=O)N(C)CCC 2708a_100020643023_100000747261 [0,2,0,0,0,0|2,0,0]=4 4529 B10R0.19 CCCNC(=O)N(C)CCC 273464a_100020643023_100000747261 [0,2,0,0,0,0|2,0,0]=4 4530 B10R0.19 CCCNC(=O)N(C)CCO 2708a_100020643023_100000210263 [0,2,0,0,0,0|2,0,0]=4 4531 B10R0.19 CCCNC(=O)N(C)CCO 273464a_100020643023_100000210263 [0,2,0,0,0,0|2,0,0]=4 4532 B10R0.19 CCCNC(=O)[C@@H](O)CCC 240690a_100020643023_100009822183 [0,2,0,0,0,0|2,0,0]=4 4533 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,2,0,0,0,0|1,0,0]=3 4534 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,2,0,0,0,0|1,0,0]=3 4535 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,2,0,0,0,0|0,1,0]=3 4536 B10R0.19 CCCOC(=O)C(C)NCC 2230a_100015525214_100000760410 [0,2,0,0,0,0|0,0,0]=2 4537 B10R0.19 CCCOC(=O)C(C)OCC 34a_100000037348_100000210202 [0,2,0,0,0,0|0,0,0]=2 4538 B10R0.19 CCCOC(=O)C(C)OCC 34a_100121572206_100000760410 [0,2,0,0,0,0|0,0,0]=2 4539 B10R0.19 CCCOC(=O)C(C)OCC 7a_100000037348_100000210202 [0,2,0,0,0,0|0,0,0]=2 4540 B10R0.19 CCCOC(=O)C(C)OCF 34a_100000037348_100015361967 [0,2,0,0,0,0|1,0,0]=3 4541 B10R0.19 CCCOC(=O)C(C)OCF 7a_100000037348_100015361967 [0,2,0,0,0,0|1,0,0]=3 4542 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000210202_100000760410 [0,2,0,0,0,0|0,0,0]=2 4543 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000760410_100000210202 [0,2,0,0,0,0|0,0,0]=2 4544 B10R0.19 CCCOC(=O)C(C)SCF 62a_100000760410_100015361967 [0,2,0,0,0,0|1,0,0]=3 4545 B10R0.19 CCCOC(=O)C(C)SCF 62a_100015361967_100000760410 [0,2,0,0,0,0|1,0,0]=3 4546 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,2,0,0,0,0|1,0,0]=3 4547 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|0,0,0]=2 4548 B10R0.19 CCCOC(C)C(C)CCC 34a_100000708338_100000210303 [0,2,0,0,0,0|1,0,1]=4 4549 B10R0.19 CCCOC(C)C(C)CCC 7a_100000708338_100000210303 [0,2,0,0,0,0|1,0,1]=4 4550 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|1,0,0]=3 4551 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|0,0,0]=2 4552 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,2,0,0,0,0|1,0,0]=3 4553 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,2,0,0,0,0|1,0,0]=3 4554 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|0,0,0]=2 4555 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|0,0,0]=2 4556 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|1,0,0]=3 4557 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|1,0,0]=3 4558 B10R0.19 CCC[C@H](O)C(=O)CCCF 1458a_100009822183_100011934791 [0,2,0,0,0,0|2,0,0]=4 4559 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [0,2,0,0,0,0|2,0,0]=4 4560 B10R0.19 CCC[C@H](O)C(=O)CCOC 1458a_100009822183_100000233755 [0,2,0,0,0,0|2,0,0]=4 4561 B10R0.19 CCC[C@H](O)C(=O)CCSC 1458a_100009822183_100000751147 [0,2,0,0,0,0|2,0,0]=4 4562 B10R0.19 CCC[C@H](O)C(=O)NCCF 240690a_100000724931_100009822183 [0,2,0,0,0,0|2,0,0]=4 4563 B10R0.19 CCC[C@H](O)C(=O)NCCO 240690a_100000210304_100009822183 [0,2,0,0,0,0|2,0,0]=4 4564 B10R0.19 CCC[C@H](O)C(=O)NNCC 22a_100000756455_100009822183 [0,2,0,0,0,0|2,0,0]=4 4565 B10R0.19 CCNC(=O)C(C)NCC#N 2230a_100000736553_100011215382 [0,2,0,0,0,0|1,0,1]=4 4566 B10R0.19 CCNC(=O)C(C)NCC=O 2230a_100000736553_200015260668 [0,2,0,0,0,0|1,0,1]=4 4567 B10R0.19 CCNC(=O)C(C)NCC=O 34a_100000736553_200009817547 [0,2,0,0,0,0|1,0,1]=4 4568 B10R0.19 CCNC(=O)C(C)NCCF 2230a_100000736553_100011217306 [0,2,0,0,0,0|1,0,0]=3 4569 B10R0.19 CCNC(=O)C(C)NCCF 34a_100000724931_100000230173 [0,2,0,0,0,0|1,0,0]=3 4570 B10R0.19 CCNC(=O)C(C)NCCF 34a_100000736553_100011217306 [0,2,0,0,0,0|1,0,0]=3 4571 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100000736553_100000211926 [0,2,0,0,0,0|1,0,0]=3 4572 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100016997473_100000230173 [0,2,0,0,0,0|1,0,0]=3 4573 B10R0.19 CCNC(=O)C(C)NCCO 34a_100000736553_100000211926 [0,2,0,0,0,0|1,0,0]=3 4574 B10R0.19 CCNC(=O)C(C)NCCO 34a_100016990907_100000230173 [0,2,0,0,0,0|1,0,0]=3 4575 B10R0.19 CCNC(=O)C(C)NCOC 2230a_100000736553_100000766300 [0,2,0,0,0,0|1,0,0]=3 4576 B10R0.19 CCNC(=O)C(C)NCSC 2230a_100000736553_100011218213 [0,2,0,0,0,0|1,0,0]=3 4577 B10R0.19 CCNC(=O)C(C)NCSC 34a_100000736553_100011218213 [0,2,0,0,0,0|1,0,0]=3 4578 B10R0.19 CCNC(=O)C(C)OCCBr 34a_100000211926_100000230173 [0,2,0,0,0,0|1,0,0]=3 4579 B10R0.19 CCNC(=O)C(C)OCCN 34a_100000210304_100000230173 [0,2,0,0,0,0|1,0,0]=3 4580 B10R0.19 CCNC(=O)C(C)SCC#N 62a_100000230173_100011215382 [0,2,0,0,0,0|1,0,1]=4 4581 B10R0.19 CCNC(=O)C(C)SCC#N 62a_100011215382_100000230173 [0,2,0,0,0,0|1,0,1]=4 4582 B10R0.19 CCNC(=O)C(C)SCC=O 62a_100000230173_200015260668 [0,2,0,0,0,0|1,0,1]=4 4583 B10R0.19 CCNC(=O)C(C)SCC=O 62a_200015260668_100000230173 [0,2,0,0,0,0|1,0,1]=4 4584 B10R0.19 CCNC(=O)C(C)SCCF 62a_100000230173_100011217306 [0,2,0,0,0,0|1,0,0]=3 4585 B10R0.19 CCNC(=O)C(C)SCCF 62a_100011217306_100000230173 [0,2,0,0,0,0|1,0,0]=3 4586 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000211926_100000230173 [0,2,0,0,0,0|1,0,0]=3 4587 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000230173_100000211926 [0,2,0,0,0,0|1,0,0]=3 4588 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000230173_100000766300 [0,2,0,0,0,0|1,0,0]=3 4589 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000766300_100000230173 [0,2,0,0,0,0|1,0,0]=3 4590 B10R0.19 CCNC(=O)C(C)SCSC 62a_100000230173_100011218213 [0,2,0,0,0,0|1,0,0]=3 4591 B10R0.19 CCNC(=O)C(C)SCSC 62a_100011218213_100000230173 [0,2,0,0,0,0|1,0,0]=3 4592 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,2,0,0,0,0|2,0,0]=4 4593 B10R0.19 CCNC(=O)N(C)CCC#N 2708a_100015525214_100000184479 [0,2,0,0,0,0|2,0,0]=4 4594 B10R0.19 CCNC(=O)N(C)CCC#N 273464a_100015525214_100000184479 [0,2,0,0,0,0|2,0,0]=4 4595 B10R0.19 CCNC(=O)N(C)CCCO 2708a_100015525214_100000213112 [0,2,0,0,0,0|2,0,0]=4 4596 B10R0.19 CCNC(=O)N(C)CCCO 273464a_100015525214_100000213112 [0,2,0,0,0,0|2,0,0]=4 4597 B10R0.19 CCNC(=O)N(C)CCOC 2708a_100015525214_100000743101 [0,2,0,0,0,0|2,0,0]=4 4598 B10R0.19 CCNC(=O)N(C)CCOC 273464a_100015525214_100000743101 [0,2,0,0,0,0|2,0,0]=4 4599 B10R0.19 CCNC(=O)N(C)CCSC 2708a_100015525214_100000686725 [0,2,0,0,0,0|2,0,0]=4 4600 B10R0.19 CCNC(=O)N(C)CCSC 273464a_100015525214_100000686725 [0,2,0,0,0,0|2,0,0]=4 4601 B10R0.19 CCNN=C(C)C(=O)OCC 4a_100000756455_100000209952 [0,2,0,0,0,0|0,0,1]=3 4602 B10R0.19 CCNNC(=O)C(C)COC 22a_100000756455_100000751857 [0,2,0,0,0,0|1,0,0]=3 4603 B10R0.19 CCNNC(=O)C(C)CSC 22a_100000756455_100000753918 [0,2,0,0,0,0|1,0,0]=3 4604 B10R0.19 CCNNC(=O)C(C)OCC 22a_100000756455_100000739345 [0,2,0,0,0,0|1,0,0]=3 4605 B10R0.19 CCNNC(=O)C(C)SCC 22a_100000756455_100000230601 [0,2,0,0,0,0|1,0,0]=3 4606 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|1,0,1]=4 4607 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|1,0,1]=4 4608 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100000211299_100015361967 [0,2,0,0,0,0|1,0,1]=4 4609 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100015361967_100000211299 [0,2,0,0,0,0|1,0,1]=4 4610 B10R0.19 CCOC(=O)C(=O)NCCF 11a_100000724931_100014798877 [0,2,0,0,0,0|1,0,1]=4 4611 B10R0.19 CCOC(=O)C(=O)NCCF 1626a_100000724931_100014798877 [0,2,0,0,0,0|1,0,1]=4 4612 B10R0.19 CCOC(=O)C(=O)NCCF 240690a_100000724931_100014798877 [0,2,0,0,0,0|1,0,1]=4 4613 B10R0.19 CCOC(=O)C(=O)NCCO 240690a_100000210304_100014798877 [0,2,0,0,0,0|1,0,1]=4 4614 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,2,0,0,0,0|0,0,0]=2 4615 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,2,0,0,0,0|0,0,0]=2 4616 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,2,0,0,0,0|0,0,0]=2 4617 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,2,0,0,0,0|0,0,0]=2 4618 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,2,0,0,0,0|0,0,0]=2 4619 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011215382_100011216346 [0,2,0,0,0,0|0,0,1]=3 4620 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011216346_100011215382 [0,2,0,0,0,0|0,0,1]=3 4621 B10R0.19 CCOC(=O)C(C)SCC=O 62a_100011216346_200015260668 [0,2,0,0,0,0|0,0,1]=3 4622 B10R0.19 CCOC(=O)C(C)SCC=O 62a_200015260668_100011216346 [0,2,0,0,0,0|0,0,1]=3 4623 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,2,0,0,0,0|0,0,0]=2 4624 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,2,0,0,0,0|0,0,0]=2 4625 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,2,0,0,0,0|0,0,0]=2 4626 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,2,0,0,0,0|0,0,0]=2 4627 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,2,0,0,0,0|0,0,0]=2 4628 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,2,0,0,0,0|0,0,0]=2 4629 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,2,0,0,0,0|0,0,0]=2 4630 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,2,0,0,0,0|0,0,0]=2 4631 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [0,2,0,0,0,0|1,0,0]=3 4632 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,2,0,0,0,0|1,0,0]=3 4633 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,2,0,0,0,0|1,0,0]=3 4634 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,2,0,0,0,0|1,0,0]=3 4635 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,2,0,0,0,0|1,0,0]=3 4636 B10R0.19 CCOC(=O)C(F)SCC#N 62a_100000760018_100011215382 [0,2,0,0,0,0|1,0,1]=4 4637 B10R0.19 CCOC(=O)C(F)SCC#N 62a_100011215382_100000760018 [0,2,0,0,0,0|1,0,1]=4 4638 B10R0.19 CCOC(=O)C(F)SCC=O 62a_100000760018_200015260668 [0,2,0,0,0,0|1,0,1]=4 4639 B10R0.19 CCOC(=O)C(F)SCC=O 62a_200015260668_100000760018 [0,2,0,0,0,0|1,0,1]=4 4640 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [0,2,0,0,0,0|1,0,0]=3 4641 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [0,2,0,0,0,0|1,0,0]=3 4642 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,2,0,0,0,0|1,0,0]=3 4643 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,2,0,0,0,0|1,0,0]=3 4644 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [0,2,0,0,0,0|1,0,0]=3 4645 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [0,2,0,0,0,0|1,0,0]=3 4646 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,2,0,0,0,0|1,0,0]=3 4647 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,2,0,0,0,0|1,0,0]=3 4648 B10R0.19 CCOC(=O)[C@H](C)OCC#N 7a_100000751109_100011215382 [0,2,0,0,0,0|0,0,1]=3 4649 B10R0.19 CCOC(=O)[C@H](C)OCC=O 7a_100000751109_200015260668 [0,2,0,0,0,0|0,0,1]=3 4650 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,2,0,0,0,0|0,0,0]=2 4651 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,2,0,0,0,0|0,0,0]=2 4652 B10R0.19 CCOC(C)C(=O)CCC#N 1458a_100000739345_100011215226 [0,2,0,0,0,0|1,0,1]=4 4653 B10R0.19 CCOC(C)C(=O)CCCF 1458a_100000739345_100011934791 [0,2,0,0,0,0|1,0,0]=3 4654 B10R0.19 CCOC(C)C(=O)CCCO 1458a_100000739345_100011215043 [0,2,0,0,0,0|1,0,0]=3 4655 B10R0.19 CCOC(C)C(=O)CCOC 1458a_100000739345_100000233755 [0,2,0,0,0,0|1,0,0]=3 4656 B10R0.19 CCOC(C)C(=O)CCSC 1458a_100000739345_100000751147 [0,2,0,0,0,0|1,0,0]=3 4657 B10R0.19 CCOC(C)C(=O)NCC#N 1626a_100000734998_100000739345 [0,2,0,0,0,0|1,0,1]=4 4658 B10R0.19 CCOC(C)C(=O)NCC#N 527a_100000734998_100000739345 [0,2,0,0,0,0|1,0,1]=4 4659 B10R0.19 CCOC(C)C(=O)NCCF 11a_100000724931_100000739345 [0,2,0,0,0,0|1,0,0]=3 4660 B10R0.19 CCOC(C)C(=O)NCCF 1626a_100000724931_100000739345 [0,2,0,0,0,0|1,0,0]=3 4661 B10R0.19 CCOC(C)C(=O)NCCF 240690a_100000724931_100000739345 [0,2,0,0,0,0|1,0,0]=3 4662 B10R0.19 CCOC(C)C(=O)NCCF 527a_100000724931_100000739345 [0,2,0,0,0,0|1,0,0]=3 4663 B10R0.19 CCOC(C)C(=O)NCCO 240690a_100000210304_100000739345 [0,2,0,0,0,0|1,0,0]=3 4664 B10R0.19 CCOC(C)C(=O)NCCO 527a_100000210304_100000739345 [0,2,0,0,0,0|1,0,0]=3 4665 B10R0.19 CCOCC(=O)C(C)CC#N 1458a_100000211967_100009813641 [0,2,0,0,0,0|0,0,1]=3 4666 B10R0.19 CCOCC(=O)C(C)CCO 1458a_100000211967_100009893172 [0,2,0,0,0,0|0,0,0]=2 4667 B10R0.19 CCOCC(=O)C(C)COC 1458a_100000211967_100000765312 [0,2,0,0,0,0|0,0,0]=2 4668 B10R0.19 CCOCC(=O)N(C)CC#N 11a_100000748184_100000211967 [0,2,0,0,0,0|1,0,1]=4 4669 B10R0.19 CCOCC(=O)N(C)CC#N 1626a_100000748184_100000211967 [0,2,0,0,0,0|1,0,1]=4 4670 B10R0.19 CCOCC(=O)N(C)CCO 240690a_100000210263_100000211967 [0,2,0,0,0,0|1,0,0]=3 4671 B10R0.19 CCOCC(=O)N(C)CCO 527a_100000210263_100000211967 [0,2,0,0,0,0|1,0,0]=3 4672 B10R0.19 CCOCN(C)C(C)CCO 269982a_100000731037_100000739092 [0,2,0,0,0,0|2,0,0]=4 4673 B10R0.19 CCSC(=O)[C@H](C)NCC#N 2230a_100103168634_100011215382 [0,2,0,0,0,0|0,1,1]=4 4674 B10R0.19 CCSC(=O)[C@H](C)NCC=O 2230a_100103168634_200015260668 [0,2,0,0,0,0|0,1,1]=4 4675 B10R0.19 CCSC(=O)[C@H](C)NCCF 2230a_100103168634_100011217306 [0,2,0,0,0,0|0,1,0]=3 4676 B10R0.19 CCSC(=O)[C@H](C)NCCO 2230a_100103168634_100000211926 [0,2,0,0,0,0|0,1,0]=3 4677 B10R0.19 CCSC(=O)[C@H](C)NCOC 2230a_100103168634_100000766300 [0,2,0,0,0,0|0,1,0]=3 4678 B10R0.19 CCSC(=O)[C@H](C)NCSC 2230a_100103168634_100011218213 [0,2,0,0,0,0|0,1,0]=3 4679 B10R0.19 CCSC(C)C(=O)CCC#N 1458a_100000230601_100011215226 [0,2,0,0,0,0|1,0,1]=4 4680 B10R0.19 CCSC(C)C(=O)CCCF 1458a_100000230601_100011934791 [0,2,0,0,0,0|1,0,0]=3 4681 B10R0.19 CCSC(C)C(=O)CCCO 1458a_100000230601_100011215043 [0,2,0,0,0,0|1,0,0]=3 4682 B10R0.19 CCSC(C)C(=O)CCOC 1458a_100000230601_100000233755 [0,2,0,0,0,0|1,0,0]=3 4683 B10R0.19 CCSC(C)C(=O)CCSC 1458a_100000230601_100000751147 [0,2,0,0,0,0|1,0,0]=3 4684 B10R0.19 CCSC(C)C(=O)NCC#N 1626a_100000734998_100000230601 [0,2,0,0,0,0|1,0,1]=4 4685 B10R0.19 CCSC(C)C(=O)NCC#N 527a_100000734998_100000230601 [0,2,0,0,0,0|1,0,1]=4 4686 B10R0.19 CCSC(C)C(=O)NCCF 11a_100000724931_100000230601 [0,2,0,0,0,0|1,0,0]=3 4687 B10R0.19 CCSC(C)C(=O)NCCF 1626a_100000724931_100000230601 [0,2,0,0,0,0|1,0,0]=3 4688 B10R0.19 CCSC(C)C(=O)NCCF 240690a_100000724931_100000230601 [0,2,0,0,0,0|1,0,0]=3 4689 B10R0.19 CCSC(C)C(=O)NCCF 527a_100000724931_100000230601 [0,2,0,0,0,0|1,0,0]=3 4690 B10R0.19 CCSC(C)C(=O)NCCO 240690a_100000210304_100000230601 [0,2,0,0,0,0|1,0,0]=3 4691 B10R0.19 CCSC(C)C(=O)NCCO 527a_100000210304_100000230601 [0,2,0,0,0,0|1,0,0]=3 4692 B10R0.19 CCSCC(=O)C(C)CC#N 1458a_100000230394_100009813641 [0,2,0,0,0,0|0,1,1]=4 4693 B10R0.19 CCSCC(=O)C(C)CCO 1458a_100000230394_100009893172 [0,2,0,0,0,0|0,1,0]=3 4694 B10R0.19 CCSCC(=O)C(C)COC 1458a_100000230394_100000765312 [0,2,0,0,0,0|0,1,0]=3 4695 B10R0.19 CCSCC(=O)N(C)CCO 240690a_100000210263_100000230394 [0,2,0,0,0,0|1,1,0]=4 4696 B10R0.19 CCSCC(=O)N(C)CCO 527a_100000210263_100000230394 [0,2,0,0,0,0|1,1,0]=4 4697 B10R0.19 CN(CCO)C(=O)NCCF 273464a_100000724931_100000210263 [0,2,0,0,0,0|2,0,0]=4 4698 B10R0.19 CN(CCO)C(=O)NCCO 273464a_100000210304_100000210263 [0,2,0,0,0,0|2,0,0]=4 4699 B10R0.19 COC=CC(=O)C(C)CCO 1458a_100016268678_100009893172 [0,2,0,0,0,0|1,0,1]=4 4700 B10R0.19 COC=CC(=O)C(C)COC 1458a_100016268678_100000765312 [0,2,0,0,0,0|1,0,1]=4 4701 B10R0.19 COCC(C)C(=O)C#CCO 1458a_100000049017_100000765312 [0,2,0,0,0,0|1,0,1]=4 4702 B10R0.19 COCC(C)C(=O)CCC#N 1458a_100000751857_100011215226 [0,2,0,0,0,0|1,0,1]=4 4703 B10R0.19 COCC(C)C(=O)CCC#N 1458a_100011934036_100000765312 [0,2,0,0,0,0|1,0,1]=4 4704 B10R0.19 COCC(C)C(=O)CCCF 1458a_100000751857_100011934791 [0,2,0,0,0,0|1,0,0]=3 4705 B10R0.19 COCC(C)C(=O)CCCO 1458a_100000751857_100011215043 [0,2,0,0,0,0|1,0,0]=3 4706 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000174002_100000765312 [0,2,0,0,0,0|1,0,0]=3 4707 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000751857_100000751147 [0,2,0,0,0,0|1,0,0]=3 4708 B10R0.19 COCC(C)C(=O)NCC#N 1626a_100000734998_100000751857 [0,2,0,0,0,0|1,0,1]=4 4709 B10R0.19 COCC(C)C(=O)NCC#N 527a_100000734998_100000751857 [0,2,0,0,0,0|1,0,1]=4 4710 B10R0.19 COCC(C)C(=O)NCCF 11a_100000724931_100000751857 [0,2,0,0,0,0|1,0,0]=3 4711 B10R0.19 COCC(C)C(=O)NCCF 1626a_100000724931_100000751857 [0,2,0,0,0,0|1,0,0]=3 4712 B10R0.19 COCC(C)C(=O)NCCF 240690a_100000724931_100000751857 [0,2,0,0,0,0|1,0,0]=3 4713 B10R0.19 COCC(C)C(=O)NCCF 527a_100000724931_100000751857 [0,2,0,0,0,0|1,0,0]=3 4714 B10R0.19 COCC(C)C(=O)NCCO 240690a_100000210304_100000751857 [0,2,0,0,0,0|1,0,0]=3 4715 B10R0.19 COCC(C)C(=O)NCCO 527a_100000210304_100000751857 [0,2,0,0,0,0|1,0,0]=3 4716 B10R0.19 COCCC(=O)C(C)CC#N 1458a_100000749529_100009813641 [0,2,0,0,0,0|1,0,1]=4 4717 B10R0.19 COCCC(=O)C(C)CCO 1458a_100000749529_100009893172 [0,2,0,0,0,0|1,0,0]=3 4718 B10R0.19 COCCC(=O)C(C)COC 1458a_100000749529_100000765312 [0,2,0,0,0,0|1,0,0]=3 4719 B10R0.19 COCCC(=O)C(C)COC 1458a_100000751857_100000233755 [0,2,0,0,0,0|1,0,0]=3 4720 B10R0.19 COCCC(=O)C(C)CSC 1458a_100000753918_100000233755 [0,2,0,0,0,0|1,0,0]=3 4721 B10R0.19 COCCC(=O)N(C)CCO 240690a_100000210263_100000749529 [0,2,0,0,0,0|2,0,0]=4 4722 B10R0.19 COCCC(=O)N(C)CCO 527a_100000210263_100000749529 [0,2,0,0,0,0|2,0,0]=4 4723 B10R0.19 CSCC(C)C(=O)CCC#N 1458a_100000753918_100011215226 [0,2,0,0,0,0|1,0,1]=4 4724 B10R0.19 CSCC(C)C(=O)CCCF 1458a_100000753918_100011934791 [0,2,0,0,0,0|1,0,0]=3 4725 B10R0.19 CSCC(C)C(=O)CCCO 1458a_100000753918_100011215043 [0,2,0,0,0,0|1,0,0]=3 4726 B10R0.19 CSCC(C)C(=O)NCC#N 1626a_100000734998_100000753918 [0,2,0,0,0,0|1,0,1]=4 4727 B10R0.19 CSCC(C)C(=O)NCC#N 527a_100000734998_100000753918 [0,2,0,0,0,0|1,0,1]=4 4728 B10R0.19 CSCC(C)C(=O)NCCF 11a_100000724931_100000753918 [0,2,0,0,0,0|1,0,0]=3 4729 B10R0.19 CSCC(C)C(=O)NCCF 1626a_100000724931_100000753918 [0,2,0,0,0,0|1,0,0]=3 4730 B10R0.19 CSCC(C)C(=O)NCCF 240690a_100000724931_100000753918 [0,2,0,0,0,0|1,0,0]=3 4731 B10R0.19 CSCC(C)C(=O)NCCF 527a_100000724931_100000753918 [0,2,0,0,0,0|1,0,0]=3 4732 B10R0.19 CSCC(C)C(=O)NCCO 240690a_100000210304_100000753918 [0,2,0,0,0,0|1,0,0]=3 4733 B10R0.19 CSCC(C)C(=O)NCCO 527a_100000210304_100000753918 [0,2,0,0,0,0|1,0,0]=3 4734 B10R0.19 CSCCC(=O)C(C)CC#N 1458a_100000174002_100009813641 [0,2,0,0,0,0|1,0,1]=4 4735 B10R0.19 CSCCC(=O)C(C)CCO 1458a_100000174002_100009893172 [0,2,0,0,0,0|1,0,0]=3 4736 B10R0.19 CSCCC(=O)C(C)CSC 1458a_100000753918_100000751147 [0,2,0,0,0,0|1,0,0]=3 4737 B10R0.19 CSCCC(=O)N(C)CCO 240690a_100000210263_100000174002 [0,2,0,0,0,0|2,0,0]=4 4738 B10R0.19 CSCCC(=O)N(C)CCO 527a_100000210263_100000174002 [0,2,0,0,0,0|2,0,0]=4 4739 B10R0.21 C#CCCC(=O)C(CC)CC 1458a_100000211163_100000753159 [0,2,0,0,0,0|1,0,1]=4 4740 B10R0.21 C#CCCC(=O)C(CC)CC 1458a_100000692101_100000210505 [0,2,0,0,0,0|1,0,1]=4 4741 B10R0.21 C#CCCC(=O)C(CC)OC 1458a_100000747056_100000753159 [0,2,0,0,0,0|1,0,1]=4 4742 B10R0.21 C#CCNC(=O)C(CC)CC 11a_100000212058_100000211163 [0,2,0,0,0,0|1,0,1]=4 4743 B10R0.21 C#CCNC(=O)C(CC)CC 1626a_100000212058_100000211163 [0,2,0,0,0,0|1,0,1]=4 4744 B10R0.21 C#CCNC(=O)C(CC)CC 240690a_100000212058_100000211163 [0,2,0,0,0,0|1,0,1]=4 4745 B10R0.21 C#CCNC(=O)C(CC)CC 527a_100000212058_100000211163 [0,2,0,0,0,0|1,0,1]=4 4746 B10R0.21 C#CCNC(=O)C(CC)OC 11a_100000212058_100000747056 [0,2,0,0,0,0|1,0,1]=4 4747 B10R0.21 C#CCNC(=O)C(CC)OC 1626a_100000212058_100000747056 [0,2,0,0,0,0|1,0,1]=4 4748 B10R0.21 C#CCNC(=O)C(CC)OC 240690a_100000212058_100000747056 [0,2,0,0,0,0|1,0,1]=4 4749 B10R0.21 C#CCNC(=O)C(CC)OC 527a_100000212058_100000747056 [0,2,0,0,0,0|1,0,1]=4 4750 B10R0.21 C/C=C/CC(=O)C(CC)CC 1458a_100000211163_100102629194 [0,2,0,0,0,0|1,0,1]=4 4751 B10R0.21 C/C=C/CC(=O)C(CC)OC 1458a_100000747056_100102629194 [0,2,0,0,0,0|1,0,1]=4 4752 B10R0.21 C=CCCC(=O)C(CC)CC 1458a_100000211163_100000754431 [0,2,0,0,0,0|1,0,1]=4 4753 B10R0.21 C=CCCC(=O)C(CC)CC 1458a_100000749702_100000210505 [0,2,0,0,0,0|1,0,1]=4 4754 B10R0.21 C=CCCC(=O)C(CC)OC 1458a_100000747056_100000754431 [0,2,0,0,0,0|1,0,1]=4 4755 B10R0.21 C=CCNC(=O)C(CC)CC 1626a_100020586998_100000211163 [0,2,0,0,0,0|1,0,1]=4 4756 B10R0.21 C=CCNC(=O)C(CC)CC 240690a_100020586998_100000211163 [0,2,0,0,0,0|1,0,1]=4 4757 B10R0.21 C=CCNC(=O)C(CC)CC 527a_100020586998_100000211163 [0,2,0,0,0,0|1,0,1]=4 4758 B10R0.21 C=CCNC(=O)C(CC)OC 1626a_100020586998_100000747056 [0,2,0,0,0,0|1,0,1]=4 4759 B10R0.21 C=CCNC(=O)C(CC)OC 240690a_100020586998_100000747056 [0,2,0,0,0,0|1,0,1]=4 4760 B10R0.21 C=CCNC(=O)C(CC)OC 527a_100020586998_100000747056 [0,2,0,0,0,0|1,0,1]=4 4761 B10R0.21 CC#CCC(=O)C(CC)CC 1458a_100000211163_100000748600 [0,2,0,0,0,0|1,0,1]=4 4762 B10R0.21 CC#CCC(=O)C(CC)OC 1458a_100000747056_100000748600 [0,2,0,0,0,0|1,0,1]=4 4763 B10R0.21 CC=CCC(=O)C(CC)CC 1458a_100000211163_100000070051 [0,2,0,0,0,0|1,0,1]=4 4764 B10R0.21 CC=CCC(=O)C(CC)CC 1458a_100121576822_100000210505 [0,2,0,0,0,0|1,0,1]=4 4765 B10R0.21 CC=CCC(=O)C(CC)OC 1458a_100000747056_100000070051 [0,2,0,0,0,0|1,0,1]=4 4766 B10R0.21 CC=NNC(=O)C(CC)CC 4a_100000189835_200000210099 [0,2,0,0,0,0|1,0,1]=4 4767 B10R0.21 CC=NNC(=O)C(CC)OC 4a_100015186549_200000210099 [0,2,0,0,0,0|1,0,1]=4 4768 B10R0.21 CCC#CC(=O)C(CC)CC 1458a_100011827653_100000210505 [0,2,0,0,0,0|1,0,0]=3 4769 B10R0.21 CCC(CC)C(=O)C#CCO 1458a_100000049017_100000210505 [0,2,0,0,0,0|1,0,1]=4 4770 B10R0.21 CCC(CC)C(=O)C=COC 1458a_100016268678_100000210505 [0,2,0,0,0,0|1,0,1]=4 4771 B10R0.21 CCC(CC)C(=O)CCC#N 1458a_100000211163_100011215226 [0,2,0,0,0,0|1,0,1]=4 4772 B10R0.21 CCC(CC)C(=O)CCC#N 1458a_100011934036_100000210505 [0,2,0,0,0,0|1,0,1]=4 4773 B10R0.21 CCC(CC)C(=O)CCCF 1458a_100000211163_100011934791 [0,2,0,0,0,0|1,0,0]=3 4774 B10R0.21 CCC(CC)C(=O)CCCO 1458a_100000211163_100011215043 [0,2,0,0,0,0|1,0,0]=3 4775 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000211163_100000233755 [0,2,0,0,0,0|1,0,0]=3 4776 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000749529_100000210505 [0,2,0,0,0,0|1,0,0]=3 4777 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000174002_100000210505 [0,2,0,0,0,0|1,0,0]=3 4778 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000211163_100000751147 [0,2,0,0,0,0|1,0,0]=3 4779 B10R0.21 CCC(CC)C(=O)NCC#N 1626a_100000734998_100000211163 [0,2,0,0,0,0|1,0,1]=4 4780 B10R0.21 CCC(CC)C(=O)NCC#N 527a_100000734998_100000211163 [0,2,0,0,0,0|1,0,1]=4 4781 B10R0.21 CCC(CC)C(=O)NCCF 11a_100000724931_100000211163 [0,2,0,0,0,0|1,0,0]=3 4782 B10R0.21 CCC(CC)C(=O)NCCF 1626a_100000724931_100000211163 [0,2,0,0,0,0|1,0,0]=3 4783 B10R0.21 CCC(CC)C(=O)NCCF 240690a_100000724931_100000211163 [0,2,0,0,0,0|1,0,0]=3 4784 B10R0.21 CCC(CC)C(=O)NCCF 527a_100000724931_100000211163 [0,2,0,0,0,0|1,0,0]=3 4785 B10R0.21 CCC(CC)C(=O)NCCO 240690a_100000210304_100000211163 [0,2,0,0,0,0|1,0,0]=3 4786 B10R0.21 CCC(CC)C(=O)NCCO 527a_100000210304_100000211163 [0,2,0,0,0,0|1,0,0]=3 4787 B10R0.21 CCC(CC)C(=O)OCNC 2230a_106832991635_100000140015 [0,2,0,0,0,0|0,0,0]=2 4788 B10R0.21 CCC(CC)C(=O)OCNC 34a_100102657272_100000140015 [0,2,0,0,0,0|0,0,0]=2 4789 B10R0.21 CCC(CC)C(=O)OCNC 7a_106832991635_100000140015 [0,2,0,0,0,0|0,0,0]=2 4790 B10R0.21 CCC(CC)C(=O)OCOC 34a_100138415774_100000140015 [0,2,0,0,0,0|0,0,0]=2 4791 B10R0.21 CCC(CC)C(=O)OCSC 62a_100000140015_200000210301 [0,2,0,0,0,0|0,0,0]=2 4792 B10R0.21 CCC(CC)C(=O)OCSC 62a_200000210301_100000140015 [0,2,0,0,0,0|0,0,0]=2 4793 B10R0.21 CCC(CC)C(=O)OCS[13CH3] 62a_100000140015_200025704644 [0,2,0,0,0,0|0,0,0]=2 4794 B10R0.21 CCC(CC)C(=O)OCS[13CH3] 62a_200025704644_100000140015 [0,2,0,0,0,0|0,0,0]=2 4795 B10R0.21 CCC(OC)C(=O)CCC#N 1458a_100000747056_100011215226 [0,2,0,0,0,0|1,0,1]=4 4796 B10R0.21 CCC(OC)C(=O)CCCF 1458a_100000747056_100011934791 [0,2,0,0,0,0|1,0,0]=3 4797 B10R0.21 CCC(OC)C(=O)CCCO 1458a_100000747056_100011215043 [0,2,0,0,0,0|1,0,0]=3 4798 B10R0.21 CCC(OC)C(=O)CCOC 1458a_100000747056_100000233755 [0,2,0,0,0,0|1,0,0]=3 4799 B10R0.21 CCC(OC)C(=O)CCSC 1458a_100000747056_100000751147 [0,2,0,0,0,0|1,0,0]=3 4800 B10R0.21 CCC(OC)C(=O)NCC#N 1626a_100000734998_100000747056 [0,2,0,0,0,0|1,0,1]=4 4801 B10R0.21 CCC(OC)C(=O)NCC#N 527a_100000734998_100000747056 [0,2,0,0,0,0|1,0,1]=4 4802 B10R0.21 CCC(OC)C(=O)NCCF 11a_100000724931_100000747056 [0,2,0,0,0,0|1,0,0]=3 4803 B10R0.21 CCC(OC)C(=O)NCCF 1626a_100000724931_100000747056 [0,2,0,0,0,0|1,0,0]=3 4804 B10R0.21 CCC(OC)C(=O)NCCF 240690a_100000724931_100000747056 [0,2,0,0,0,0|1,0,0]=3 4805 B10R0.21 CCC(OC)C(=O)NCCF 527a_100000724931_100000747056 [0,2,0,0,0,0|1,0,0]=3 4806 B10R0.21 CCC(OC)C(=O)NCCO 240690a_100000210304_100000747056 [0,2,0,0,0,0|1,0,0]=3 4807 B10R0.21 CCC(OC)C(=O)NCCO 527a_100000210304_100000747056 [0,2,0,0,0,0|1,0,0]=3 4808 B10R0.21 CCC=CC(=O)C(CC)CC 1458a_100000212282_100000210505 [0,2,0,0,0,0|1,0,0]=3 4809 B10R0.21 CCC=CC(=O)N(CC)CC 11a_100000724800_100000212282 [0,2,0,0,0,0|2,0,0]=4 4810 B10R0.21 CCC=CC(=O)N(CC)CC 1626a_100000724800_100000212282 [0,2,0,0,0,0|2,0,0]=4 4811 B10R0.21 CCC=CC(=O)N(CC)CC 240690a_100000724800_100000212282 [0,2,0,0,0,0|2,0,0]=4 4812 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000210183_100000210505 [0,2,0,0,0,0|1,0,0]=3 4813 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000211163_100000210211 [0,2,0,0,0,0|1,0,0]=3 4814 B10R0.21 CCCCC(=O)C(CC)OC 1458a_100000747056_100000210211 [0,2,0,0,0,0|1,0,0]=3 4815 B10R0.21 CCCCC(=O)C(OC)OC 1458a_100000046285_100000210211 [0,2,0,0,0,0|2,0,0]=4 4816 B10R0.21 CCCCC(=O)N(CC)CC 11a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 4817 B10R0.21 CCCCC(=O)N(CC)CC 1626a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 4818 B10R0.21 CCCCC(=O)N(CC)CC 240690a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 4819 B10R0.21 CCCCC(=O)N(CC)CC 527a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 4820 B10R0.21 CCCNC(=O)C(CC)CC 11a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 4821 B10R0.21 CCCNC(=O)C(CC)CC 1626a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 4822 B10R0.21 CCCNC(=O)C(CC)CC 240690a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 4823 B10R0.21 CCCNC(=O)C(CC)CC 527a_100020643023_100000211163 [0,2,0,0,0,0|1,0,0]=3 4824 B10R0.21 CCCNC(=O)C(CC)NC 2230a_106832991635_200011763335 [0,2,0,0,0,0|1,0,0]=3 4825 B10R0.21 CCCNC(=O)C(CC)NC 7a_106832991635_200011763335 [0,2,0,0,0,0|1,0,0]=3 4826 B10R0.21 CCCNC(=O)C(CC)OC 11a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 4827 B10R0.21 CCCNC(=O)C(CC)OC 1626a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 4828 B10R0.21 CCCNC(=O)C(CC)OC 240690a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 4829 B10R0.21 CCCNC(=O)C(CC)OC 527a_100020643023_100000747056 [0,2,0,0,0,0|1,0,0]=3 4830 B10R0.21 CCCNC(=O)C(CC)SC 62a_200000210301_200011763335 [0,2,0,0,0,0|1,0,0]=3 4831 B10R0.21 CCCNC(=O)C(CC)SC 62a_200011763335_200000210301 [0,2,0,0,0,0|1,0,0]=3 4832 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200011763335_200025704644 [0,2,0,0,0,0|1,0,0]=3 4833 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200025704644_200011763335 [0,2,0,0,0,0|1,0,0]=3 4834 B10R0.21 CCCNC(=O)C(OC)OC 11a_100020643023_100000046285 [0,2,0,0,0,0|2,0,0]=4 4835 B10R0.21 CCCNC(=O)C(OC)OC 240690a_100020643023_100000046285 [0,2,0,0,0,0|2,0,0]=4 4836 B10R0.21 CCCNC(=O)C(OC)OC 527a_100020643023_100000046285 [0,2,0,0,0,0|2,0,0]=4 4837 B10R0.21 CCCNC(=O)N(CC)CC 2708a_100020643023_100000724800 [0,2,0,0,0,0|2,0,0]=4 4838 B10R0.21 CCCNC(=O)N(CC)CC 273464a_100020643023_100000724800 [0,2,0,0,0,0|2,0,0]=4 4839 B10R0.21 CCN(CC)C(=O)CCNC 2230a_106832991635_100011194432 [0,2,0,0,0,0|2,0,0]=4 4840 B10R0.21 CCN(CC)C(=O)CCNC 7a_106832991635_100011194432 [0,2,0,0,0,0|2,0,0]=4 4841 B10R0.21 CCN(CC)C(=O)CCOC 11a_100000724800_100000749529 [0,2,0,0,0,0|2,0,0]=4 4842 B10R0.21 CCN(CC)C(=O)CCOC 1626a_100000724800_100000749529 [0,2,0,0,0,0|2,0,0]=4 4843 B10R0.21 CCN(CC)C(=O)CCOC 240690a_100000724800_100000749529 [0,2,0,0,0,0|2,0,0]=4 4844 B10R0.21 CCN(CC)C(=O)CCOC 527a_100000724800_100000749529 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.21 CCN(CC)C(=O)CCSC 11a_100000724800_100000174002 [0,2,0,0,0,0|2,0,0]=4 4846 B10R0.21 CCN(CC)C(=O)CCSC 1626a_100000724800_100000174002 [0,2,0,0,0,0|2,0,0]=4 4847 B10R0.21 CCN(CC)C(=O)CCSC 240690a_100000724800_100000174002 [0,2,0,0,0,0|2,0,0]=4 4848 B10R0.21 CCN(CC)C(=O)CCSC 527a_100000724800_100000174002 [0,2,0,0,0,0|2,0,0]=4 4849 B10R0.21 CCN(CC)C(=O)CCSC 62a_200000210301_100011194432 [0,2,0,0,0,0|2,0,0]=4 4850 B10R0.21 CCN(CC)C(=O)CCS[13CH3] 62a_200025704644_100011194432 [0,2,0,0,0,0|2,0,0]=4 4851 B10R0.21 CCN(CC)C(=O)COCF 7a_200000238847_100015361967 [0,2,0,0,0,0|2,0,0]=4 4852 B10R0.21 CCN(CC)C(=O)NCCF 273464a_100000724931_100000724800 [0,2,0,0,0,0|2,0,0]=4 4853 B10R0.21 CCN(CC)C(=O)NCCO 273464a_100000210304_100000724800 [0,2,0,0,0,0|2,0,0]=4 4854 B10R0.21 CCN(CC)C(=O)OCNC 2230a_106832991635_100000140013 [0,2,0,0,0,0|1,0,0]=3 4855 B10R0.21 CCN(CC)C(=O)OCNC 7a_106832991635_100000140013 [0,2,0,0,0,0|1,0,0]=3 4856 B10R0.21 CCN(CC)C(=O)OCSC 62a_200000210301_100000140013 [0,2,0,0,0,0|1,0,0]=3 4857 B10R0.21 CCN(CC)C(=O)OCS[13CH3] 62a_200025704644_100000140013 [0,2,0,0,0,0|1,0,0]=3 4858 B10R0.21 CCNCC(=O)N(CC)CC 2230a_100000174916_100000210202 [0,2,0,0,0,0|2,0,0]=4 4859 B10R0.21 CCNCC(=O)N(CC)CC 2230a_100015525214_100000211521 [0,2,0,0,0,0|2,0,0]=4 4860 B10R0.21 CCNN=C(C)C(CC)CC 4a_100000756455_100011393642 [0,2,0,0,0,0|2,0,0]=4 4861 B10R0.21 CCNNC(=O)C(CC)CC 22a_100000756455_100000211163 [0,2,0,0,0,0|1,0,0]=3 4862 B10R0.21 CCNNC(=O)C(CC)OC 22a_100000756455_100000747056 [0,2,0,0,0,0|1,0,0]=3 4863 B10R0.21 CCNNC(=O)C(OC)OC 22a_100000756455_100000046285 [0,2,0,0,0,0|2,0,0]=4 4864 B10R0.21 CCOCC(=O)C(CC)CC 1458a_100000211967_100000210505 [0,2,0,0,0,0|0,0,0]=2 4865 B10R0.21 CCOCC(=O)N(CC)CC 11a_100000724800_100000211967 [0,2,0,0,0,0|1,0,0]=3 4866 B10R0.21 CCOCC(=O)N(CC)CC 1626a_100000724800_100000211967 [0,2,0,0,0,0|1,0,0]=3 4867 B10R0.21 CCOCC(=O)N(CC)CC 240690a_100000724800_100000211967 [0,2,0,0,0,0|1,0,0]=3 4868 B10R0.21 CCOCC(=O)N(CC)CC 34a_100121572206_100000211521 [0,2,0,0,0,0|1,0,0]=3 4869 B10R0.21 CCOCC(=O)N(CC)CC 527a_100000724800_100000211967 [0,2,0,0,0,0|1,0,0]=3 4870 B10R0.21 CCOCC(=O)N(CC)CC 7a_200000238847_100000210202 [0,2,0,0,0,0|1,0,0]=3 4871 B10R0.21 CCOCN(C)C(CC)CC 269982a_100000737045_100000739092 [0,2,0,0,0,0|2,0,0]=4 4872 B10R0.21 CCSCC(=O)C(CC)CC 1458a_100000230394_100000210505 [0,2,0,0,0,0|0,1,0]=3 4873 B10R0.21 CCSCC(=O)N(CC)CC 11a_100000724800_100000230394 [0,2,0,0,0,0|1,1,0]=4 4874 B10R0.21 CCSCC(=O)N(CC)CC 1626a_100000724800_100000230394 [0,2,0,0,0,0|1,1,0]=4 4875 B10R0.21 CCSCC(=O)N(CC)CC 240690a_100000724800_100000230394 [0,2,0,0,0,0|1,1,0]=4 4876 B10R0.21 CCSCC(=O)N(CC)CC 527a_100000724800_100000230394 [0,2,0,0,0,0|1,1,0]=4 4877 B10R0.21 CCSCC(=O)N(CC)CC 62a_100000210202_100000211521 [0,2,0,0,0,0|1,1,0]=4 4878 B10R0.21 CCSCC(=O)N(CC)CC 62a_100000211521_100000210202 [0,2,0,0,0,0|1,1,0]=4 4879 B10R0.21 COC(OC)C(=O)CCCF 1458a_100000046285_100011934791 [0,2,0,0,0,0|2,0,0]=4 4880 B10R0.21 COC(OC)C(=O)CCCO 1458a_100000046285_100011215043 [0,2,0,0,0,0|2,0,0]=4 4881 B10R0.21 COC(OC)C(=O)CCSC 1458a_100000046285_100000751147 [0,2,0,0,0,0|2,0,0]=4 4882 B10R0.21 COC(OC)C(=O)NCCF 11a_100000724931_100000046285 [0,2,0,0,0,0|2,0,0]=4 4883 B10R0.21 COC(OC)C(=O)NCCF 240690a_100000724931_100000046285 [0,2,0,0,0,0|2,0,0]=4 4884 B10R0.21 COC(OC)C(=O)NCCF 527a_100000724931_100000046285 [0,2,0,0,0,0|2,0,0]=4 4885 B10R0.21 COC(OC)C(=O)NCCO 240690a_100000210304_100000046285 [0,2,0,0,0,0|2,0,0]=4 4886 B10R0.21 COC(OC)C(=O)NCCO 527a_100000210304_100000046285 [0,2,0,0,0,0|2,0,0]=4 4887 B10R0.21 COCCC(=O)C(OC)OC 1458a_100000046285_100000233755 [0,2,0,0,0,0|2,0,0]=4 4888 B10R0.40 C#CC(C)(C)C(=O)COCC 1458a_100000211967_100000038118 [0,2,0,0,0,0|0,0,2]=4 4889 B10R0.40 C#CCCC(=O)C(C)(C)CC 1458a_100000749717_100000753159 [0,2,0,0,0,0|1,0,1]=4 4890 B10R0.40 C#CCCC(=O)C(C)(O)CC 1458a_100011219770_100000753159 [0,2,0,0,0,0|1,0,1]=4 4891 B10R0.40 C#CCNC(=O)C(C)(C)CC 11a_100000212058_100000749717 [0,2,0,0,0,0|1,0,1]=4 4892 B10R0.40 C#CCNC(=O)C(C)(C)CC 1626a_100000212058_100000749717 [0,2,0,0,0,0|1,0,1]=4 4893 B10R0.40 C#CCNC(=O)C(C)(C)CC 240690a_100000212058_100000749717 [0,2,0,0,0,0|1,0,1]=4 4894 B10R0.40 C#CCNC(=O)C(C)(C)CC 527a_100000212058_100000749717 [0,2,0,0,0,0|1,0,1]=4 4895 B10R0.40 C#CCNC(=O)C(C)(O)CC 240690a_100000212058_100011219770 [0,2,0,0,0,0|1,0,1]=4 4896 B10R0.40 C/C=C/CC(=O)C(C)(C)CC 1458a_100000749717_100102629194 [0,2,0,0,0,0|1,0,1]=4 4897 B10R0.40 C/C=C/CC(=O)C(C)(O)CC 1458a_100011219770_100102629194 [0,2,0,0,0,0|1,0,1]=4 4898 B10R0.40 C=CCCC(=O)C(C)(C)CC 1458a_100000749717_100000754431 [0,2,0,0,0,0|1,0,1]=4 4899 B10R0.40 C=CCCC(=O)C(C)(O)CC 1458a_100011219770_100000754431 [0,2,0,0,0,0|1,0,1]=4 4900 B10R0.40 C=CCNC(=O)C(C)(C)CC 1626a_100020586998_100000749717 [0,2,0,0,0,0|1,0,1]=4 4901 B10R0.40 C=CCNC(=O)C(C)(C)CC 240690a_100020586998_100000749717 [0,2,0,0,0,0|1,0,1]=4 4902 B10R0.40 C=CCNC(=O)C(C)(C)CC 527a_100020586998_100000749717 [0,2,0,0,0,0|1,0,1]=4 4903 B10R0.40 C=CCNC(=O)C(C)(O)CC 240690a_100020586998_100011219770 [0,2,0,0,0,0|1,0,1]=4 4904 B10R0.40 CC#CCC(=O)C(C)(C)CC 1458a_100000749717_100000748600 [0,2,0,0,0,0|1,0,1]=4 4905 B10R0.40 CC#CCC(=O)C(C)(O)CC 1458a_100011219770_100000748600 [0,2,0,0,0,0|1,0,1]=4 4906 B10R0.40 CC(C)(CF)C(=O)CCCF 1458a_100000138116_100011934791 [0,2,0,0,0,0|2,0,0]=4 4907 B10R0.40 CC(C)(CF)C(=O)CCCO 1458a_100000138116_100011215043 [0,2,0,0,0,0|2,0,0]=4 4908 B10R0.40 CC(C)(CF)C(=O)NCCF 11a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 4909 B10R0.40 CC(C)(CF)C(=O)NCCF 1626a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 4910 B10R0.40 CC(C)(CF)C(=O)NCCF 240690a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 4911 B10R0.40 CC(C)(CF)C(=O)NCCF 527a_100000724931_100000138116 [0,2,0,0,0,0|2,0,0]=4 4912 B10R0.40 CC(C)(CF)C(=O)NCCO 240690a_100000210304_100000138116 [0,2,0,0,0,0|2,0,0]=4 4913 B10R0.40 CC(C)(CF)C(=O)NCCO 527a_100000210304_100000138116 [0,2,0,0,0,0|2,0,0]=4 4914 B10R0.40 CC(C)(CO)C(=O)CCCF 1458a_100000749806_100011934791 [0,2,0,0,0,0|2,0,0]=4 4915 B10R0.40 CC(C)(CO)C(=O)CCCO 1458a_100000749806_100011215043 [0,2,0,0,0,0|2,0,0]=4 4916 B10R0.40 CC(C)(CO)C(=O)NCCF 1626a_100000724931_100000749806 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.40 CC(C)(CO)C(=O)NCCF 240690a_100000724931_100000749806 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.40 CC(C)(CO)C(=O)NCCF 527a_100000724931_100000749806 [0,2,0,0,0,0|2,0,0]=4 4919 B10R0.40 CC(C)(CO)C(=O)NCCO 240690a_100000210304_100000749806 [0,2,0,0,0,0|2,0,0]=4 4920 B10R0.40 CC(C)(CO)C(=O)NCCO 527a_100000210304_100000749806 [0,2,0,0,0,0|2,0,0]=4 4921 B10R0.40 CC(C)(S[13CH3])C(=O)OCCO 62a_100009817195_200025704644 [0,2,0,0,0,0|1,0,0]=3 4922 B10R0.40 CC(C)(S[13CH3])C(=O)OCCO 62a_200025704644_100009817195 [0,2,0,0,0,0|1,0,0]=3 4923 B10R0.40 CC=CCC(=O)C(C)(C)CC 1458a_100000749717_100000070051 [0,2,0,0,0,0|1,0,1]=4 4924 B10R0.40 CC=CCC(=O)C(C)(O)CC 1458a_100011219770_100000070051 [0,2,0,0,0,0|1,0,1]=4 4925 B10R0.40 CCC(C)(C)C(=O)CCC#N 1458a_100000749717_100011215226 [0,2,0,0,0,0|1,0,1]=4 4926 B10R0.40 CCC(C)(C)C(=O)CCCF 1458a_100000749717_100011934791 [0,2,0,0,0,0|1,0,0]=3 4927 B10R0.40 CCC(C)(C)C(=O)CCCO 1458a_100000749717_100011215043 [0,2,0,0,0,0|1,0,0]=3 4928 B10R0.40 CCC(C)(C)C(=O)CCOC 1458a_100000749717_100000233755 [0,2,0,0,0,0|1,0,0]=3 4929 B10R0.40 CCC(C)(C)C(=O)CCSC 1458a_100000749717_100000751147 [0,2,0,0,0,0|1,0,0]=3 4930 B10R0.40 CCC(C)(C)C(=O)NCC#N 1626a_100000734998_100000749717 [0,2,0,0,0,0|1,0,1]=4 4931 B10R0.40 CCC(C)(C)C(=O)NCC#N 527a_100000734998_100000749717 [0,2,0,0,0,0|1,0,1]=4 4932 B10R0.40 CCC(C)(C)C(=O)NCCF 11a_100000724931_100000749717 [0,2,0,0,0,0|1,0,0]=3 4933 B10R0.40 CCC(C)(C)C(=O)NCCF 1626a_100000724931_100000749717 [0,2,0,0,0,0|1,0,0]=3 4934 B10R0.40 CCC(C)(C)C(=O)NCCF 240690a_100000724931_100000749717 [0,2,0,0,0,0|1,0,0]=3 4935 B10R0.40 CCC(C)(C)C(=O)NCCF 527a_100000724931_100000749717 [0,2,0,0,0,0|1,0,0]=3 4936 B10R0.40 CCC(C)(C)C(=O)NCCO 240690a_100000210304_100000749717 [0,2,0,0,0,0|1,0,0]=3 4937 B10R0.40 CCC(C)(C)C(=O)NCCO 527a_100000210304_100000749717 [0,2,0,0,0,0|1,0,0]=3 4938 B10R0.40 CCC(C)(O)C(=O)CCC#N 1458a_100011219770_100011215226 [0,2,0,0,0,0|1,0,1]=4 4939 B10R0.40 CCC(C)(O)C(=O)CCCF 1458a_100011219770_100011934791 [0,2,0,0,0,0|1,0,0]=3 4940 B10R0.40 CCC(C)(O)C(=O)CCCO 1458a_100011219770_100011215043 [0,2,0,0,0,0|1,0,0]=3 4941 B10R0.40 CCC(C)(O)C(=O)CCOC 1458a_100011219770_100000233755 [0,2,0,0,0,0|1,0,0]=3 4942 B10R0.40 CCC(C)(O)C(=O)CCSC 1458a_100011219770_100000751147 [0,2,0,0,0,0|1,0,0]=3 4943 B10R0.40 CCC(C)(O)C(=O)NCCF 240690a_100000724931_100011219770 [0,2,0,0,0,0|1,0,0]=3 4944 B10R0.40 CCC(C)(O)C(=O)NCCO 240690a_100000210304_100011219770 [0,2,0,0,0,0|1,0,0]=3 4945 B10R0.40 CCC(F)(F)C(=O)CCCF 1458a_100000061896_100011934791 [0,2,0,0,0,0|2,0,0]=4 4946 B10R0.40 CCC(F)(F)C(=O)CCCO 1458a_100000061896_100011215043 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.40 CCC(F)(F)C(=O)CCOC 1458a_100000061896_100000233755 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.40 CCC(F)(F)C(=O)CCSC 1458a_100000061896_100000751147 [0,2,0,0,0,0|2,0,0]=4 4949 B10R0.40 CCC(F)(F)C(=O)NCCF 11a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 4950 B10R0.40 CCC(F)(F)C(=O)NCCF 1626a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 4951 B10R0.40 CCC(F)(F)C(=O)NCCF 240690a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 4952 B10R0.40 CCC(F)(F)C(=O)NCCF 527a_100000724931_100000061896 [0,2,0,0,0,0|2,0,0]=4 4953 B10R0.40 CCC(F)(F)C(=O)NCCO 240690a_100000210304_100000061896 [0,2,0,0,0,0|2,0,0]=4 4954 B10R0.40 CCC(F)(F)C(=O)NCCO 527a_100000210304_100000061896 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.40 CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210211 [0,2,0,0,0,0|1,0,0]=3 4956 B10R0.40 CCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210211 [0,2,0,0,0,0|2,0,0]=4 4957 B10R0.40 CCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210211 [0,2,0,0,0,0|2,0,0]=4 4958 B10R0.40 CCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210211 [0,2,0,0,0,0|2,0,0]=4 4959 B10R0.40 CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210211 [0,2,0,0,0,0|1,0,0]=3 4960 B10R0.40 CCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210211 [0,2,0,0,0,0|2,0,0]=4 4961 B10R0.40 CCCNC(=O)C(C)(C)CC 11a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 4962 B10R0.40 CCCNC(=O)C(C)(C)CC 1626a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 4963 B10R0.40 CCCNC(=O)C(C)(C)CC 240690a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 4964 B10R0.40 CCCNC(=O)C(C)(C)CC 527a_100020643023_100000749717 [0,2,0,0,0,0|1,0,0]=3 4965 B10R0.40 CCCNC(=O)C(C)(C)CF 11a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 4966 B10R0.40 CCCNC(=O)C(C)(C)CF 1626a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 4967 B10R0.40 CCCNC(=O)C(C)(C)CF 240690a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 4968 B10R0.40 CCCNC(=O)C(C)(C)CF 527a_100020643023_100000138116 [0,2,0,0,0,0|2,0,0]=4 4969 B10R0.40 CCCNC(=O)C(C)(C)CO 1626a_100020643023_100000749806 [0,2,0,0,0,0|2,0,0]=4 4970 B10R0.40 CCCNC(=O)C(C)(C)CO 240690a_100020643023_100000749806 [0,2,0,0,0,0|2,0,0]=4 4971 B10R0.40 CCCNC(=O)C(C)(C)CO 527a_100020643023_100000749806 [0,2,0,0,0,0|2,0,0]=4 4972 B10R0.40 CCCNC(=O)C(C)(C)OC 11a_100020643023_100000753492 [0,2,0,0,0,0|2,0,0]=4 4973 B10R0.40 CCCNC(=O)C(C)(C)OC 1626a_100020643023_100000753492 [0,2,0,0,0,0|2,0,0]=4 4974 B10R0.40 CCCNC(=O)C(C)(C)OC 240690a_100020643023_100000753492 [0,2,0,0,0,0|2,0,0]=4 4975 B10R0.40 CCCNC(=O)C(C)(C)OC 527a_100020643023_100000753492 [0,2,0,0,0,0|2,0,0]=4 4976 B10R0.40 CCCNC(=O)C(C)(O)CC 240690a_100020643023_100011219770 [0,2,0,0,0,0|1,0,0]=3 4977 B10R0.40 CCCNC(=O)C(F)(F)CC 11a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 4978 B10R0.40 CCCNC(=O)C(F)(F)CC 1626a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 4979 B10R0.40 CCCNC(=O)C(F)(F)CC 240690a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 4980 B10R0.40 CCCNC(=O)C(F)(F)CC 527a_100020643023_100000061896 [0,2,0,0,0,0|2,0,0]=4 4981 B10R0.40 CCNN=C(C)C(C)(C)CC 4a_100000756455_100000694642 [0,2,0,0,0,0|2,0,0]=4 4982 B10R0.40 CCNNC(=O)C(C)(C)CC 22a_100000756455_100000749717 [0,2,0,0,0,0|1,0,0]=3 4983 B10R0.40 CCNNC(=O)C(C)(C)CF 22a_100000756455_100000138116 [0,2,0,0,0,0|2,0,0]=4 4984 B10R0.40 CCNNC(=O)C(C)(C)CO 22a_100000756455_100000749806 [0,2,0,0,0,0|2,0,0]=4 4985 B10R0.40 CCNNC(=O)C(C)(C)OC 22a_100000756455_100000753492 [0,2,0,0,0,0|2,0,0]=4 4986 B10R0.40 CCNNC(=O)C(C)(O)CC 22a_100000756455_100011219770 [0,2,0,0,0,0|1,0,0]=3 4987 B10R0.40 CCNNC(=O)C(F)(F)CC 22a_100000756455_100000061896 [0,2,0,0,0,0|2,0,0]=4 4988 B10R0.40 CCOCN(C)C(C)(C)CC 269982a_200000755171_100000739092 [0,2,0,0,0,0|2,0,0]=4 4989 B10R0.40 CNC(C)(C)C(=O)OCCO 2230a_106832991635_100009817195 [0,2,0,0,0,0|1,0,0]=3 4990 B10R0.40 CNC(C)(C)C(=O)OCCO 34a_100102657272_100009817195 [0,2,0,0,0,0|1,0,0]=3 4991 B10R0.40 CNC(C)(C)C(=O)OCCO 7a_106832991635_100009817195 [0,2,0,0,0,0|1,0,0]=3 4992 B10R0.40 COC(C)(C)C(=O)CCCF 1458a_100000753492_100011934791 [0,2,0,0,0,0|2,0,0]=4 4993 B10R0.40 COC(C)(C)C(=O)CCCO 1458a_100000753492_100011215043 [0,2,0,0,0,0|2,0,0]=4 4994 B10R0.40 COC(C)(C)C(=O)CCSC 1458a_100000753492_100000751147 [0,2,0,0,0,0|2,0,0]=4 4995 B10R0.40 COC(C)(C)C(=O)NCCF 11a_100000724931_100000753492 [0,2,0,0,0,0|2,0,0]=4 4996 B10R0.40 COC(C)(C)C(=O)NCCF 1626a_100000724931_100000753492 [0,2,0,0,0,0|2,0,0]=4 4997 B10R0.40 COC(C)(C)C(=O)NCCF 240690a_100000724931_100000753492 [0,2,0,0,0,0|2,0,0]=4 4998 B10R0.40 COC(C)(C)C(=O)NCCF 527a_100000724931_100000753492 [0,2,0,0,0,0|2,0,0]=4 4999 B10R0.40 COC(C)(C)C(=O)NCCO 240690a_100000210304_100000753492 [0,2,0,0,0,0|2,0,0]=4 5000 B10R0.40 COC(C)(C)C(=O)NCCO 527a_100000210304_100000753492 [0,2,0,0,0,0|2,0,0]=4 5001 B10R0.40 COC(C)(C)C(=O)OCCO 34a_100138415774_100009817195 [0,2,0,0,0,0|1,0,0]=3 5002 B10R0.40 COCCC(=O)C(C)(C)CF 1458a_100000138116_100000233755 [0,2,0,0,0,0|2,0,0]=4 5003 B10R0.40 COCCC(=O)C(C)(C)CO 1458a_100000749806_100000233755 [0,2,0,0,0,0|2,0,0]=4 5004 B10R0.40 COCCC(=O)C(C)(C)OC 1458a_100000753492_100000233755 [0,2,0,0,0,0|2,0,0]=4 5005 B10R0.40 CSC(C)(C)C(=O)OCCO 62a_100009817195_200000210301 [0,2,0,0,0,0|1,0,0]=3 5006 B10R0.40 CSC(C)(C)C(=O)OCCO 62a_200000210301_100009817195 [0,2,0,0,0,0|1,0,0]=3 5007 B10R0.40 CSCCC(=O)C(C)(C)CF 1458a_100000138116_100000751147 [0,2,0,0,0,0|2,0,0]=4 5008 B10R0.40 CSCCC(=O)C(C)(C)CO 1458a_100000749806_100000751147 [0,2,0,0,0,0|2,0,0]=4 5009 B10R0.57 C#CC(C)C(=O)COC(C)C 1458a_100000745533_200000035995 [0,2,0,0,0,0|0,0,2]=4 5010 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,2,0,0,0,0|1,0,0]=3 5011 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,2,0,0,0,0|1,0,0]=3 5012 B10R0.57 C=C(C)CCC(=O)C(C)OC 1458a_100000743197_100000730704 [0,2,0,0,0,0|2,0,0]=4 5013 B10R0.57 C=C(C)CCC(=O)C(C)SC 1458a_100000149566_100000730704 [0,2,0,0,0,0|2,0,0]=4 5014 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,2,0,0,0,0|2,0,0]=4 5015 B10R0.57 C=C(C)CCC(=O)N(C)CC 11a_100000225621_200000688413 [0,2,0,0,0,0|2,0,0]=4 5016 B10R0.57 C=C(C)CCC(=O)N(C)CC 1626a_100000225621_200000688413 [0,2,0,0,0,0|2,0,0]=4 5017 B10R0.57 C=C(C)CCC(=O)N(C)CC 240690a_100000225621_200000688413 [0,2,0,0,0,0|2,0,0]=4 5018 B10R0.57 C=C(C)CCC(=O)N(C)CC 527a_100000225621_200000688413 [0,2,0,0,0,0|2,0,0]=4 5019 B10R0.57 C=C(C)CNC(=O)C(C)CC 11a_100000765925_100011192722 [0,2,0,0,0,0|1,0,0]=3 5020 B10R0.57 C=C(C)CNC(=O)C(C)CC 1626a_100000765925_100011192722 [0,2,0,0,0,0|1,0,0]=3 5021 B10R0.57 C=C(C)CNC(=O)C(C)CC 240690a_100000765925_100011192722 [0,2,0,0,0,0|1,0,0]=3 5022 B10R0.57 C=C(C)CNC(=O)C(C)CC 527a_100000765925_100011192722 [0,2,0,0,0,0|1,0,0]=3 5023 B10R0.57 C=C(C)CNC(=O)C(C)OC 11a_100000765925_100000743197 [0,2,0,0,0,0|2,0,0]=4 5024 B10R0.57 C=C(C)CNC(=O)C(C)OC 1626a_100000765925_100000743197 [0,2,0,0,0,0|2,0,0]=4 5025 B10R0.57 C=C(C)CNC(=O)C(C)OC 240690a_100000765925_100000743197 [0,2,0,0,0,0|2,0,0]=4 5026 B10R0.57 C=C(C)CNC(=O)C(C)OC 527a_100000765925_100000743197 [0,2,0,0,0,0|2,0,0]=4 5027 B10R0.57 C=C(C)CNC(=O)C(C)SC 11a_100000765925_100000149566 [0,2,0,0,0,0|2,0,0]=4 5028 B10R0.57 C=C(C)CNC(=O)C(C)SC 1626a_100000765925_100000149566 [0,2,0,0,0,0|2,0,0]=4 5029 B10R0.57 C=C(C)CNC(=O)C(C)SC 240690a_100000765925_100000149566 [0,2,0,0,0,0|2,0,0]=4 5030 B10R0.57 C=C(C)CNC(=O)C(C)SC 527a_100000765925_100000149566 [0,2,0,0,0,0|2,0,0]=4 5031 B10R0.57 C=C(C)CNC(=O)C(O)CC 240690a_100000765925_100011196387 [0,2,0,0,0,0|2,0,0]=4 5032 B10R0.57 C=C(C)CNC(=O)N(C)CC 2708a_100000765925_100000225621 [0,2,0,0,0,0|2,0,0]=4 5033 B10R0.57 C=C(C)CNC(=O)N(C)CC 273464a_100000765925_100000225621 [0,2,0,0,0,0|2,0,0]=4 5034 B10R0.57 C=C(C)COC(C)C(C)CC 7a_100011215189_100000748629 [0,2,0,0,0,0|1,0,1]=4 5035 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 2230a_100025753496_200025704644 [0,2,0,0,0,0|2,0,0]=4 5036 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 34a_100025753496_200025704644 [0,2,0,0,0,0|2,0,0]=4 5037 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_100000230289_200025704644 [0,2,0,0,0,0|2,0,0]=4 5038 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_200025704644_100000230289 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.57 CC(C)OCC(=O)C(C)C#N 1458a_100000745533_100000703298 [0,2,0,0,0,0|1,0,1]=4 5040 B10R0.57 CCC(C)C(=NNC(C)C)C 4a_100000741168_100000210599 [0,2,0,0,0,0|2,0,0]=4 5041 B10R0.57 CCC(C)C(=O)C=CC(C)C 1458a_100016268746_100000758301 [0,2,0,0,0,0|1,0,0]=3 5042 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [0,2,0,0,0,0|1,0,1]=4 5043 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [0,2,0,0,0,0|1,0,1]=4 5044 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,2,0,0,0,0|1,0,1]=4 5045 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,2,0,0,0,0|1,0,0]=3 5046 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,2,0,0,0,0|1,0,0]=3 5047 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,2,0,0,0,0|1,0,0]=3 5048 B10R0.57 CCC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000758301 [0,2,0,0,0,0|2,0,0]=4 5049 B10R0.57 CCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000758301 [0,2,0,0,0,0|1,0,0]=3 5050 B10R0.57 CCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000758301 [0,2,0,0,0,0|1,0,1]=4 5051 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,2,0,0,0,0|0,0,1]=3 5052 B10R0.57 CCC(C)C(=O)COC(C)C 1458a_100000745533_100000758301 [0,2,0,0,0,0|0,0,0]=2 5053 B10R0.57 CCC(C)C(=O)COC(F)F 1458a_200000719455_100000758301 [0,2,0,0,0,0|1,0,0]=3 5054 B10R0.57 CCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000758301 [0,2,0,0,0,0|0,1,1]=4 5055 B10R0.57 CCC(C)C(=O)CSC(C)C 1458a_100000241585_100000758301 [0,2,0,0,0,0|0,1,0]=3 5056 B10R0.57 CCC(C)C(=O)CSC(F)F 1458a_114828291038_100000758301 [0,2,0,0,0,0|1,1,0]=4 5057 B10R0.57 CCC(C)C(=O)NCC(=O)C 1458a_100000743532_200000210301 [0,2,0,0,0,0|1,0,0]=3 5058 B10R0.57 CCC(C)C(=O)NCC(=O)N 11a_100000711301_100011192722 [0,2,0,0,0,0|1,0,1]=4 5059 B10R0.57 CCC(C)C(=O)NCC(=O)N 240690a_100000711301_100011192722 [0,2,0,0,0,0|1,0,1]=4 5060 B10R0.57 CCC(C)C(=O)NCC(=O)N 527a_100000711301_100011192722 [0,2,0,0,0,0|1,0,1]=4 5061 B10R0.57 CCC(C)C(=O)NCC(=O)[13CH3] 1458a_100000743532_200025704644 [0,2,0,0,0,0|1,0,0]=3 5062 B10R0.57 CCC(C)C(=O)NCC(C)C 11a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 5063 B10R0.57 CCC(C)C(=O)NCC(C)C 1626a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 5064 B10R0.57 CCC(C)C(=O)NCC(C)C 240690a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 5065 B10R0.57 CCC(C)C(=O)NCC(C)C 527a_100000210953_100011192722 [0,2,0,0,0,0|1,0,0]=3 5066 B10R0.57 CCC(C)C(=O)NCC(C)O 11a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 5067 B10R0.57 CCC(C)C(=O)NCC(C)O 240690a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 5068 B10R0.57 CCC(C)C(=O)NCC(C)O 527a_100000210904_100011192722 [0,2,0,0,0,0|1,0,0]=3 5069 B10R0.57 CCC(C)C(=O)NCC(F)F 11a_100000765723_100011192722 [0,2,0,0,0,0|1,0,0]=3 5070 B10R0.57 CCC(C)C(=O)NCC(F)F 1626a_100000765723_100011192722 [0,2,0,0,0,0|1,0,0]=3 5071 B10R0.57 CCC(C)C(=O)NCC(F)F 240690a_100000765723_100011192722 [0,2,0,0,0,0|1,0,0]=3 5072 B10R0.57 CCC(C)C(=O)NCC(F)F 527a_100000765723_100011192722 [0,2,0,0,0,0|1,0,0]=3 5073 B10R0.57 CCC(C)C(=O)NNC(=O)C 22a_100000189765_100011192722 [0,2,0,0,0,0|1,0,1]=4 5074 B10R0.57 CCC(C)C(=O)NNC(=O)C 22a_100000740736_100000070787 [0,2,0,0,0,0|1,0,1]=4 5075 B10R0.57 CCC(C)C(=O)NNC(C)C 22a_100000741168_100011192722 [0,2,0,0,0,0|1,0,0]=3 5076 B10R0.57 CCC(C)C(C)OCC(C)C 7a_100011215189_100000210760 [0,2,0,0,0,0|1,0,1]=4 5077 B10R0.57 CCC(C)C(C)OCC(C)O 7a_100011215189_100011218427 [0,2,0,0,0,0|1,0,1]=4 5078 B10R0.57 CCC(C)C(C)OCC(F)F 7a_100011215189_100011934356 [0,2,0,0,0,0|1,0,1]=4 5079 B10R0.57 CCC(C)C(C)OC[C@@H](C)O 7a_100011215189_100009817552 [0,2,0,0,0,0|1,0,1]=4 5080 B10R0.57 CCC(C)N(C)COC(C)C 2230a_100000741768_100000709892 [0,2,0,0,0,0|2,0,0]=4 5081 B10R0.57 CCC(C)N(C)COC(C)C 269982a_100000741768_100000709892 [0,2,0,0,0,0|2,0,0]=4 5082 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,2,0,0,0,0|2,0,0]=4 5083 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,2,0,0,0,0|2,0,0]=4 5084 B10R0.57 CCC(O)C(=O)NCC(C)C 240690a_100000210953_100011196387 [0,2,0,0,0,0|2,0,0]=4 5085 B10R0.57 CCC(O)C(=O)NCC(C)O 240690a_100000210904_100011196387 [0,2,0,0,0,0|2,0,0]=4 5086 B10R0.57 CCC(O)C(=O)NCC(F)F 240690a_100000765723_100011196387 [0,2,0,0,0,0|2,0,0]=4 5087 B10R0.57 CCC(O)C(=O)NNC(C)C 22a_100000741168_100011196387 [0,2,0,0,0,0|2,0,0]=4 5088 B10R0.57 CCN(C)C(=O)C=CC(C)C 11a_100000225621_100016268746 [0,2,0,0,0,0|2,0,0]=4 5089 B10R0.57 CCN(C)C(=O)C=CC(C)C 1626a_100000225621_100016268746 [0,2,0,0,0,0|2,0,0]=4 5090 B10R0.57 CCN(C)C(=O)C=CC(C)C 240690a_100000225621_100016268746 [0,2,0,0,0,0|2,0,0]=4 5091 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 5092 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 5093 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 5094 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 5095 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,2,0,0,0,0|2,0,0]=4 5096 B10R0.57 CCN(C)C(=O)CCN(C)C 11a_100000225621_100000689311 [0,2,0,0,0,0|2,0,0]=4 5097 B10R0.57 CCN(C)C(=O)CCN(C)C 240690a_100000225621_100000689311 [0,2,0,0,0,0|2,0,0]=4 5098 B10R0.57 CCN(C)C(=O)CCN(C)C 527a_100000225621_100000689311 [0,2,0,0,0,0|2,0,0]=4 5099 B10R0.57 CCN(C)C(=O)CC[S+](C)C 11a_100000225621_100009452791 [0,2,0,0,0,0|2,0,0]=4 5100 B10R0.57 CCN(C)C(=O)CC[S+](C)C 1626a_100000225621_100009452791 [0,2,0,0,0,0|2,0,0]=4 5101 B10R0.57 CCN(C)C(=O)CC[S+](C)C 240690a_100000225621_100009452791 [0,2,0,0,0,0|2,0,0]=4 5102 B10R0.57 CCN(C)C(=O)CNC(C)C 2230a_100138425928_100000738999 [0,2,0,0,0,0|2,0,0]=4 5103 B10R0.57 CCN(C)C(=O)CNC(C)C 34a_100138425928_100000738999 [0,2,0,0,0,0|2,0,0]=4 5104 B10R0.57 CCN(C)C(=O)COC(=O)C 1626a_100000225621_100000183556 [0,2,0,0,0,0|1,0,1]=4 5105 B10R0.57 CCN(C)C(=O)COC(=O)C 240690a_100000225621_100000183556 [0,2,0,0,0,0|1,0,1]=4 5106 B10R0.57 CCN(C)C(=O)COC(=O)C 527a_100000225621_100000183556 [0,2,0,0,0,0|1,0,1]=4 5107 B10R0.57 CCN(C)C(=O)COC(C)C 11a_100000225621_100000745533 [0,2,0,0,0,0|1,0,0]=3 5108 B10R0.57 CCN(C)C(=O)COC(C)C 1626a_100000225621_100000745533 [0,2,0,0,0,0|1,0,0]=3 5109 B10R0.57 CCN(C)C(=O)COC(C)C 240690a_100000225621_100000745533 [0,2,0,0,0,0|1,0,0]=3 5110 B10R0.57 CCN(C)C(=O)COC(C)C 34a_100000212225_100000738999 [0,2,0,0,0,0|1,0,0]=3 5111 B10R0.57 CCN(C)C(=O)COC(C)C 527a_100000225621_100000745533 [0,2,0,0,0,0|1,0,0]=3 5112 B10R0.57 CCN(C)C(=O)COC(F)F 11a_100000225621_200000719455 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.57 CCN(C)C(=O)COC(F)F 1626a_100000225621_200000719455 [0,2,0,0,0,0|2,0,0]=4 5114 B10R0.57 CCN(C)C(=O)COC(F)F 240690a_100000225621_200000719455 [0,2,0,0,0,0|2,0,0]=4 5115 B10R0.57 CCN(C)C(=O)COC(F)F 527a_100000225621_200000719455 [0,2,0,0,0,0|2,0,0]=4 5116 B10R0.57 CCN(C)C(=O)CSC(C)C 11a_100000225621_100000241585 [0,2,0,0,0,0|1,1,0]=4 5117 B10R0.57 CCN(C)C(=O)CSC(C)C 1626a_100000225621_100000241585 [0,2,0,0,0,0|1,1,0]=4 5118 B10R0.57 CCN(C)C(=O)CSC(C)C 240690a_100000225621_100000241585 [0,2,0,0,0,0|1,1,0]=4 5119 B10R0.57 CCN(C)C(=O)CSC(C)C 527a_100000225621_100000241585 [0,2,0,0,0,0|1,1,0]=4 5120 B10R0.57 CCN(C)C(=O)CSC(C)C 62a_100000210206_100000738999 [0,2,0,0,0,0|1,1,0]=4 5121 B10R0.57 CCN(C)C(=O)CSC(C)C 62a_100000738999_100000210206 [0,2,0,0,0,0|1,1,0]=4 5122 B10R0.57 CCN(C)C(=O)NCC(C)C 2708a_100000210953_100000225621 [0,2,0,0,0,0|2,0,0]=4 5123 B10R0.57 CCN(C)C(=O)NCC(C)C 273464a_100000210953_100000225621 [0,2,0,0,0,0|2,0,0]=4 5124 B10R0.57 CCN(C)C(=O)NCC(C)O 273464a_100000210904_100000225621 [0,2,0,0,0,0|2,0,0]=4 5125 B10R0.57 CCN(C)C(=O)NCC(F)F 273464a_100000765723_100000225621 [0,2,0,0,0,0|2,0,0]=4 5126 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_100025753496_200000210301 [0,2,0,0,0,0|2,0,0]=4 5127 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_106832991635_100000230289 [0,2,0,0,0,0|2,0,0]=4 5128 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100025753496_200000210301 [0,2,0,0,0,0|2,0,0]=4 5129 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100102657272_100000230289 [0,2,0,0,0,0|2,0,0]=4 5130 B10R0.57 CNC(C)C(=O)NCC(C)C 7a_106832991635_100000230289 [0,2,0,0,0,0|2,0,0]=4 5131 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [0,2,0,0,0,0|2,0,0]=4 5132 B10R0.57 COC(C)C(=O)CCC(C)O 1458a_100000743197_100012276601 [0,2,0,0,0,0|2,0,0]=4 5133 B10R0.57 COC(C)C(=O)NCC(C)C 11a_100000210953_100000743197 [0,2,0,0,0,0|2,0,0]=4 5134 B10R0.57 COC(C)C(=O)NCC(C)C 1626a_100000210953_100000743197 [0,2,0,0,0,0|2,0,0]=4 5135 B10R0.57 COC(C)C(=O)NCC(C)C 240690a_100000210953_100000743197 [0,2,0,0,0,0|2,0,0]=4 5136 B10R0.57 COC(C)C(=O)NCC(C)C 34a_100138415774_100000230289 [0,2,0,0,0,0|2,0,0]=4 5137 B10R0.57 COC(C)C(=O)NCC(C)C 527a_100000210953_100000743197 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.57 COC(C)C(=O)NCC(C)O 11a_100000210904_100000743197 [0,2,0,0,0,0|2,0,0]=4 5139 B10R0.57 COC(C)C(=O)NCC(C)O 240690a_100000210904_100000743197 [0,2,0,0,0,0|2,0,0]=4 5140 B10R0.57 COC(C)C(=O)NCC(C)O 527a_100000210904_100000743197 [0,2,0,0,0,0|2,0,0]=4 5141 B10R0.57 COC(C)C(=O)NCC(F)F 11a_100000765723_100000743197 [0,2,0,0,0,0|2,0,0]=4 5142 B10R0.57 COC(C)C(=O)NCC(F)F 1626a_100000765723_100000743197 [0,2,0,0,0,0|2,0,0]=4 5143 B10R0.57 COC(C)C(=O)NCC(F)F 240690a_100000765723_100000743197 [0,2,0,0,0,0|2,0,0]=4 5144 B10R0.57 COC(C)C(=O)NCC(F)F 527a_100000765723_100000743197 [0,2,0,0,0,0|2,0,0]=4 5145 B10R0.57 COC(C)C(=O)NNC(C)C 22a_100000741168_100000743197 [0,2,0,0,0,0|2,0,0]=4 5146 B10R0.57 CSC(C)C(=O)CCC(C)C 1458a_100000149566_100000210312 [0,2,0,0,0,0|2,0,0]=4 5147 B10R0.57 CSC(C)C(=O)CCC(C)O 1458a_100000149566_100012276601 [0,2,0,0,0,0|2,0,0]=4 5148 B10R0.57 CSC(C)C(=O)NCC(C)C 11a_100000210953_100000149566 [0,2,0,0,0,0|2,0,0]=4 5149 B10R0.57 CSC(C)C(=O)NCC(C)C 1626a_100000210953_100000149566 [0,2,0,0,0,0|2,0,0]=4 5150 B10R0.57 CSC(C)C(=O)NCC(C)C 240690a_100000210953_100000149566 [0,2,0,0,0,0|2,0,0]=4 5151 B10R0.57 CSC(C)C(=O)NCC(C)C 527a_100000210953_100000149566 [0,2,0,0,0,0|2,0,0]=4 5152 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_100000230289_200000210301 [0,2,0,0,0,0|2,0,0]=4 5153 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_200000210301_100000230289 [0,2,0,0,0,0|2,0,0]=4 5154 B10R0.57 CSC(C)C(=O)NCC(C)O 11a_100000210904_100000149566 [0,2,0,0,0,0|2,0,0]=4 5155 B10R0.57 CSC(C)C(=O)NCC(C)O 240690a_100000210904_100000149566 [0,2,0,0,0,0|2,0,0]=4 5156 B10R0.57 CSC(C)C(=O)NCC(C)O 527a_100000210904_100000149566 [0,2,0,0,0,0|2,0,0]=4 5157 B10R0.57 CSC(C)C(=O)NCC(F)F 11a_100000765723_100000149566 [0,2,0,0,0,0|2,0,0]=4 5158 B10R0.57 CSC(C)C(=O)NCC(F)F 1626a_100000765723_100000149566 [0,2,0,0,0,0|2,0,0]=4 5159 B10R0.57 CSC(C)C(=O)NCC(F)F 240690a_100000765723_100000149566 [0,2,0,0,0,0|2,0,0]=4 5160 B10R0.57 CSC(C)C(=O)NCC(F)F 527a_100000765723_100000149566 [0,2,0,0,0,0|2,0,0]=4 5161 B10R0.57 CSC(C)C(=O)NNC(C)C 22a_100000741168_100000149566 [0,2,0,0,0,0|2,0,0]=4 5162 B10R0.83 C#CC(C)C(=O)C=COCC 1458a_100016266692_200000035995 [0,2,0,0,0,0|0,0,2]=4 5163 B10R0.83 C#CC(C)C(=O)CCOCC 1458a_100000749530_200000035995 [0,2,0,0,0,0|0,0,2]=4 5164 B10R0.83 C#CC(C)C(=O)COCCC 1458a_100000745993_200000035995 [0,2,0,0,0,0|0,0,2]=4 5165 B10R0.83 C#CC(C)C(=O)COCCO 1458a_100000708028_200000035995 [0,2,0,0,0,0|0,0,2]=4 5166 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100000690238_100000758301 [0,2,0,0,0,0|1,0,0]=3 5167 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100011192722_100000731252 [0,2,0,0,0,0|1,0,0]=3 5168 B10R0.83 C#CCCCC(=O)C(C)OC 1458a_100000743197_100000731252 [0,2,0,0,0,0|2,0,0]=4 5169 B10R0.83 C#CCCCC(=O)C(C)SC 1458a_100000149566_100000731252 [0,2,0,0,0,0|2,0,0]=4 5170 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [0,2,0,0,0,0|2,0,0]=4 5171 B10R0.83 C#CCCCC(=O)N(C)CC 11a_100000225621_100000690238 [0,2,0,0,0,0|2,0,0]=4 5172 B10R0.83 C#CCCCC(=O)N(C)CC 1626a_100000225621_100000690238 [0,2,0,0,0,0|2,0,0]=4 5173 B10R0.83 C#CCCCC(=O)N(C)CC 240690a_100000225621_100000690238 [0,2,0,0,0,0|2,0,0]=4 5174 B10R0.83 C#CCCCC(=O)N(C)CC 527a_100000225621_100000690238 [0,2,0,0,0,0|2,0,0]=4 5175 B10R0.83 C#CCCNC(=O)C(C)CC 11a_100000755551_100011192722 [0,2,0,0,0,0|1,0,0]=3 5176 B10R0.83 C#CCCNC(=O)C(C)CC 1626a_100000755551_100011192722 [0,2,0,0,0,0|1,0,0]=3 5177 B10R0.83 C#CCCNC(=O)C(C)CC 240690a_100000755551_100011192722 [0,2,0,0,0,0|1,0,0]=3 5178 B10R0.83 C#CCCNC(=O)C(C)CC 527a_100000755551_100011192722 [0,2,0,0,0,0|1,0,0]=3 5179 B10R0.83 C#CCCNC(=O)C(C)OC 11a_100000755551_100000743197 [0,2,0,0,0,0|2,0,0]=4 5180 B10R0.83 C#CCCNC(=O)C(C)OC 1626a_100000755551_100000743197 [0,2,0,0,0,0|2,0,0]=4 5181 B10R0.83 C#CCCNC(=O)C(C)OC 240690a_100000755551_100000743197 [0,2,0,0,0,0|2,0,0]=4 5182 B10R0.83 C#CCCNC(=O)C(C)OC 527a_100000755551_100000743197 [0,2,0,0,0,0|2,0,0]=4 5183 B10R0.83 C#CCCNC(=O)C(C)SC 11a_100000755551_100000149566 [0,2,0,0,0,0|2,0,0]=4 5184 B10R0.83 C#CCCNC(=O)C(C)SC 1626a_100000755551_100000149566 [0,2,0,0,0,0|2,0,0]=4 5185 B10R0.83 C#CCCNC(=O)C(C)SC 240690a_100000755551_100000149566 [0,2,0,0,0,0|2,0,0]=4 5186 B10R0.83 C#CCCNC(=O)C(C)SC 527a_100000755551_100000149566 [0,2,0,0,0,0|2,0,0]=4 5187 B10R0.83 C#CCCNC(=O)C(O)CC 240690a_100000755551_100011196387 [0,2,0,0,0,0|2,0,0]=4 5188 B10R0.83 C#CCCNC(=O)N(C)CC 2708a_100000755551_100000225621 [0,2,0,0,0,0|2,0,0]=4 5189 B10R0.83 C#CCCNC(=O)N(C)CC 273464a_100000755551_100000225621 [0,2,0,0,0,0|2,0,0]=4 5190 B10R0.83 C#CCCOC(C)C(C)CC 7a_100011215189_100000688953 [0,2,0,0,0,0|1,0,1]=4 5191 B10R0.83 C#CCOCC(=O)C(C)CC 1458a_100011251226_100000758301 [0,2,0,0,0,0|0,0,1]=3 5192 B10R0.83 C#CCOCC(=O)N(C)CC 11a_100000225621_100011251226 [0,2,0,0,0,0|1,0,1]=4 5193 B10R0.83 C#CCOCC(=O)N(C)CC 1626a_100000225621_100011251226 [0,2,0,0,0,0|1,0,1]=4 5194 B10R0.83 C#CCOCC(=O)N(C)CC 34a_100000210247_100000738999 [0,2,0,0,0,0|1,0,1]=4 5195 B10R0.83 C#CCOCC(=O)N(C)CC 527a_100000225621_100011251226 [0,2,0,0,0,0|1,0,1]=4 5196 B10R0.83 C/C=C(\C)/C(=O)CCOCC 1458a_100020587367_100011215890 [0,2,0,0,0,0|0,0,2]=4 5197 B10R0.83 C/C=C/C=CC(=O)C(C)CC 1458a_100000185730_100000758301 [0,2,0,0,0,0|1,0,1]=4 5198 B10R0.83 C/C=C/COC(C)C(C)CC 7a_100011215189_100102629194 [0,2,0,0,0,0|1,0,1]=4 5199 B10R0.83 C=CC(C)C(=O)CCOCC 1458a_100011216780_100011215890 [0,2,0,0,0,0|0,0,2]=4 5200 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [0,2,0,0,0,0|1,0,0]=3 5201 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [0,2,0,0,0,0|1,0,0]=3 5202 B10R0.83 C=CCCCC(=O)C(C)OC 1458a_100000743197_100000757094 [0,2,0,0,0,0|2,0,0]=4 5203 B10R0.83 C=CCCCC(=O)C(C)SC 1458a_100000149566_100000757094 [0,2,0,0,0,0|2,0,0]=4 5204 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,2,0,0,0,0|2,0,0]=4 5205 B10R0.83 C=CCCCC(=O)N(C)CC 11a_100000225621_100000766728 [0,2,0,0,0,0|2,0,0]=4 5206 B10R0.83 C=CCCCC(=O)N(C)CC 1626a_100000225621_100000766728 [0,2,0,0,0,0|2,0,0]=4 5207 B10R0.83 C=CCCCC(=O)N(C)CC 240690a_100000225621_100000766728 [0,2,0,0,0,0|2,0,0]=4 5208 B10R0.83 C=CCCCC(=O)N(C)CC 527a_100000225621_100000766728 [0,2,0,0,0,0|2,0,0]=4 5209 B10R0.83 C=CCCNC(=O)C(C)CC 11a_100015191253_100011192722 [0,2,0,0,0,0|1,0,0]=3 5210 B10R0.83 C=CCCNC(=O)C(C)CC 1626a_100015191253_100011192722 [0,2,0,0,0,0|1,0,0]=3 5211 B10R0.83 C=CCCNC(=O)C(C)CC 240690a_100015191253_100011192722 [0,2,0,0,0,0|1,0,0]=3 5212 B10R0.83 C=CCCNC(=O)C(C)CC 527a_100015191253_100011192722 [0,2,0,0,0,0|1,0,0]=3 5213 B10R0.83 C=CCCNC(=O)C(C)OC 11a_100015191253_100000743197 [0,2,0,0,0,0|2,0,0]=4 5214 B10R0.83 C=CCCNC(=O)C(C)OC 1626a_100015191253_100000743197 [0,2,0,0,0,0|2,0,0]=4 5215 B10R0.83 C=CCCNC(=O)C(C)OC 240690a_100015191253_100000743197 [0,2,0,0,0,0|2,0,0]=4 5216 B10R0.83 C=CCCNC(=O)C(C)OC 527a_100015191253_100000743197 [0,2,0,0,0,0|2,0,0]=4 5217 B10R0.83 C=CCCNC(=O)C(C)SC 11a_100015191253_100000149566 [0,2,0,0,0,0|2,0,0]=4 5218 B10R0.83 C=CCCNC(=O)C(C)SC 1626a_100015191253_100000149566 [0,2,0,0,0,0|2,0,0]=4 5219 B10R0.83 C=CCCNC(=O)C(C)SC 240690a_100015191253_100000149566 [0,2,0,0,0,0|2,0,0]=4 5220 B10R0.83 C=CCCNC(=O)C(C)SC 527a_100015191253_100000149566 [0,2,0,0,0,0|2,0,0]=4 5221 B10R0.83 C=CCCNC(=O)C(O)CC 240690a_100015191253_100011196387 [0,2,0,0,0,0|2,0,0]=4 5222 B10R0.83 C=CCCNC(=O)N(C)CC 2708a_100015191253_100000225621 [0,2,0,0,0,0|2,0,0]=4 5223 B10R0.83 C=CCCNC(=O)N(C)CC 273464a_100015191253_100000225621 [0,2,0,0,0,0|2,0,0]=4 5224 B10R0.83 C=CCCOC(C)C(C)CC 7a_100011215189_100000754431 [0,2,0,0,0,0|1,0,1]=4 5225 B10R0.83 C=CCNNC(=O)C(C)CC 22a_100020588587_100011192722 [0,2,0,0,0,0|1,0,1]=4 5226 B10R0.83 C=CCOCC(=O)N(C)CC 34a_200000210373_100000738999 [0,2,0,0,0,0|1,0,1]=4 5227 B10R0.83 C=CCSCC(=O)C(C)CC 1458a_100000230395_100000758301 [0,2,0,0,0,0|0,1,1]=4 5228 B10R0.83 C=COCCC(=O)C(C)CC 1458a_100011192722_100000039644 [0,2,0,0,0,0|0,0,2]=4 5229 B10R0.83 CC#CCNC(=O)C(C)CC 11a_100000685387_100011192722 [0,2,0,0,0,0|1,0,0]=3 5230 B10R0.83 CC#CCNC(=O)C(C)CC 1626a_100000685387_100011192722 [0,2,0,0,0,0|1,0,0]=3 5231 B10R0.83 CC#CCNC(=O)C(C)CC 527a_100000685387_100011192722 [0,2,0,0,0,0|1,0,0]=3 5232 B10R0.83 CC#CCNC(=O)C(C)OC 11a_100000685387_100000743197 [0,2,0,0,0,0|2,0,0]=4 5233 B10R0.83 CC#CCNC(=O)C(C)OC 1626a_100000685387_100000743197 [0,2,0,0,0,0|2,0,0]=4 5234 B10R0.83 CC#CCNC(=O)C(C)OC 527a_100000685387_100000743197 [0,2,0,0,0,0|2,0,0]=4 5235 B10R0.83 CC#CCNC(=O)C(C)SC 11a_100000685387_100000149566 [0,2,0,0,0,0|2,0,0]=4 5236 B10R0.83 CC#CCNC(=O)C(C)SC 1626a_100000685387_100000149566 [0,2,0,0,0,0|2,0,0]=4 5237 B10R0.83 CC#CCNC(=O)C(C)SC 527a_100000685387_100000149566 [0,2,0,0,0,0|2,0,0]=4 5238 B10R0.83 CC#CCNC(=O)N(C)CC 273464a_100000685387_100000225621 [0,2,0,0,0,0|2,0,0]=4 5239 B10R0.83 CC#CCOC(C)C(C)CC 7a_100011215189_100000748600 [0,2,0,0,0,0|1,0,1]=4 5240 B10R0.83 CC(C#N)C(=O)COCCO 1458a_100000708028_100000703298 [0,2,0,0,0,0|1,0,1]=4 5241 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [0,2,0,0,0,0|1,0,0]=3 5242 B10R0.83 CC/C=C/CC(=O)N(C)CC 11a_100000225621_100016274230 [0,2,0,0,0,0|2,0,0]=4 5243 B10R0.83 CC/C=C/CC(=O)N(C)CC 1626a_100000225621_100016274230 [0,2,0,0,0,0|2,0,0]=4 5244 B10R0.83 CC/C=C/CC(=O)N(C)CC 240690a_100000225621_100016274230 [0,2,0,0,0,0|2,0,0]=4 5245 B10R0.83 CC/C=C/CC(=O)N(C)CC 527a_100000225621_100016274230 [0,2,0,0,0,0|2,0,0]=4 5246 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [0,2,0,0,0,0|1,0,0]=3 5247 B10R0.83 CC/C=C\CC(=O)C(C)OC 1458a_100000743197_100103147603 [0,2,0,0,0,0|2,0,0]=4 5248 B10R0.83 CC/C=C\CC(=O)C(C)SC 1458a_100000149566_100103147603 [0,2,0,0,0,0|2,0,0]=4 5249 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [0,2,0,0,0,0|2,0,0]=4 5250 B10R0.83 CC=CCOC(C)C(C)CC 7a_100011215189_100000070051 [0,2,0,0,0,0|1,0,1]=4 5251 B10R0.83 CCC#CCC(=O)C(C)CC 1458a_100011192722_100009813939 [0,2,0,0,0,0|1,0,0]=3 5252 B10R0.83 CCC#CCC(=O)C(C)OC 1458a_100000743197_100009813939 [0,2,0,0,0,0|2,0,0]=4 5253 B10R0.83 CCC#CCC(=O)C(C)SC 1458a_100000149566_100009813939 [0,2,0,0,0,0|2,0,0]=4 5254 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [0,2,0,0,0,0|2,0,0]=4 5255 B10R0.83 CCC(C)C(=NNCCO)C 4a_100000210001_100000210599 [0,2,0,0,0,0|2,0,0]=4 5256 B10R0.83 CCC(C)C(=O)C=CCOC 1458a_100016285016_100000758301 [0,2,0,0,0,0|1,0,0]=3 5257 B10R0.83 CCC(C)C(=O)CC#CCO 1458a_100011192722_200000047223 [0,2,0,0,0,0|1,0,1]=4 5258 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100000075515_100000758301 [0,2,0,0,0,0|1,0,0]=3 5259 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100011192722_100000211468 [0,2,0,0,0,0|1,0,0]=3 5260 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,2,0,0,0,0|1,0,0]=3 5261 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|1,0,0]=3 5262 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|1,0,0]=3 5263 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|1,0,0]=3 5264 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|1,0,0]=3 5265 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,2,0,0,0,0|1,0,0]=3 5266 B10R0.83 CCC(C)C(=O)CCN=[N+]=[N-] 1458a_100000688302_100000758301 [0,2,0,0,0,0|2,0,0]=4 5267 B10R0.83 CCC(C)C(=O)COCCO 1458a_100000708028_100000758301 [0,2,0,0,0,0|0,0,0]=2 5268 B10R0.83 CCC(C)C(=O)CSCC#N 1458a_100000150266_100000758301 [0,2,0,0,0,0|0,1,1]=4 5269 B10R0.83 CCC(C)C(=O)NCCC#N 11a_100000720768_100011192722 [0,2,0,0,0,0|1,0,0]=3 5270 B10R0.83 CCC(C)C(=O)NCCC#N 1626a_100000720768_100011192722 [0,2,0,0,0,0|1,0,0]=3 5271 B10R0.83 CCC(C)C(=O)NCCC#N 240690a_100000720768_100011192722 [0,2,0,0,0,0|1,0,0]=3 5272 B10R0.83 CCC(C)C(=O)NCCC#N 527a_100000720768_100011192722 [0,2,0,0,0,0|1,0,0]=3 5273 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 5274 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 5275 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 5276 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [0,2,0,0,0,0|1,0,0]=3 5277 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [0,2,0,0,0,0|1,0,0]=3 5278 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [0,2,0,0,0,0|1,0,0]=3 5279 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 5280 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 5281 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [0,2,0,0,0,0|1,0,0]=3 5282 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 5283 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 5284 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 5285 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [0,2,0,0,0,0|1,0,0]=3 5286 B10R0.83 CCC(C)C(=O)NNCCO 22a_100000210001_100011192722 [0,2,0,0,0,0|1,0,0]=3 5287 B10R0.83 CCC(C)C(C)OCCC#N 7a_100011215189_100000184422 [0,2,0,0,0,0|1,0,1]=4 5288 B10R0.83 CCC(C)C(C)OCCCF 7a_100011215189_100011934791 [0,2,0,0,0,0|1,0,1]=4 5289 B10R0.83 CCC(C)C(C)OCCCO 7a_100011215189_100011215043 [0,2,0,0,0,0|1,0,1]=4 5290 B10R0.83 CCC(C)C(C)OCCOC 7a_100011215189_100000233755 [0,2,0,0,0,0|1,0,1]=4 5291 B10R0.83 CCC(C)C(C)OCCSC 7a_100011215189_100000212216 [0,2,0,0,0,0|1,0,1]=4 5292 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [0,2,0,0,0,0|2,0,0]=4 5293 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|2,0,0]=4 5294 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|2,0,0]=4 5295 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|2,0,0]=4 5296 B10R0.83 CCC(O)C(=O)NCCC#N 240690a_100000720768_100011196387 [0,2,0,0,0,0|2,0,0]=4 5297 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [0,2,0,0,0,0|2,0,0]=4 5298 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,2,0,0,0,0|2,0,0]=4 5299 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [0,2,0,0,0,0|2,0,0]=4 5300 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,2,0,0,0,0|2,0,0]=4 5301 B10R0.83 CCC(O)C(=O)NNCCO 22a_100000210001_100011196387 [0,2,0,0,0,0|2,0,0]=4 5302 B10R0.83 CCC=NNC(=O)C(C)CC 4a_100000740736_100000210100 [0,2,0,0,0,0|1,0,0]=3 5303 B10R0.83 CCC=NNC(=O)C(C)OC 4a_100000243824_100000210100 [0,2,0,0,0,0|2,0,0]=4 5304 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [0,2,0,0,0,0|1,0,0]=3 5305 B10R0.83 CCCC#CC(=O)N(C)CC 240690a_100000225621_200011218047 [0,2,0,0,0,0|2,0,0]=4 5306 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [0,2,0,0,0,0|1,0,0]=3 5307 B10R0.83 CCCC=CC(=O)N(C)CC 11a_100000225621_100000212230 [0,2,0,0,0,0|2,0,0]=4 5308 B10R0.83 CCCC=CC(=O)N(C)CC 1626a_100000225621_100000212230 [0,2,0,0,0,0|2,0,0]=4 5309 B10R0.83 CCCC=CC(=O)N(C)CC 240690a_100000225621_100000212230 [0,2,0,0,0,0|2,0,0]=4 5310 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|1,0,0]=3 5311 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|1,0,0]=3 5312 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|2,0,0]=4 5313 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|2,0,0]=4 5314 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|2,0,0]=4 5315 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5316 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5317 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5318 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5319 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 5320 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 5321 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 5322 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,2,0,0,0,0|1,0,0]=3 5323 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,2,0,0,0,0|2,0,0]=4 5324 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,2,0,0,0,0|2,0,0]=4 5325 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,2,0,0,0,0|2,0,0]=4 5326 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 5327 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 5328 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 5329 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|2,0,0]=4 5330 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|2,0,0]=4 5331 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,2,0,0,0,0|2,0,0]=4 5332 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,2,0,0,0,0|2,0,0]=4 5333 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,2,0,0,0,0|2,0,0]=4 5334 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,2,0,0,0,0|2,0,0]=4 5335 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,2,0,0,0,0|2,0,0]=4 5336 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,2,0,0,0,0|2,0,0]=4 5337 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,2,0,0,0,0|2,0,0]=4 5338 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,2,0,0,0,0|2,0,0]=4 5339 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|2,0,0]=4 5340 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,2,0,0,0,0|2,0,0]=4 5341 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,2,0,0,0,0|2,0,0]=4 5342 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [0,2,0,0,0,0|1,0,0]=3 5343 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [0,2,0,0,0,0|1,0,0]=3 5344 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [0,2,0,0,0,0|1,0,0]=3 5345 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|1,0,0]=3 5346 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|1,0,0]=3 5347 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|1,0,0]=3 5348 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|1,0,0]=3 5349 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|1,0,0]=3 5350 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [0,2,0,0,0,0|1,0,0]=3 5351 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [0,2,0,0,0,0|1,0,0]=3 5352 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [0,2,0,0,0,0|1,0,0]=3 5353 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [0,2,0,0,0,0|1,0,0]=3 5354 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,2,0,0,0,0|1,0,1]=4 5355 B10R0.83 CCCNN=C(C)C(C)CC 4a_100000740057_100000210599 [0,2,0,0,0,0|2,0,0]=4 5356 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [0,2,0,0,0,0|1,0,0]=3 5357 B10R0.83 CCCNNC(=O)C(C)OC 22a_100000740057_100000743197 [0,2,0,0,0,0|2,0,0]=4 5358 B10R0.83 CCCNNC(=O)C(C)SC 22a_100000740057_100000149566 [0,2,0,0,0,0|2,0,0]=4 5359 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [0,2,0,0,0,0|2,0,0]=4 5360 B10R0.83 CCCOCC(=O)C(C)C#N 1458a_100000745993_100000703298 [0,2,0,0,0,0|1,0,1]=4 5361 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,2,0,0,0,0|0,0,0]=2 5362 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 5363 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 5364 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 5365 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [0,2,0,0,0,0|1,0,0]=3 5366 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [0,2,0,0,0,0|1,0,0]=3 5367 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,2,0,0,0,0|0,1,0]=3 5368 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [0,2,0,0,0,0|1,1,0]=4 5369 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [0,2,0,0,0,0|1,1,0]=4 5370 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [0,2,0,0,0,0|1,1,0]=4 5371 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [0,2,0,0,0,0|1,1,0]=4 5372 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [0,2,0,0,0,0|1,1,0]=4 5373 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [0,2,0,0,0,0|1,1,0]=4 5374 B10R0.83 CCN(C)C(=O)C=CCOC 11a_100000225621_100016285016 [0,2,0,0,0,0|2,0,0]=4 5375 B10R0.83 CCN(C)C(=O)C=CCOC 1626a_100000225621_100016285016 [0,2,0,0,0,0|2,0,0]=4 5376 B10R0.83 CCN(C)C(=O)C=CCOC 240690a_100000225621_100016285016 [0,2,0,0,0,0|2,0,0]=4 5377 B10R0.83 CCN(C)C(=O)CCCC#N 11a_100000225621_100000075515 [0,2,0,0,0,0|2,0,0]=4 5378 B10R0.83 CCN(C)C(=O)CCCC#N 1626a_100000225621_100000075515 [0,2,0,0,0,0|2,0,0]=4 5379 B10R0.83 CCN(C)C(=O)CCCC#N 240690a_100000225621_100000075515 [0,2,0,0,0,0|2,0,0]=4 5380 B10R0.83 CCN(C)C(=O)CCCC#N 527a_100000225621_100000075515 [0,2,0,0,0,0|2,0,0]=4 5381 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,2,0,0,0,0|2,0,0]=4 5382 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 5383 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 5384 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 5385 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 5386 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 5387 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 5388 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 5389 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 5390 B10R0.83 CCN(C)C(=O)CNCCF 34a_100000724931_100000738999 [0,2,0,0,0,0|2,0,0]=4 5391 B10R0.83 CCN(C)C(=O)CNCCO 2230a_100016997473_100000738999 [0,2,0,0,0,0|2,0,0]=4 5392 B10R0.83 CCN(C)C(=O)CNCCO 34a_100016990907_100000738999 [0,2,0,0,0,0|2,0,0]=4 5393 B10R0.83 CCN(C)C(=O)COCCBr 34a_100000211926_100000738999 [0,2,0,0,0,0|1,0,0]=3 5394 B10R0.83 CCN(C)C(=O)COCCN 34a_100000210304_100000738999 [0,2,0,0,0,0|1,0,0]=3 5395 B10R0.83 CCN(C)C(=O)COCCO 1626a_100000225621_100000708028 [0,2,0,0,0,0|1,0,0]=3 5396 B10R0.83 CCN(C)C(=O)COCCO 240690a_100000225621_100000708028 [0,2,0,0,0,0|1,0,0]=3 5397 B10R0.83 CCN(C)C(=O)CSCCF 62a_100000738999_100011217306 [0,2,0,0,0,0|1,1,0]=4 5398 B10R0.83 CCN(C)C(=O)CSCCF 62a_100011217306_100000738999 [0,2,0,0,0,0|1,1,0]=4 5399 B10R0.83 CCN(C)C(=O)CSCCO 62a_100000211926_100000738999 [0,2,0,0,0,0|1,1,0]=4 5400 B10R0.83 CCN(C)C(=O)CSCCO 62a_100000738999_100000211926 [0,2,0,0,0,0|1,1,0]=4 5401 B10R0.83 CCN(C)C(=O)CSCOC 62a_100000738999_100000766300 [0,2,0,0,0,0|1,1,0]=4 5402 B10R0.83 CCN(C)C(=O)CSCOC 62a_100000766300_100000738999 [0,2,0,0,0,0|1,1,0]=4 5403 B10R0.83 CCN(C)C(=O)CSCSC 62a_100000738999_100011218213 [0,2,0,0,0,0|1,1,0]=4 5404 B10R0.83 CCN(C)C(=O)CSCSC 62a_100011218213_100000738999 [0,2,0,0,0,0|1,1,0]=4 5405 B10R0.83 CCN(C)C(=O)NCCC#N 2708a_100000720768_100000225621 [0,2,0,0,0,0|2,0,0]=4 5406 B10R0.83 CCN(C)C(=O)NCCC#N 273464a_100000720768_100000225621 [0,2,0,0,0,0|2,0,0]=4 5407 B10R0.83 CCN(C)C(=O)NCCCF 2708a_100015189416_100000225621 [0,2,0,0,0,0|2,0,0]=4 5408 B10R0.83 CCN(C)C(=O)NCCCF 273464a_100015189416_100000225621 [0,2,0,0,0,0|2,0,0]=4 5409 B10R0.83 CCN(C)C(=O)NCCCO 273464a_100000182051_100000225621 [0,2,0,0,0,0|2,0,0]=4 5410 B10R0.83 CCN(C)C(=O)NCCOC 273464a_100000209980_100000225621 [0,2,0,0,0,0|2,0,0]=4 5411 B10R0.83 CCN(C)C(=O)NCCSC 2708a_100020590264_100000225621 [0,2,0,0,0,0|2,0,0]=4 5412 B10R0.83 CCN(C)C(=O)NCCSC 273464a_100020590264_100000225621 [0,2,0,0,0,0|2,0,0]=4 5413 B10R0.83 CCOC=CC(=O)C(C)C#N 1458a_100016266692_100000703298 [0,2,0,0,0,0|1,0,1]=4 5414 B10R0.83 CCOC=CC(=O)C(C)CC 1458a_100016266692_100000758301 [0,2,0,0,0,0|0,0,0]=2 5415 B10R0.83 CCOC=CC(=O)N(C)CC 11a_100000225621_100016266692 [0,2,0,0,0,0|1,0,0]=3 5416 B10R0.83 CCOC=CC(=O)N(C)CC 1626a_100000225621_100016266692 [0,2,0,0,0,0|1,0,0]=3 5417 B10R0.83 CCOC=CC(=O)N(C)CC 240690a_100000225621_100016266692 [0,2,0,0,0,0|1,0,0]=3 5418 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000749530_100000703298 [0,2,0,0,0,0|1,0,1]=4 5419 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000753662_100011215890 [0,2,0,0,0,0|1,0,1]=4 5420 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,2,0,0,0,0|0,0,0]=2 5421 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,2,0,0,0,0|0,0,0]=2 5422 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,2,0,0,0,0|1,0,0]=3 5423 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [0,2,0,0,0,0|1,0,0]=3 5424 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|1,0,0]=3 5425 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|2,0,0]=4 5426 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 5427 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 5428 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 5429 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [0,2,0,0,0,0|1,0,0]=3 5430 B10R0.83 CCOCCN(C)C(C)CC 2230a_100000741768_100011215890 [0,2,0,0,0,0|2,0,0]=4 5431 B10R0.83 CCOCCN(C)C(C)CC 269982a_100000741768_100011215890 [0,2,0,0,0,0|2,0,0]=4 5432 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,2,0,0,0,0|0,1,0]=3 5433 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,2,0,0,0,0|0,1,0]=3 5434 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|1,1,0]=4 5435 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [0,2,0,0,0,0|1,1,0]=4 5436 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|1,1,0]=4 5437 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [0,2,0,0,0,0|1,1,0]=4 5438 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [0,2,0,0,0,0|1,1,0]=4 5439 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [0,2,0,0,0,0|1,1,0]=4 5440 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [0,2,0,0,0,0|1,1,0]=4 5441 B10R0.83 CNC(C)C(=O)NCCOC 2230a_106832991635_100000230274 [0,2,0,0,0,0|2,0,0]=4 5442 B10R0.83 CNC(C)C(=O)NCCOC 7a_106832991635_100000230274 [0,2,0,0,0,0|2,0,0]=4 5443 B10R0.83 COC(C)C(=O)CCCC#N 1458a_100000743197_100000211468 [0,2,0,0,0,0|2,0,0]=4 5444 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,2,0,0,0,0|2,0,0]=4 5445 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|2,0,0]=4 5446 B10R0.83 COC(C)C(=O)NCCC#N 11a_100000720768_100000743197 [0,2,0,0,0,0|2,0,0]=4 5447 B10R0.83 COC(C)C(=O)NCCC#N 1626a_100000720768_100000743197 [0,2,0,0,0,0|2,0,0]=4 5448 B10R0.83 COC(C)C(=O)NCCC#N 240690a_100000720768_100000743197 [0,2,0,0,0,0|2,0,0]=4 5449 B10R0.83 COC(C)C(=O)NCCC#N 527a_100000720768_100000743197 [0,2,0,0,0,0|2,0,0]=4 5450 B10R0.83 COC(C)C(=O)NCCCF 11a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 5451 B10R0.83 COC(C)C(=O)NCCCF 1626a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 5452 B10R0.83 COC(C)C(=O)NCCCF 240690a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 5453 B10R0.83 COC(C)C(=O)NCCCF 527a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 5454 B10R0.83 COC(C)C(=O)NCCCO 240690a_100000182051_100000743197 [0,2,0,0,0,0|2,0,0]=4 5455 B10R0.83 COC(C)C(=O)NCCCO 527a_100000182051_100000743197 [0,2,0,0,0,0|2,0,0]=4 5456 B10R0.83 COC(C)C(=O)NCCSC 11a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 5457 B10R0.83 COC(C)C(=O)NCCSC 1626a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 5458 B10R0.83 COC(C)C(=O)NCCSC 240690a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 5459 B10R0.83 COC(C)C(=O)NCCSC 527a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 5460 B10R0.83 COC(C)C(=O)NNCCO 22a_100000210001_100000743197 [0,2,0,0,0,0|2,0,0]=4 5461 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|2,0,0]=4 5462 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,2,0,0,0,0|2,0,0]=4 5463 B10R0.83 COCCNC(=O)C(C)OC 1626a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 5464 B10R0.83 COCCNC(=O)C(C)OC 240690a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 5465 B10R0.83 COCCNC(=O)C(C)OC 527a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 5466 B10R0.83 COCCNC(=O)C(C)SC 1626a_100000209980_100000149566 [0,2,0,0,0,0|2,0,0]=4 5467 B10R0.83 COCCNC(=O)C(C)SC 240690a_100000209980_100000149566 [0,2,0,0,0,0|2,0,0]=4 5468 B10R0.83 COCCNC(=O)C(C)SC 527a_100000209980_100000149566 [0,2,0,0,0,0|2,0,0]=4 5469 B10R0.83 COCCNC(=O)C(C)SC 62a_100000230274_200000210301 [0,2,0,0,0,0|2,0,0]=4 5470 B10R0.83 COCCNC(=O)C(C)SC 62a_200000210301_100000230274 [0,2,0,0,0,0|2,0,0]=4 5471 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_100000230274_200025704644 [0,2,0,0,0,0|2,0,0]=4 5472 B10R0.83 COCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230274 [0,2,0,0,0,0|2,0,0]=4 5473 B10R0.83 CSC(C)C(=O)CCCC#N 1458a_100000149566_100000211468 [0,2,0,0,0,0|2,0,0]=4 5474 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [0,2,0,0,0,0|2,0,0]=4 5475 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,2,0,0,0,0|2,0,0]=4 5476 B10R0.83 CSC(C)C(=O)NCCC#N 11a_100000720768_100000149566 [0,2,0,0,0,0|2,0,0]=4 5477 B10R0.83 CSC(C)C(=O)NCCC#N 1626a_100000720768_100000149566 [0,2,0,0,0,0|2,0,0]=4 5478 B10R0.83 CSC(C)C(=O)NCCC#N 240690a_100000720768_100000149566 [0,2,0,0,0,0|2,0,0]=4 5479 B10R0.83 CSC(C)C(=O)NCCC#N 527a_100000720768_100000149566 [0,2,0,0,0,0|2,0,0]=4 5480 B10R0.83 CSC(C)C(=O)NCCCF 11a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 5481 B10R0.83 CSC(C)C(=O)NCCCF 1626a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 5482 B10R0.83 CSC(C)C(=O)NCCCF 240690a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 5483 B10R0.83 CSC(C)C(=O)NCCCF 527a_100015189416_100000149566 [0,2,0,0,0,0|2,0,0]=4 5484 B10R0.83 CSC(C)C(=O)NCCCO 240690a_100000182051_100000149566 [0,2,0,0,0,0|2,0,0]=4 5485 B10R0.83 CSC(C)C(=O)NCCCO 527a_100000182051_100000149566 [0,2,0,0,0,0|2,0,0]=4 5486 B10R0.83 CSC(C)C(=O)NNCCO 22a_100000210001_100000149566 [0,2,0,0,0,0|2,0,0]=4 5487 B10R0.83 CSCCNC(=O)C(C)SC 11a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 5488 B10R0.83 CSCCNC(=O)C(C)SC 1626a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 5489 B10R0.83 CSCCNC(=O)C(C)SC 240690a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 5490 B10R0.83 CSCCNC(=O)C(C)SC 527a_100020590264_100000149566 [0,2,0,0,0,0|2,0,0]=4 5491 B10R0.85 CCOCN(CC)C(C)CC 269982a_100000732650_100000739092 [0,2,0,0,0,0|2,0,0]=4 5492 B10R0.124 CCC(C)S(=O)(=O)NCCF 270084a_100000724931_100000685195 [0,2,0,0,0,0|2,0,0]=4 5493 B10R0.124 CCC(C)S(=O)(=O)NCCF 274078a_100000724931_100000685195 [0,2,0,0,0,0|2,0,0]=4 5494 B10R0.124 CCC(C)S(=O)(=O)NCCO 270084a_100000210304_100000685195 [0,2,0,0,0,0|2,0,0]=4 5495 B10R0.124 CCC(C)S(=O)(=O)NCCO 274078a_100000210304_100000685195 [0,2,0,0,0,0|2,0,0]=4 5496 B10R0.124 CCCNS(=O)(=O)C(C)CC 270084a_100020643023_100000685195 [0,2,0,0,0,0|2,0,0]=4 5497 B10R0.124 CCCNS(=O)(=O)C(C)CC 274078a_100020643023_100000685195 [0,2,0,0,0,0|2,0,0]=4 5498 B10R0.20 CCOC(CC)C(CC)CC 34a_200011216187_100000210202 [0,2,0,0,0,0|1,0,1]=4 5499 B10R0.20 CCOC(CC)C(CC)CC 7a_200011216187_100000210202 [0,2,0,0,0,0|1,0,1]=4 5500 B10R0.30 CCCN(C(=O)C)C(C)CC 11a_200011216551_100015343762 [0,2,0,0,0,0|2,0,0]=4 5501 B10R0.30 CCCN(C(=O)C)C(C)CC 1626a_200011216551_100015343762 [0,2,0,0,0,0|2,0,0]=4 5502 B10R0.30 CCCN(C(=O)C)C(C)CC 240690a_200011216551_100015343762 [0,2,0,0,0,0|2,0,0]=4 5503 B10R0.30 CCCN(C(=O)C)C(C)CC 527a_200011216551_100103153847 [0,2,0,0,0,0|2,0,0]=4 5504 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [0,2,0,0,0,0|1,0,1]=4 5505 B10R0.30 CCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210202 [0,2,0,0,0,0|1,0,1]=4 5506 B10R0.33 C#CC(OCC)C(C)CCC 34a_200011216176_100000210202 [0,2,0,0,0,0|1,0,1]=4 5507 B10R0.33 C#CC(OCC)C(C)CCC 7a_200011216176_100000210202 [0,2,0,0,0,0|1,0,1]=4 5508 B10R0.33 C#CCN(CC)C(=O)CCC 11a_100000744766_100000211992 [0,2,0,0,0,0|2,0,0]=4 5509 B10R0.33 C#CCN(CC)C(=O)CCC 1626a_100000744766_100000211992 [0,2,0,0,0,0|2,0,0]=4 5510 B10R0.33 C#CCN(CC)C(=O)CCC 240690a_100000744766_100000211992 [0,2,0,0,0,0|2,0,0]=4 5511 B10R0.33 C#CCN(CC)C(=O)CCC 527a_100000744766_100000211992 [0,2,0,0,0,0|2,0,0]=4 5512 B10R0.33 C#CCN(CC)C(=O)NCC 2708a_100015525214_100000744766 [0,2,0,0,0,0|2,0,0]=4 5513 B10R0.33 C#CCN(CC)C(=O)NCC 273464a_100015525214_100000744766 [0,2,0,0,0,0|2,0,0]=4 5514 B10R0.33 CC#CC(=O)C(CC)CCC 1458a_100000763181_100011219200 [0,2,0,0,0,0|1,0,1]=4 5515 B10R0.33 CC=CC(=O)C(CC)CCC 1458a_100000210699_100011219200 [0,2,0,0,0,0|1,0,1]=4 5516 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [0,2,0,0,0,0|1,0,0]=3 5517 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [0,2,0,0,0,0|1,0,0]=3 5518 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [0,2,0,0,0,0|1,0,0]=3 5519 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [0,2,0,0,0,0|1,0,0]=3 5520 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [0,2,0,0,0,0|1,0,0]=3 5521 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [0,2,0,0,0,0|1,0,0]=3 5522 B10R0.33 CCCC(=O)N(CC)CCC 11a_100000226822_100000211992 [0,2,0,0,0,0|2,0,0]=4 5523 B10R0.33 CCCC(=O)N(CC)CCC 1626a_100000226822_100000211992 [0,2,0,0,0,0|2,0,0]=4 5524 B10R0.33 CCCC(=O)N(CC)CCC 240690a_100000226822_100000211992 [0,2,0,0,0,0|2,0,0]=4 5525 B10R0.33 CCCC(=O)N(CC)CCC 527a_100000226822_100000211992 [0,2,0,0,0,0|2,0,0]=4 5526 B10R0.33 CCCC(=O)N(CC)CCO 240690a_100000210973_100000211992 [0,2,0,0,0,0|2,0,0]=4 5527 B10R0.33 CCCC(=O)N(CC)CCO 527a_100000210973_100000211992 [0,2,0,0,0,0|2,0,0]=4 5528 B10R0.33 CCCC(C)C(CC)OCC 34a_200011218412_100000210202 [0,2,0,0,0,0|1,0,1]=4 5529 B10R0.33 CCCC(C)C(CC)OCC 7a_200011218412_100000210202 [0,2,0,0,0,0|1,0,1]=4 5530 B10R0.33 CCCC(CC)C(=O)CCF 1458a_100011416436_100011217306 [0,2,0,0,0,0|2,0,0]=4 5531 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011216618_100011219200 [0,2,0,0,0,0|2,0,0]=4 5532 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011416436_100000211926 [0,2,0,0,0,0|2,0,0]=4 5533 B10R0.33 CCCC(CC)C(=O)COC 1458a_100000210968_100011219200 [0,2,0,0,0,0|2,0,0]=4 5534 B10R0.33 CCCC(CC)C(=O)CSC 1458a_100000184570_100011219200 [0,2,0,0,0,0|2,0,0]=4 5535 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [0,2,0,0,0,0|1,0,0]=3 5536 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [0,2,0,0,0,0|1,0,0]=3 5537 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [0,2,0,0,0,0|1,0,0]=3 5538 B10R0.33 CCCC(CC)C(=O)NNC 22a_100016993582_100011416436 [0,2,0,0,0,0|2,0,0]=4 5539 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [0,2,0,0,0,0|0,0,0]=2 5540 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [0,2,0,0,0,0|0,0,0]=2 5541 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [0,2,0,0,0,0|0,0,0]=2 5542 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [0,2,0,0,0,0|0,0,0]=2 5543 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [0,2,0,0,0,0|0,0,0]=2 5544 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [0,2,0,0,0,0|0,0,0]=2 5545 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [0,2,0,0,0,0|0,0,0]=2 5546 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [0,2,0,0,0,0|0,0,0]=2 5547 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [0,2,0,0,0,0|0,0,0]=2 5548 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [0,2,0,0,0,0|0,0,0]=2 5549 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [0,2,0,0,0,0|0,0,0]=2 5550 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [0,2,0,0,0,0|0,0,0]=2 5551 B10R0.33 CCCN(CC)C(=O)NCC 2708a_100015525214_100000226822 [0,2,0,0,0,0|2,0,0]=4 5552 B10R0.33 CCCN(CC)C(=O)NCC 273464a_100015525214_100000226822 [0,2,0,0,0,0|2,0,0]=4 5553 B10R0.33 CCNC(=O)N(CC)CCO 2708a_100015525214_100000210973 [0,2,0,0,0,0|2,0,0]=4 5554 B10R0.33 CCNC(=O)N(CC)CCO 273464a_100015525214_100000210973 [0,2,0,0,0,0|2,0,0]=4 5555 B10R0.33 CCNC(CC)C(=O)OCC 2230a_100015525214_100000212269 [0,2,0,0,0,0|0,0,0]=2 5556 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [0,2,0,0,0,0|0,0,1]=3 5557 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [0,2,0,0,0,0|0,0,1]=3 5558 B10R0.33 CCOC(=O)C(C=O)SCF 62a_100000053139_100015361967 [0,2,0,0,0,0|1,0,1]=4 5559 B10R0.33 CCOC(=O)C(C=O)SCF 62a_100015361967_100000053139 [0,2,0,0,0,0|1,0,1]=4 5560 B10R0.33 CCOC(=O)C(CC)OCC 34a_100011216719_100000210202 [0,2,0,0,0,0|0,0,0]=2 5561 B10R0.33 CCOC(=O)C(CC)OCC 34a_100121572206_100000212269 [0,2,0,0,0,0|0,0,0]=2 5562 B10R0.33 CCOC(=O)C(CC)OCC 7a_100011216719_100000210202 [0,2,0,0,0,0|0,0,0]=2 5563 B10R0.33 CCOC(=O)C(CC)OCF 34a_100011216719_100015361967 [0,2,0,0,0,0|0,0,0]=2 5564 B10R0.33 CCOC(=O)C(CC)OCF 7a_100011216719_100015361967 [0,2,0,0,0,0|0,0,0]=2 5565 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000210202_100000212269 [0,2,0,0,0,0|0,0,0]=2 5566 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000212269_100000210202 [0,2,0,0,0,0|0,0,0]=2 5567 B10R0.33 CCOC(=O)C(CC)SCF 62a_100000212269_100015361967 [0,2,0,0,0,0|0,0,0]=2 5568 B10R0.33 CCOC(=O)C(CC)SCF 62a_100015361967_100000212269 [0,2,0,0,0,0|0,0,0]=2 5569 B10R0.33 CCOC(=O)C(NC)OCC 34a_100102657272_100000033883 [0,2,0,0,0,0|0,0,0]=2 5570 B10R0.33 CCOC(=O)C(OC)OCC 34a_100138415774_100000033883 [0,2,0,0,0,0|0,0,0]=2 5571 B10R0.33 CCOC(=O)C(OCC)SC 34a_100121572206_100009893047 [0,2,0,0,0,0|0,0,0]=2 5572 B10R0.33 CCOC(=O)C(OCC)SC 62a_100000033883_200000210301 [0,2,0,0,0,0|0,0,0]=2 5573 B10R0.33 CCOC(=O)C(OCC)SC 62a_200000210301_100000033883 [0,2,0,0,0,0|0,0,0]=2 5574 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_100000033883_200025704644 [0,2,0,0,0,0|0,0,0]=2 5575 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_200025704644_100000033883 [0,2,0,0,0,0|0,0,0]=2 5576 B10R0.33 CCOC(=O)C(SC)SCC 62a_100000210202_100009893047 [0,2,0,0,0,0|0,0,0]=2 5577 B10R0.33 CCOC(=O)C(SC)SCC 62a_100009893047_100000210202 [0,2,0,0,0,0|0,0,0]=2 5578 B10R0.33 CCOC(=O)C(SC)SCF 62a_100009893047_100015361967 [0,2,0,0,0,0|1,0,0]=3 5579 B10R0.33 CCOC(=O)C(SC)SCF 62a_100015361967_100009893047 [0,2,0,0,0,0|1,0,0]=3 5580 B10R0.73 CCCC(OCC)C(C)CC 34a_100011215975_100000210202 [0,2,0,0,0,0|1,0,1]=4 5581 B10R0.73 CCCC(OCC)C(C)CC 7a_100011215975_100000210202 [0,2,0,0,0,0|1,0,1]=4 5582 B10R0.73 CCCN(CC=O)C(C)CC 2230a_200011216551_200015260668 [0,2,0,0,0,0|2,0,0]=4 5583 B10R0.73 CCCN(CC=O)C(C)CC 269982a_200011216551_200015260668 [0,2,0,0,0,0|2,0,0]=4 5584 B10R0.99 CCOC(C)(CC)C(C)CC 7a_200011218298_100000210202 [0,2,0,0,0,0|1,0,1]=4 5585 B10R0.39 CCC(C)C(=O)C(C)(C)CC 1458a_100000749717_100000758301 [0,2,0,0,0,0|1,0,0]=3 5586 B10R0.39 CCC(C)C(=O)C(C)(C)CF 1458a_100000138116_100000758301 [0,2,0,0,0,0|2,0,0]=4 5587 B10R0.39 CCC(C)C(=O)C(C)(C)CO 1458a_100000749806_100000758301 [0,2,0,0,0,0|2,0,0]=4 5588 B10R0.39 CCC(C)C(=O)C(C)(C)OC 1458a_100000753492_100000758301 [0,2,0,0,0,0|2,0,0]=4 5589 B10R0.39 CCC(C)C(=O)C(C)(O)CC 1458a_100011219770_100000758301 [0,2,0,0,0,0|1,0,0]=3 5590 B10R0.39 CCC(C)C(=O)C(F)(F)CC 1458a_100000061896_100000758301 [0,2,0,0,0,0|1,0,0]=3 5591 B10R0.39 CCN(C)C(=O)C(C)(C)CC 11a_100000225621_100000749717 [0,2,0,0,0,0|1,0,0]=3 5592 B10R0.39 CCN(C)C(=O)C(C)(C)CC 1626a_100000225621_100000749717 [0,2,0,0,0,0|1,0,0]=3 5593 B10R0.39 CCN(C)C(=O)C(C)(C)CC 240690a_100000225621_100000749717 [0,2,0,0,0,0|1,0,0]=3 5594 B10R0.39 CCN(C)C(=O)C(C)(C)CC 527a_100000225621_100000749717 [0,2,0,0,0,0|1,0,0]=3 5595 B10R0.39 CCN(C)C(=O)C(C)(C)CF 11a_100000225621_100000138116 [0,2,0,0,0,0|2,0,0]=4 5596 B10R0.39 CCN(C)C(=O)C(C)(C)CF 1626a_100000225621_100000138116 [0,2,0,0,0,0|2,0,0]=4 5597 B10R0.39 CCN(C)C(=O)C(C)(C)CF 240690a_100000225621_100000138116 [0,2,0,0,0,0|2,0,0]=4 5598 B10R0.39 CCN(C)C(=O)C(C)(C)CF 527a_100000225621_100000138116 [0,2,0,0,0,0|2,0,0]=4 5599 B10R0.39 CCN(C)C(=O)C(C)(C)CO 1626a_100000225621_100000749806 [0,2,0,0,0,0|2,0,0]=4 5600 B10R0.39 CCN(C)C(=O)C(C)(C)CO 240690a_100000225621_100000749806 [0,2,0,0,0,0|2,0,0]=4 5601 B10R0.39 CCN(C)C(=O)C(C)(C)CO 527a_100000225621_100000749806 [0,2,0,0,0,0|2,0,0]=4 5602 B10R0.39 CCN(C)C(=O)C(C)(C)OC 11a_100000225621_100000753492 [0,2,0,0,0,0|2,0,0]=4 5603 B10R0.39 CCN(C)C(=O)C(C)(C)OC 1626a_100000225621_100000753492 [0,2,0,0,0,0|2,0,0]=4 5604 B10R0.39 CCN(C)C(=O)C(C)(C)OC 240690a_100000225621_100000753492 [0,2,0,0,0,0|2,0,0]=4 5605 B10R0.39 CCN(C)C(=O)C(C)(C)OC 527a_100000225621_100000753492 [0,2,0,0,0,0|2,0,0]=4 5606 B10R0.39 CCN(C)C(=O)C(C)(O)CC 240690a_100000225621_100011219770 [0,2,0,0,0,0|1,0,0]=3 5607 B10R0.39 CCN(C)C(=O)C(F)(F)CC 11a_100000225621_100000061896 [0,2,0,0,0,0|2,0,0]=4 5608 B10R0.39 CCN(C)C(=O)C(F)(F)CC 1626a_100000225621_100000061896 [0,2,0,0,0,0|2,0,0]=4 5609 B10R0.39 CCN(C)C(=O)C(F)(F)CC 240690a_100000225621_100000061896 [0,2,0,0,0,0|2,0,0]=4 5610 B10R0.39 CCN(C)C(=O)C(F)(F)CC 527a_100000225621_100000061896 [0,2,0,0,0,0|2,0,0]=4 5611 B10R0.63 C=C(C)CC(=O)C(C)(C)CC 1458a_100000749717_100000748629 [0,2,0,0,0,0|1,0,1]=4 5612 B10R0.63 C=C(C)CC(=O)C(C)(O)CC 1458a_100011219770_100000748629 [0,2,0,0,0,0|1,0,1]=4 5613 B10R0.63 CC(C)CC(=O)C(C)(C)CF 1458a_100000138116_100000210624 [0,2,0,0,0,0|2,0,0]=4 5614 B10R0.63 CC(C)CC(=O)C(C)(C)CO 1458a_100000749806_100000210624 [0,2,0,0,0,0|2,0,0]=4 5615 B10R0.63 CC(C)NC(=O)C(C)(C)CF 11a_100138425928_100000138116 [0,2,0,0,0,0|2,0,0]=4 5616 B10R0.63 CC(C)NC(=O)C(C)(C)CF 1626a_100138425928_100000138116 [0,2,0,0,0,0|2,0,0]=4 5617 B10R0.63 CC(C)NC(=O)C(C)(C)CF 240690a_100138425928_100000138116 [0,2,0,0,0,0|2,0,0]=4 5618 B10R0.63 CC(C)NC(=O)C(C)(C)CF 527a_100138425928_100000138116 [0,2,0,0,0,0|2,0,0]=4 5619 B10R0.63 CC(C)NC(=O)C(C)(C)CO 1626a_100138425928_100000749806 [0,2,0,0,0,0|2,0,0]=4 5620 B10R0.63 CC(C)NC(=O)C(C)(C)CO 240690a_100138425928_100000749806 [0,2,0,0,0,0|2,0,0]=4 5621 B10R0.63 CC(C)NC(=O)C(C)(C)CO 527a_100138425928_100000749806 [0,2,0,0,0,0|2,0,0]=4 5622 B10R0.63 CC(C)OC(=O)C(C)(C)S[13CH3] 62a_100009814322_200025704644 [0,2,0,0,0,0|1,0,0]=3 5623 B10R0.63 CC(C)OC(=O)C(C)(C)S[13CH3] 62a_200025704644_100009814322 [0,2,0,0,0,0|1,0,0]=3 5624 B10R0.63 CC(O)CC(=O)C(C)(C)CF 1458a_100000138116_100011218427 [0,2,0,0,0,0|2,0,0]=4 5625 B10R0.63 CC(O)CC(=O)C(C)(C)CO 1458a_100000749806_100011218427 [0,2,0,0,0,0|2,0,0]=4 5626 B10R0.63 CCC(C)(C)C(=O)CC(C)C 1458a_100000749717_100000210624 [0,2,0,0,0,0|1,0,0]=3 5627 B10R0.63 CCC(C)(C)C(=O)CC(C)O 1458a_100000749717_100011218427 [0,2,0,0,0,0|1,0,0]=3 5628 B10R0.63 CCC(C)(C)C(=O)CC(F)F 1458a_100000749717_100011934356 [0,2,0,0,0,0|2,0,0]=4 5629 B10R0.63 CCC(C)(C)C(=O)NC(C)C 11a_100138425928_100000749717 [0,2,0,0,0,0|1,0,0]=3 5630 B10R0.63 CCC(C)(C)C(=O)NC(C)C 1626a_100138425928_100000749717 [0,2,0,0,0,0|1,0,0]=3 5631 B10R0.63 CCC(C)(C)C(=O)NC(C)C 240690a_100138425928_100000749717 [0,2,0,0,0,0|1,0,0]=3 5632 B10R0.63 CCC(C)(C)C(=O)NC(C)C 527a_100138425928_100000749717 [0,2,0,0,0,0|1,0,0]=3 5633 B10R0.63 CCC(C)(O)C(=O)CC(C)C 1458a_100011219770_100000210624 [0,2,0,0,0,0|1,0,0]=3 5634 B10R0.63 CCC(C)(O)C(=O)CC(C)O 1458a_100011219770_100011218427 [0,2,0,0,0,0|1,0,0]=3 5635 B10R0.63 CCC(C)(O)C(=O)CC(F)F 1458a_100011219770_100011934356 [0,2,0,0,0,0|2,0,0]=4 5636 B10R0.63 CCC(C)(O)C(=O)NC(C)C 240690a_100138425928_100011219770 [0,2,0,0,0,0|1,0,0]=3 5637 B10R0.63 CCC(F)(F)C(=O)CC(C)C 1458a_100000061896_100000210624 [0,2,0,0,0,0|2,0,0]=4 5638 B10R0.63 CCC(F)(F)C(=O)CC(C)O 1458a_100000061896_100011218427 [0,2,0,0,0,0|2,0,0]=4 5639 B10R0.63 CCC(F)(F)C(=O)NC(C)C 11a_100138425928_100000061896 [0,2,0,0,0,0|2,0,0]=4 5640 B10R0.63 CCC(F)(F)C(=O)NC(C)C 1626a_100138425928_100000061896 [0,2,0,0,0,0|2,0,0]=4 5641 B10R0.63 CCC(F)(F)C(=O)NC(C)C 240690a_100138425928_100000061896 [0,2,0,0,0,0|2,0,0]=4 5642 B10R0.63 CCC(F)(F)C(=O)NC(C)C 527a_100138425928_100000061896 [0,2,0,0,0,0|2,0,0]=4 5643 B10R0.63 CNC(C)(C)C(=O)OC(C)C 2230a_106832991635_100009814322 [0,2,0,0,0,0|1,0,0]=3 5644 B10R0.63 CNC(C)(C)C(=O)OC(C)C 7a_106832991635_100009814322 [0,2,0,0,0,0|1,0,0]=3 5645 B10R0.63 COC(C)(C)C(=O)CC(C)C 1458a_100000753492_100000210624 [0,2,0,0,0,0|2,0,0]=4 5646 B10R0.63 COC(C)(C)C(=O)CC(C)O 1458a_100000753492_100011218427 [0,2,0,0,0,0|2,0,0]=4 5647 B10R0.63 COC(C)(C)C(=O)NC(C)C 11a_100138425928_100000753492 [0,2,0,0,0,0|2,0,0]=4 5648 B10R0.63 COC(C)(C)C(=O)NC(C)C 1626a_100138425928_100000753492 [0,2,0,0,0,0|2,0,0]=4 5649 B10R0.63 COC(C)(C)C(=O)NC(C)C 240690a_100138425928_100000753492 [0,2,0,0,0,0|2,0,0]=4 5650 B10R0.63 COC(C)(C)C(=O)NC(C)C 527a_100138425928_100000753492 [0,2,0,0,0,0|2,0,0]=4 5651 B10R0.63 CSC(C)(C)C(=O)OC(C)C 62a_100009814322_200000210301 [0,2,0,0,0,0|1,0,0]=3 5652 B10R0.63 CSC(C)(C)C(=O)OC(C)C 62a_200000210301_100009814322 [0,2,0,0,0,0|1,0,0]=3 5653 B10R0.129 C=CCC(C)(C)C(=O)CCC 1458a_100000705796_100000210303 [0,2,0,0,0,0|1,0,1]=4 5654 B10R0.129 C=CCC(C)(C)C(=O)NCC 11a_100015525214_100000705796 [0,2,0,0,0,0|1,0,1]=4 5655 B10R0.129 C=CCC(C)(C)C(=O)NCC 240690a_100015525214_100000705796 [0,2,0,0,0,0|1,0,1]=4 5656 B10R0.129 C=CCC(C)(C)C(=O)NCC 527a_100015525214_100000705796 [0,2,0,0,0,0|1,0,1]=4 5657 B10R0.129 CCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210303 [0,2,0,0,0,0|1,0,0]=3 5658 B10R0.129 CCCC(=O)C(C)(C)OCC 1458a_100011458965_100000210303 [0,2,0,0,0,0|1,0,0]=3 5659 B10R0.129 CCCC(C)(C)C(=O)CCF 1458a_100011215034_100011217306 [0,2,0,0,0,0|2,0,0]=4 5660 B10R0.129 CCCC(C)(C)C(=O)CCO 1458a_100011215034_100000211926 [0,2,0,0,0,0|2,0,0]=4 5661 B10R0.129 CCCC(C)(C)C(=O)NCC 11a_100015525214_100011215034 [0,2,0,0,0,0|1,0,0]=3 5662 B10R0.129 CCCC(C)(C)C(=O)NCC 240690a_100015525214_100011215034 [0,2,0,0,0,0|1,0,0]=3 5663 B10R0.129 CCCC(C)(C)C(=O)NCC 527a_100015525214_100011215034 [0,2,0,0,0,0|1,0,0]=3 5664 B10R0.129 CCCC(C)(C)C(=O)NNC 22a_100016993582_100011215034 [0,2,0,0,0,0|2,0,0]=4 5665 B10R0.129 CCCC(C)C(C)(C)OCC 7a_200011218223_100000210202 [0,2,0,0,0,0|1,0,1]=4 5666 B10R0.129 CCCC(C)S(=O)(=O)NCC 270084a_100015525214_100000718301 [0,2,0,0,0,0|2,0,0]=4 5667 B10R0.129 CCCC(C)S(=O)(=O)NCC 274078a_100015525214_100000718301 [0,2,0,0,0,0|2,0,0]=4 5668 B10R0.129 CCNC(=O)C(C)(C)CSC 62a_100011895991_200000210301 [0,2,0,0,0,0|1,0,0]=3 5669 B10R0.129 CCNC(=O)C(C)(C)CSC 62a_200000210301_100011895991 [0,2,0,0,0,0|1,0,0]=3 5670 B10R0.129 CCNC(=O)C(C)(C)CS[13CH3] 62a_100011895991_200025704644 [0,2,0,0,0,0|1,0,0]=3 5671 B10R0.129 CCNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011895991 [0,2,0,0,0,0|1,0,0]=3 5672 B10R0.129 CCNC(=O)C(C)(C)OCC 11a_100015525214_100011458965 [0,2,0,0,0,0|1,0,0]=3 5673 B10R0.129 CCNC(=O)C(C)(C)OCC 240690a_100015525214_100011458965 [0,2,0,0,0,0|1,0,0]=3 5674 B10R0.129 CCNC(=O)C(C)(C)OCC 527a_100015525214_100011458965 [0,2,0,0,0,0|1,0,0]=3 5675 B10R0.129 CCNC(C)(C)C(=O)OCC 2230a_100015525214_100011216345 [0,2,0,0,0,0|0,0,0]=2 5676 B10R0.129 CCOC(=O)C(C)(C)CNC 2230a_106832991635_100011219049 [0,2,0,0,0,0|0,0,0]=2 5677 B10R0.129 CCOC(=O)C(C)(C)COC 7a_100011765865_200000210301 [0,2,0,0,0,0|0,0,0]=2 5678 B10R0.129 CCOC(=O)C(C)(C)CO[13CH3] 7a_100011765865_200025704644 [0,2,0,0,0,0|0,0,0]=2 5679 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_100011219049_200000210301 [0,2,0,0,0,0|0,0,0]=2 5680 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_200000210301_100011219049 [0,2,0,0,0,0|0,0,0]=2 5681 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_100011219049_200025704644 [0,2,0,0,0,0|0,0,0]=2 5682 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011219049 [0,2,0,0,0,0|0,0,0]=2 5683 B10R0.129 CCOC(=O)C(C)(C)OCC 34a_100000686869_100000210202 [0,2,0,0,0,0|0,0,0]=2 5684 B10R0.129 CCOC(=O)C(C)(C)OCC 7a_100000686869_100000210202 [0,2,0,0,0,0|0,0,0]=2 5685 B10R0.129 CCOC(=O)C(C)(C)OCF 34a_100000686869_100015361967 [0,2,0,0,0,0|1,0,0]=3 5686 B10R0.129 CCOC(=O)C(C)(C)OCF 7a_100000686869_100015361967 [0,2,0,0,0,0|1,0,0]=3 5687 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100000210202_100011216345 [0,2,0,0,0,0|0,0,0]=2 5688 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100011216345_100000210202 [0,2,0,0,0,0|0,0,0]=2 5689 B10R0.129 CCOC(=O)C(C)(C)SCF 62a_100011216345_100015361967 [0,2,0,0,0,0|1,0,0]=3 5690 B10R0.129 CCOC(=O)C(C)(C)SCF 62a_100015361967_100011216345 [0,2,0,0,0,0|1,0,0]=3 5691 B10R0.129 CCOC(=O)C(F)(F)CNC 34a_100102657272_100009817193 [0,2,0,0,0,0|1,0,0]=3 5692 B10R0.129 CCOC(=O)C(F)(F)COC 34a_100138415774_100009817193 [0,2,0,0,0,0|1,0,0]=3 5693 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_100009817193_200000210301 [0,2,0,0,0,0|1,0,0]=3 5694 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_200000210301_100009817193 [0,2,0,0,0,0|1,0,0]=3 5695 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_100009817193_200025704644 [0,2,0,0,0,0|1,0,0]=3 5696 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100009817193 [0,2,0,0,0,0|1,0,0]=3 5697 B10R0.129 CCOC(=O)C(F)(F)OCC 34a_100121572206_100000210910 [0,2,0,0,0,0|1,0,0]=3 5698 B10R0.129 CCOC(=O)C(F)(F)SCC 62a_100000210202_100000210910 [0,2,0,0,0,0|1,0,0]=3 5699 B10R0.129 CCOC(=O)C(F)(F)SCC 62a_100000210910_100000210202 [0,2,0,0,0,0|1,0,0]=3 5700 B10R0.129 CCOC(=O)C(F)(F)SCF 62a_100000210910_100015361967 [0,2,0,0,0,0|2,0,0]=4 5701 B10R0.129 CCOC(=O)C(F)(F)SCF 62a_100015361967_100000210910 [0,2,0,0,0,0|2,0,0]=4 5702 B10R0.129 CCOC(C)(C)C(=O)CCF 1458a_100011458965_100011217306 [0,2,0,0,0,0|2,0,0]=4 5703 B10R0.129 CCOC(C)(C)C(=O)CCO 1458a_100011458965_100000211926 [0,2,0,0,0,0|2,0,0]=4 5704 B10R0.129 CCOC(C)(C)C(=O)NNC 22a_100016993582_100011458965 [0,2,0,0,0,0|2,0,0]=4 5705 B10R0.130 CC#CC(=O)C(C)(CC)CC 1458a_100000763181_100009817345 [0,2,0,0,0,0|1,0,1]=4 5706 B10R0.130 CC=CC(=O)C(C)(CC)CC 1458a_100000210699_100009817345 [0,2,0,0,0,0|1,0,1]=4 5707 B10R0.130 CCC(C)(CC)C(=O)CCF 1458a_100000760562_100011217306 [0,2,0,0,0,0|2,0,0]=4 5708 B10R0.130 CCC(C)(CC)C(=O)CCO 1458a_100000760562_100000211926 [0,2,0,0,0,0|2,0,0]=4 5709 B10R0.130 CCC(C)(CC)C(=O)CCO 1458a_100011216618_100009817345 [0,2,0,0,0,0|2,0,0]=4 5710 B10R0.130 CCC(C)(CC)C(=O)COC 1458a_100000210968_100009817345 [0,2,0,0,0,0|2,0,0]=4 5711 B10R0.130 CCC(C)(CC)C(=O)CSC 1458a_100000184570_100009817345 [0,2,0,0,0,0|2,0,0]=4 5712 B10R0.130 CCC(C)(CC)C(=O)NNC 22a_100016993582_100000760562 [0,2,0,0,0,0|2,0,0]=4 5713 B10R0.130 CCCC(=O)C(C)(CC)CC 1458a_100000211992_100009817345 [0,2,0,0,0,0|1,0,0]=3 5714 B10R0.130 CCCC(=O)C(C)(CC)CC 1458a_100000760562_100000210303 [0,2,0,0,0,0|1,0,0]=3 5715 B10R0.130 CCCC(=O)C(C)(CO)CO 1458a_100000693232_100000210303 [0,2,0,0,0,0|2,0,0]=4 5716 B10R0.130 CCNC(=O)C(C)(CC)CC 11a_100015525214_100000760562 [0,2,0,0,0,0|1,0,0]=3 5717 B10R0.130 CCNC(=O)C(C)(CC)CC 240690a_100015525214_100000760562 [0,2,0,0,0,0|1,0,0]=3 5718 B10R0.130 CCNC(=O)C(C)(CC)CC 527a_100015525214_100000760562 [0,2,0,0,0,0|1,0,0]=3 5719 B10R0.130 CCNC(=O)C(C)(CO)CO 240690a_100015525214_100000693232 [0,2,0,0,0,0|2,0,0]=4 5720 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [0,2,0,0,0,0|1,0,1]=4 5721 B10R0.32 C=C(C)CC(=O)C(C)COC 1458a_100000751857_100000748629 [0,2,0,0,0,0|1,0,1]=4 5722 B10R0.32 C=C(C)CC(=O)C(C)CSC 1458a_100000753918_100000748629 [0,2,0,0,0,0|1,0,1]=4 5723 B10R0.32 C=C(C)CC(=O)C(C)OCC 1458a_100000739345_100000748629 [0,2,0,0,0,0|1,0,1]=4 5724 B10R0.32 C=C(C)CC(=O)C(C)SCC 1458a_100000230601_100000748629 [0,2,0,0,0,0|1,0,1]=4 5725 B10R0.32 C=C(C)CN(C)C(=O)CCC 11a_100000225649_100000211992 [0,2,0,0,0,0|2,0,0]=4 5726 B10R0.32 C=C(C)CN(C)C(=O)CCC 1626a_100000225649_100000211992 [0,2,0,0,0,0|2,0,0]=4 5727 B10R0.32 C=C(C)CN(C)C(=O)CCC 527a_100000225649_100000211992 [0,2,0,0,0,0|2,0,0]=4 5728 B10R0.32 C=C(C)CN(C)C(=O)NCC 2708a_100015525214_100000225649 [0,2,0,0,0,0|2,0,0]=4 5729 B10R0.32 C=C(C)CN(C)C(=O)NCC 273464a_100015525214_100000225649 [0,2,0,0,0,0|2,0,0]=4 5730 B10R0.32 C=C(CC(C)C)C(C)NCC 269862a_100015525214_100009860644 [0,2,0,0,0,0|2,0,0]=4 5731 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,2,0,0,0,0|0,0,2]=4 5732 B10R0.32 C=CCC(C)C(=O)CC(C)C 1458a_100011216819_100000210624 [0,2,0,0,0,0|1,0,1]=4 5733 B10R0.32 C=CCC(C)C(=O)CC(C)O 1458a_100011216819_100011218427 [0,2,0,0,0,0|1,0,1]=4 5734 B10R0.32 C=CCC(C)C(=O)NC(C)C 11a_100138425928_100011216819 [0,2,0,0,0,0|1,0,1]=4 5735 B10R0.32 C=CCC(C)C(=O)NC(C)C 1626a_100138425928_100011216819 [0,2,0,0,0,0|1,0,1]=4 5736 B10R0.32 C=CCC(C)C(=O)NC(C)C 240690a_100138425928_100011216819 [0,2,0,0,0,0|1,0,1]=4 5737 B10R0.32 C=CCC(C)C(=O)NC(C)C 527a_100138425928_100011216819 [0,2,0,0,0,0|1,0,1]=4 5738 B10R0.32 CC#CC(=O)C(C)CC(C)C 1458a_100000763181_100000731052 [0,2,0,0,0,0|1,0,1]=4 5739 B10R0.32 CC(=CC(=O)C(C)CCO)C 1458a_100000211388_100009893172 [0,2,0,0,0,0|1,0,1]=4 5740 B10R0.32 CC(=CC(=O)C(C)CCO)Cl 1458a_200042562850_100009893172 [0,2,0,0,0,0|1,0,1]=4 5741 B10R0.32 CC(=CC(=O)C(C)CCO)I 1458a_100025716642_100009893172 [0,2,0,0,0,0|1,0,1]=4 5742 B10R0.32 CC(C)CC(=O)C(C)CC#N 1458a_100000210554_100009813641 [0,2,0,0,0,0|1,0,1]=4 5743 B10R0.32 CC(C)CC(=O)C(C)CCO 1458a_100000210554_100009893172 [0,2,0,0,0,0|1,0,0]=3 5744 B10R0.32 CC(C)CC(=O)N(C)CCO 240690a_100000210263_100000210554 [0,2,0,0,0,0|2,0,0]=4 5745 B10R0.32 CC(C)CC(=O)N(C)CCO 527a_100000210263_100000210554 [0,2,0,0,0,0|2,0,0]=4 5746 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,2,0,0,0,0|2,0,0]=4 5747 B10R0.32 CC(C)NC(=O)C(C)NCF 34a_100015205314_100015361967 [0,2,0,0,0,0|2,0,0]=4 5748 B10R0.32 CC(C)NC(=O)C(C)SCF 62a_100000195394_100015361967 [0,2,0,0,0,0|2,0,0]=4 5749 B10R0.32 CC(C)NC(=O)C(C)SCF 62a_100015361967_100000195394 [0,2,0,0,0,0|2,0,0]=4 5750 B10R0.32 CC(C)NC(=O)N(C)CCO 2708a_100138425928_100000210263 [0,2,0,0,0,0|2,0,0]=4 5751 B10R0.32 CC(C)NC(=O)N(C)CCO 273464a_100138425928_100000210263 [0,2,0,0,0,0|2,0,0]=4 5752 B10R0.32 CC(C)OC(=O)[C@@H](C)OCF 34a_100015307928_100015361967 [0,2,0,0,0,0|1,0,0]=3 5753 B10R0.32 CC(C)OC(=O)[C@@H](C)OCF 7a_100015307928_100015361967 [0,2,0,0,0,0|1,0,0]=3 5754 B10R0.32 CC(C)OC(=O)[C@@H](N)CO[13CH3] 34a_100121572844_200025704644 [0,2,0,0,0,0|1,0,0]=3 5755 B10R0.32 CC(CC#N)C(=O)C[C@@H](C)O 1458a_100011933948_100009813641 [0,2,0,0,0,0|1,0,1]=4 5756 B10R0.32 CC(CCO)C(=O)CN(C)C 1458a_100000750896_100009893172 [0,2,0,0,0,0|2,0,0]=4 5757 B10R0.32 CC(CCO)C(=O)C[C@@H](C)O 1458a_100011933948_100009893172 [0,2,0,0,0,0|1,0,0]=3 5758 B10R0.32 CC(CCO)C(=O)C[S+](C)C 1458a_200159257847_100009893172 [0,2,0,0,0,0|2,0,0]=4 5759 B10R0.32 CC(CN(C)C)C(=O)CCF 1458a_200015186601_100011217306 [0,2,0,0,0,0|2,0,0]=4 5760 B10R0.32 CC(CN(C)C)C(=O)CCO 1458a_200015186601_100000211926 [0,2,0,0,0,0|2,0,0]=4 5761 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [0,2,0,0,0,0|1,0,1]=4 5762 B10R0.32 CC/C=C(\C)/C(=O)CC(C)O 1458a_100016988807_100011218427 [0,2,0,0,0,0|1,0,1]=4 5763 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 11a_100138425928_100016988807 [0,2,0,0,0,0|1,0,1]=4 5764 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_100016988807 [0,2,0,0,0,0|1,0,1]=4 5765 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 240690a_100138425928_100016988807 [0,2,0,0,0,0|1,0,1]=4 5766 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 527a_100138425928_100016988807 [0,2,0,0,0,0|1,0,1]=4 5767 B10R0.32 CC=CC(=O)C(C)CC(C)C 1458a_100000210699_100000731052 [0,2,0,0,0,0|1,0,1]=4 5768 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,2,0,0,0,0|1,0,0]=3 5769 B10R0.32 CCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210303 [0,2,0,0,0,0|1,0,0]=3 5770 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,2,0,0,0,0|1,0,1]=4 5771 B10R0.32 CCCC(=O)N(C)CC(C)C 11a_100000747067_100000211992 [0,2,0,0,0,0|2,0,0]=4 5772 B10R0.32 CCCC(=O)N(C)CC(C)C 1626a_100000747067_100000211992 [0,2,0,0,0,0|2,0,0]=4 5773 B10R0.32 CCCC(=O)N(C)CC(C)C 240690a_100000747067_100000211992 [0,2,0,0,0,0|2,0,0]=4 5774 B10R0.32 CCCC(=O)N(C)CC(C)C 527a_100000747067_100000211992 [0,2,0,0,0,0|2,0,0]=4 5775 B10R0.32 CCCC(=O)N(C)CC(C)O 240690a_100000227577_100000211992 [0,2,0,0,0,0|2,0,0]=4 5776 B10R0.32 CCCC(=O)N(C)CC(C)O 527a_100000227577_100000211992 [0,2,0,0,0,0|2,0,0]=4 5777 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,2,0,0,0,0|1,0,1]=4 5778 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,2,0,0,0,0|2,0,0]=4 5779 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,2,0,0,0,0|1,0,1]=4 5780 B10R0.32 CCCC(C)C(=O)C=C(C)C 1458a_100000211388_100000766640 [0,2,0,0,0,0|1,0,1]=4 5781 B10R0.32 CCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000766640 [0,2,0,0,0,0|1,0,1]=4 5782 B10R0.32 CCCC(C)C(=O)C=C(C)I 1458a_100025716642_100000766640 [0,2,0,0,0,0|1,0,1]=4 5783 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,2,0,0,0,0|1,0,0]=3 5784 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,2,0,0,0,0|1,0,0]=3 5785 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,2,0,0,0,0|1,0,0]=3 5786 B10R0.32 CCCC(C)C(=O)CC(F)F 1458a_100000210906_100011934356 [0,2,0,0,0,0|2,0,0]=4 5787 B10R0.32 CCCC(C)C(=O)CN(C)C 1458a_100000750896_100000766640 [0,2,0,0,0,0|2,0,0]=4 5788 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,2,0,0,0,0|1,0,0]=3 5789 B10R0.32 CCCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000766640 [0,2,0,0,0,0|2,0,0]=4 5790 B10R0.32 CCCC(C)C(=O)NC(C)C 11a_100138425928_100000210906 [0,2,0,0,0,0|1,0,0]=3 5791 B10R0.32 CCCC(C)C(=O)NC(C)C 1626a_100138425928_100000210906 [0,2,0,0,0,0|1,0,0]=3 5792 B10R0.32 CCCC(C)C(=O)NC(C)C 240690a_100138425928_100000210906 [0,2,0,0,0,0|1,0,0]=3 5793 B10R0.32 CCCC(C)C(=O)NC(C)C 527a_100138425928_100000210906 [0,2,0,0,0,0|1,0,0]=3 5794 B10R0.32 CCCC(C)C(C)OC(C)C 34a_100000708338_100000210206 [0,2,0,0,0,0|1,0,1]=4 5795 B10R0.32 CCCC(C)C(C)OC(C)C 7a_100000708338_100000210206 [0,2,0,0,0,0|1,0,1]=4 5796 B10R0.32 CCCN(C)C(=O)CC(C)C 11a_100000747261_100000210554 [0,2,0,0,0,0|2,0,0]=4 5797 B10R0.32 CCCN(C)C(=O)CC(C)C 1626a_100000747261_100000210554 [0,2,0,0,0,0|2,0,0]=4 5798 B10R0.32 CCCN(C)C(=O)CC(C)C 240690a_100000747261_100000210554 [0,2,0,0,0,0|2,0,0]=4 5799 B10R0.32 CCCN(C)C(=O)CC(C)C 527a_100000747261_100000210554 [0,2,0,0,0,0|2,0,0]=4 5800 B10R0.32 CCCN(C)C(=O)C[C@@H](C)O 240690a_100000747261_100011933948 [0,2,0,0,0,0|2,0,0]=4 5801 B10R0.32 CCCN(C)C(=O)NC(C)C 2708a_100138425928_100000747261 [0,2,0,0,0,0|2,0,0]=4 5802 B10R0.32 CCCN(C)C(=O)NC(C)C 273464a_100138425928_100000747261 [0,2,0,0,0,0|2,0,0]=4 5803 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,2,0,0,0,0|2,0,0]=4 5804 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,2,0,0,0,0|2,0,0]=4 5805 B10R0.32 CCC[C@H](O)C(=O)NC(C)C 240690a_100138425928_100009822183 [0,2,0,0,0,0|2,0,0]=4 5806 B10R0.32 CCNC(=O)C(C)CN(C)C 240690a_100015525214_200015186601 [0,2,0,0,0,0|1,0,0]=3 5807 B10R0.32 CCNC(=O)C(C)NC(=O)C 11a_100000736553_100015343762 [0,2,0,0,0,0|1,0,1]=4 5808 B10R0.32 CCNC(=O)C(C)NC(=O)C 1626a_100000736553_100015343762 [0,2,0,0,0,0|1,0,1]=4 5809 B10R0.32 CCNC(=O)C(C)NC(=O)C 240690a_100000736553_100015343762 [0,2,0,0,0,0|1,0,1]=4 5810 B10R0.32 CCNC(=O)C(C)NC(=O)C 527a_100000736553_100103153847 [0,2,0,0,0,0|1,0,1]=4 5811 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100000736553_100000210206 [0,2,0,0,0,0|1,0,0]=3 5812 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230173 [0,2,0,0,0,0|1,0,0]=3 5813 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100000736553_100000210206 [0,2,0,0,0,0|1,0,0]=3 5814 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100138425928_100000230173 [0,2,0,0,0,0|1,0,0]=3 5815 B10R0.32 CCNC(=O)C(C)OC(C)C 34a_100000212225_100000230173 [0,2,0,0,0,0|1,0,0]=3 5816 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000210206_100000230173 [0,2,0,0,0,0|1,0,0]=3 5817 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000230173_100000210206 [0,2,0,0,0,0|1,0,0]=3 5818 B10R0.32 CCNC(=O)N(C)CC(C)C 2708a_100015525214_100000747067 [0,2,0,0,0,0|2,0,0]=4 5819 B10R0.32 CCNC(=O)N(C)CC(C)C 273464a_100015525214_100000747067 [0,2,0,0,0,0|2,0,0]=4 5820 B10R0.32 CCNC(=O)N(C)CC(C)O 2708a_100015525214_100000227577 [0,2,0,0,0,0|2,0,0]=4 5821 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 11a_100015525214_100011504603 [0,2,0,0,0,0|1,0,1]=4 5822 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 240690a_100015525214_100011504603 [0,2,0,0,0,0|1,0,1]=4 5823 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 527a_100015525214_100011504603 [0,2,0,0,0,0|1,0,1]=4 5824 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,2,0,0,0,0|2,0,0]=4 5825 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 11a_100015525214_100009816467 [0,2,0,0,0,0|1,0,1]=4 5826 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 240690a_100015525214_100009816467 [0,2,0,0,0,0|1,0,1]=4 5827 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 527a_100015525214_100009816467 [0,2,0,0,0,0|1,0,1]=4 5828 B10R0.32 CCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210202 [0,2,0,0,0,0|1,0,0]=3 5829 B10R0.32 CCNC(C)C(=O)NC(C)C 2230a_100015525214_100000195394 [0,2,0,0,0,0|1,0,0]=3 5830 B10R0.32 CCNC(C)C(=O)NC(C)C 34a_100015205314_100000210202 [0,2,0,0,0,0|1,0,0]=3 5831 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,2,0,0,0,0|1,0,1]=4 5832 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,2,0,0,0,0|1,0,1]=4 5833 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,2,0,0,0,0|1,0,1]=4 5834 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,2,0,0,0,0|1,0,1]=4 5835 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,2,0,0,0,0|0,0,0]=2 5836 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,2,0,0,0,0|0,0,0]=2 5837 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,2,0,0,0,0|0,0,0]=2 5838 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,2,0,0,0,0|0,0,0]=2 5839 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,2,0,0,0,0|0,0,0]=2 5840 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,2,0,0,0,0|1,0,0]=3 5841 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,2,0,0,0,0|1,0,0]=3 5842 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,2,0,0,0,0|1,0,0]=3 5843 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,2,0,0,0,0|1,0,0]=3 5844 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,2,0,0,0,0|1,0,0]=3 5845 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,2,0,0,0,0|0,0,1]=3 5846 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,2,0,0,0,0|0,0,0]=2 5847 B10R0.32 CCOC(C)C(=O)CC(C)C 1458a_100000739345_100000210624 [0,2,0,0,0,0|1,0,0]=3 5848 B10R0.32 CCOC(C)C(=O)CC(C)O 1458a_100000739345_100011218427 [0,2,0,0,0,0|1,0,0]=3 5849 B10R0.32 CCOC(C)C(=O)CC(F)F 1458a_100000739345_100011934356 [0,2,0,0,0,0|2,0,0]=4 5850 B10R0.32 CCOC(C)C(=O)NC(C)C 11a_100138425928_100000739345 [0,2,0,0,0,0|1,0,0]=3 5851 B10R0.32 CCOC(C)C(=O)NC(C)C 1626a_100138425928_100000739345 [0,2,0,0,0,0|1,0,0]=3 5852 B10R0.32 CCOC(C)C(=O)NC(C)C 240690a_100138425928_100000739345 [0,2,0,0,0,0|1,0,0]=3 5853 B10R0.32 CCOC(C)C(=O)NC(C)C 34a_100121572206_100000195394 [0,2,0,0,0,0|1,0,0]=3 5854 B10R0.32 CCOC(C)C(=O)NC(C)C 527a_100138425928_100000739345 [0,2,0,0,0,0|1,0,0]=3 5855 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210202 [0,2,0,0,0,0|0,0,0]=2 5856 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210202 [0,2,0,0,0,0|0,0,0]=2 5857 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 11a_100103168634_100015343762 [0,2,0,0,0,0|0,1,1]=4 5858 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 1626a_100103168634_100015343762 [0,2,0,0,0,0|0,1,1]=4 5859 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 240690a_100103168634_100015343762 [0,2,0,0,0,0|0,1,1]=4 5860 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 527a_100103168634_100103153847 [0,2,0,0,0,0|0,1,1]=4 5861 B10R0.32 CCSC(=O)[C@H](C)NC(C)C 2230a_100103168634_100000210206 [0,2,0,0,0,0|0,1,0]=3 5862 B10R0.32 CCSC(C)C(=O)CC(C)C 1458a_100000230601_100000210624 [0,2,0,0,0,0|1,0,0]=3 5863 B10R0.32 CCSC(C)C(=O)CC(C)O 1458a_100000230601_100011218427 [0,2,0,0,0,0|1,0,0]=3 5864 B10R0.32 CCSC(C)C(=O)CC(F)F 1458a_100000230601_100011934356 [0,2,0,0,0,0|2,0,0]=4 5865 B10R0.32 CCSC(C)C(=O)NC(C)C 11a_100138425928_100000230601 [0,2,0,0,0,0|1,0,0]=3 5866 B10R0.32 CCSC(C)C(=O)NC(C)C 1626a_100138425928_100000230601 [0,2,0,0,0,0|1,0,0]=3 5867 B10R0.32 CCSC(C)C(=O)NC(C)C 240690a_100138425928_100000230601 [0,2,0,0,0,0|1,0,0]=3 5868 B10R0.32 CCSC(C)C(=O)NC(C)C 527a_100138425928_100000230601 [0,2,0,0,0,0|1,0,0]=3 5869 B10R0.32 CCSC(C)C(=O)NC(C)C 62a_100000195394_100000210202 [0,2,0,0,0,0|1,0,0]=3 5870 B10R0.32 CCSC(C)C(=O)NC(C)C 62a_100000210202_100000195394 [0,2,0,0,0,0|1,0,0]=3 5871 B10R0.32 CNNC(=O)C(C)CN(C)C 22a_100016993582_200015186601 [0,2,0,0,0,0|2,0,0]=4 5872 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,2,0,0,0,0|2,0,0]=4 5873 B10R0.32 COCC(C)C(=O)C=C(C)C 1458a_100000211388_100000765312 [0,2,0,0,0,0|1,0,1]=4 5874 B10R0.32 COCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000765312 [0,2,0,0,0,0|1,0,1]=4 5875 B10R0.32 COCC(C)C(=O)C=C(C)I 1458a_100025716642_100000765312 [0,2,0,0,0,0|1,0,1]=4 5876 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000210554_100000765312 [0,2,0,0,0,0|1,0,0]=3 5877 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000751857_100000210624 [0,2,0,0,0,0|1,0,0]=3 5878 B10R0.32 COCC(C)C(=O)CC(C)O 1458a_100000751857_100011218427 [0,2,0,0,0,0|1,0,0]=3 5879 B10R0.32 COCC(C)C(=O)CC(F)F 1458a_100000751857_100011934356 [0,2,0,0,0,0|2,0,0]=4 5880 B10R0.32 COCC(C)C(=O)CN(C)C 1458a_100000750896_100000765312 [0,2,0,0,0,0|2,0,0]=4 5881 B10R0.32 COCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000765312 [0,2,0,0,0,0|1,0,0]=3 5882 B10R0.32 COCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000765312 [0,2,0,0,0,0|2,0,0]=4 5883 B10R0.32 COCC(C)C(=O)NC(C)C 11a_100138425928_100000751857 [0,2,0,0,0,0|1,0,0]=3 5884 B10R0.32 COCC(C)C(=O)NC(C)C 1626a_100138425928_100000751857 [0,2,0,0,0,0|1,0,0]=3 5885 B10R0.32 COCC(C)C(=O)NC(C)C 240690a_100138425928_100000751857 [0,2,0,0,0,0|1,0,0]=3 5886 B10R0.32 COCC(C)C(=O)NC(C)C 527a_100138425928_100000751857 [0,2,0,0,0,0|1,0,0]=3 5887 B10R0.32 COC[C@H](N)C(=O)OC(C)C 34a_100121572844_200000210301 [0,2,0,0,0,0|1,0,0]=3 5888 B10R0.32 CSCC(=O)C(C)CC(C)C 1458a_100000184570_100000731052 [0,2,0,0,0,0|2,0,0]=4 5889 B10R0.32 CSCC(C)C(=O)CC(C)C 1458a_100000753918_100000210624 [0,2,0,0,0,0|1,0,0]=3 5890 B10R0.32 CSCC(C)C(=O)CC(C)O 1458a_100000753918_100011218427 [0,2,0,0,0,0|1,0,0]=3 5891 B10R0.32 CSCC(C)C(=O)CC(F)F 1458a_100000753918_100011934356 [0,2,0,0,0,0|2,0,0]=4 5892 B10R0.32 CSCC(C)C(=O)NC(C)C 11a_100138425928_100000753918 [0,2,0,0,0,0|1,0,0]=3 5893 B10R0.32 CSCC(C)C(=O)NC(C)C 1626a_100138425928_100000753918 [0,2,0,0,0,0|1,0,0]=3 5894 B10R0.32 CSCC(C)C(=O)NC(C)C 240690a_100138425928_100000753918 [0,2,0,0,0,0|1,0,0]=3 5895 B10R0.32 CSCC(C)C(=O)NC(C)C 527a_100138425928_100000753918 [0,2,0,0,0,0|1,0,0]=3 5896 B10R0.32 C[C@@H](O)CC(=O)N(C)CCO 240690a_100000210263_100011933948 [0,2,0,0,0,0|2,0,0]=4 5897 B10R0.37 CC(S[13CH3])C(=O)NC(C)(C)C 62a_100000230285_200025704644 [0,2,0,0,0,0|2,0,0]=4 5898 B10R0.37 CC(S[13CH3])C(=O)NC(C)(C)C 62a_200025704644_100000230285 [0,2,0,0,0,0|2,0,0]=4 5899 B10R0.37 CC(S[13CH3])C(=O)OC(C)(C)C 62a_100000758318_200025704644 [0,2,0,0,0,0|1,0,0]=3 5900 B10R0.37 CC(S[13CH3])C(=O)OC(C)(C)C 62a_200025704644_100000758318 [0,2,0,0,0,0|1,0,0]=3 5901 B10R0.37 CCC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000758301 [0,2,0,0,0,0|1,0,0]=3 5902 B10R0.37 CCC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000758301 [0,2,0,0,0,0|1,0,0]=3 5903 B10R0.37 CCC(C)C(=O)CC(F)(F)F 1458a_100000245130_100000758301 [0,2,0,0,0,0|2,0,0]=4 5904 B10R0.37 CCC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100000758301 [0,2,0,0,0,0|2,0,0]=4 5905 B10R0.37 CCC(C)C(=O)C[N+](C)(C)C 1458a_100000033712_100000758301 [0,2,0,0,0,0|2,0,0]=4 5906 B10R0.37 CCC(C)C(=O)C[Si](C)(C)C 1458a_100011192722_100000233785 [0,2,0,0,0,0|1,1,0]=4 5907 B10R0.37 CCC(C)C(=O)C[Si](C)(C)C 1458a_100011218504_100000758301 [0,2,0,0,0,0|1,1,0]=4 5908 B10R0.37 CCC(C)C(=O)NC(C)(C)C 11a_100000715429_100011192722 [0,2,0,0,0,0|1,0,0]=3 5909 B10R0.37 CCC(C)C(=O)NC(C)(C)C 1626a_100000715429_100011192722 [0,2,0,0,0,0|1,0,0]=3 5910 B10R0.37 CCC(C)C(=O)NC(C)(C)C 240690a_100000715429_100011192722 [0,2,0,0,0,0|1,0,0]=3 5911 B10R0.37 CCC(C)C(=O)NC(C)(C)C 527a_100000715429_100011192722 [0,2,0,0,0,0|1,0,0]=3 5912 B10R0.37 CCC(C)C(=O)NS(=O)(=O)C 2740a_100000171171_100011192722 [0,2,0,0,0,0|2,0,0]=4 5913 B10R0.37 CCC(O)C(=O)NC(C)(C)C 240690a_100000715429_100011196387 [0,2,0,0,0,0|2,0,0]=4 5914 B10R0.37 CCN(C)C(=O)CC(C)(C)C 11a_100000225621_100000211214 [0,2,0,0,0,0|2,0,0]=4 5915 B10R0.37 CCN(C)C(=O)CC(C)(C)C 1626a_100000225621_100000211214 [0,2,0,0,0,0|2,0,0]=4 5916 B10R0.37 CCN(C)C(=O)CC(C)(C)C 240690a_100000225621_100000211214 [0,2,0,0,0,0|2,0,0]=4 5917 B10R0.37 CCN(C)C(=O)CC(C)(C)C 527a_100000225621_100000211214 [0,2,0,0,0,0|2,0,0]=4 5918 B10R0.37 CCN(C)C(=O)CC(C)(C)O 527a_100000225621_100000693243 [0,2,0,0,0,0|2,0,0]=4 5919 B10R0.37 CCN(C)C(=O)NC(C)(C)C 273464a_100000715429_100000225621 [0,2,0,0,0,0|2,0,0]=4 5920 B10R0.37 CNC(C)C(=O)NC(C)(C)C 2230a_106832991635_100000230285 [0,2,0,0,0,0|2,0,0]=4 5921 B10R0.37 CNC(C)C(=O)NC(C)(C)C 7a_106832991635_100000230285 [0,2,0,0,0,0|2,0,0]=4 5922 B10R0.37 CNC(C)C(=O)OC(C)(C)C 2230a_106832991635_100000758318 [0,2,0,0,0,0|1,0,0]=3 5923 B10R0.37 CNC(C)C(=O)OC(C)(C)C 34a_100102657272_100000758318 [0,2,0,0,0,0|1,0,0]=3 5924 B10R0.37 CNC(C)C(=O)OC(C)(C)C 7a_106832991635_100000758318 [0,2,0,0,0,0|1,0,0]=3 5925 B10R0.37 COC(C)C(=O)NC(C)(C)C 11a_100000715429_100000743197 [0,2,0,0,0,0|2,0,0]=4 5926 B10R0.37 COC(C)C(=O)NC(C)(C)C 1626a_100000715429_100000743197 [0,2,0,0,0,0|2,0,0]=4 5927 B10R0.37 COC(C)C(=O)NC(C)(C)C 240690a_100000715429_100000743197 [0,2,0,0,0,0|2,0,0]=4 5928 B10R0.37 COC(C)C(=O)NC(C)(C)C 527a_100000715429_100000743197 [0,2,0,0,0,0|2,0,0]=4 5929 B10R0.37 COC(C)C(=O)OC(C)(C)C 34a_100138415774_100000758318 [0,2,0,0,0,0|1,0,0]=3 5930 B10R0.37 CO[C@@H](C)C(=O)OC(C)(C)C 34a_100009815055_200000210301 [0,2,0,0,0,0|1,0,0]=3 5931 B10R0.37 CO[C@@H](C)C(=O)OC(C)(C)C 7a_100009815055_200000210301 [0,2,0,0,0,0|1,0,0]=3 5932 B10R0.37 CSC(C)C(=O)NC(C)(C)C 11a_100000715429_100000149566 [0,2,0,0,0,0|2,0,0]=4 5933 B10R0.37 CSC(C)C(=O)NC(C)(C)C 1626a_100000715429_100000149566 [0,2,0,0,0,0|2,0,0]=4 5934 B10R0.37 CSC(C)C(=O)NC(C)(C)C 240690a_100000715429_100000149566 [0,2,0,0,0,0|2,0,0]=4 5935 B10R0.37 CSC(C)C(=O)NC(C)(C)C 527a_100000715429_100000149566 [0,2,0,0,0,0|2,0,0]=4 5936 B10R0.37 CSC(C)C(=O)NC(C)(C)C 62a_100000230285_200000210301 [0,2,0,0,0,0|2,0,0]=4 5937 B10R0.37 CSC(C)C(=O)NC(C)(C)C 62a_200000210301_100000230285 [0,2,0,0,0,0|2,0,0]=4 5938 B10R0.37 CSC(C)C(=O)OC(C)(C)C 62a_100000758318_200000210301 [0,2,0,0,0,0|1,0,0]=3 5939 B10R0.37 CSC(C)C(=O)OC(C)(C)C 62a_200000210301_100000758318 [0,2,0,0,0,0|1,0,0]=3 5940 B10R0.37 C[C@H](O[13CH3])C(=O)OC(C)(C)C 34a_100009815055_200025704644 [0,2,0,0,0,0|1,0,0]=3 5941 B10R0.37 C[C@H](O[13CH3])C(=O)OC(C)(C)C 7a_100009815055_200025704644 [0,2,0,0,0,0|1,0,0]=3 5942 B10R0.141 CCC(C)S(=O)(=O)NC(C)C 270084a_100138425928_100000685195 [0,2,0,0,0,0|2,0,0]=4 5943 B10R0.141 CCC(C)S(=O)(=O)NC(C)C 274078a_100138425928_100000685195 [0,2,0,0,0,0|2,0,0]=4 5944 B10R0.144 C=C(C)CC(=O)C(CC)CC 1458a_100000211163_100000748629 [0,2,0,0,0,0|1,0,1]=4 5945 B10R0.144 C=C(C)CC(=O)C(CC)OC 1458a_100000747056_100000748629 [0,2,0,0,0,0|1,0,1]=4 5946 B10R0.144 CCC(CC)C(=O)C=C(C)C 1458a_100000211388_100000210505 [0,2,0,0,0,0|1,0,1]=4 5947 B10R0.144 CCC(CC)C(=O)C=C(C)Cl 1458a_200042562850_100000210505 [0,2,0,0,0,0|1,0,1]=4 5948 B10R0.144 CCC(CC)C(=O)C=C(C)I 1458a_100025716642_100000210505 [0,2,0,0,0,0|1,0,1]=4 5949 B10R0.144 CCC(CC)C(=O)CC(C)C 1458a_100000210554_100000210505 [0,2,0,0,0,0|1,0,0]=3 5950 B10R0.144 CCC(CC)C(=O)CC(C)C 1458a_100000211163_100000210624 [0,2,0,0,0,0|1,0,0]=3 5951 B10R0.144 CCC(CC)C(=O)CC(C)O 1458a_100000211163_100011218427 [0,2,0,0,0,0|1,0,0]=3 5952 B10R0.144 CCC(CC)C(=O)CC(F)F 1458a_100000211163_100011934356 [0,2,0,0,0,0|2,0,0]=4 5953 B10R0.144 CCC(CC)C(=O)CN(C)C 1458a_100000750896_100000210505 [0,2,0,0,0,0|2,0,0]=4 5954 B10R0.144 CCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100000210505 [0,2,0,0,0,0|1,0,0]=3 5955 B10R0.144 CCC(CC)C(=O)C[S+](C)C 1458a_200159257847_100000210505 [0,2,0,0,0,0|2,0,0]=4 5956 B10R0.144 CCC(CC)C(=O)NC(C)C 11a_100138425928_100000211163 [0,2,0,0,0,0|1,0,0]=3 5957 B10R0.144 CCC(CC)C(=O)NC(C)C 1626a_100138425928_100000211163 [0,2,0,0,0,0|1,0,0]=3 5958 B10R0.144 CCC(CC)C(=O)NC(C)C 240690a_100138425928_100000211163 [0,2,0,0,0,0|1,0,0]=3 5959 B10R0.144 CCC(CC)C(=O)NC(C)C 527a_100138425928_100000211163 [0,2,0,0,0,0|1,0,0]=3 5960 B10R0.144 CCC(NC)C(=O)NC(C)C 2230a_106832991635_200011763342 [0,2,0,0,0,0|1,0,0]=3 5961 B10R0.144 CCC(NC)C(=O)NC(C)C 34a_100102657272_200011763342 [0,2,0,0,0,0|1,0,0]=3 5962 B10R0.144 CCC(NC)C(=O)NC(C)C 7a_106832991635_200011763342 [0,2,0,0,0,0|1,0,0]=3 5963 B10R0.144 CCC(OC)C(=O)CC(C)C 1458a_100000747056_100000210624 [0,2,0,0,0,0|1,0,0]=3 5964 B10R0.144 CCC(OC)C(=O)CC(C)O 1458a_100000747056_100011218427 [0,2,0,0,0,0|1,0,0]=3 5965 B10R0.144 CCC(OC)C(=O)CC(F)F 1458a_100000747056_100011934356 [0,2,0,0,0,0|2,0,0]=4 5966 B10R0.144 CCC(OC)C(=O)NC(C)C 11a_100138425928_100000747056 [0,2,0,0,0,0|1,0,0]=3 5967 B10R0.144 CCC(OC)C(=O)NC(C)C 1626a_100138425928_100000747056 [0,2,0,0,0,0|1,0,0]=3 5968 B10R0.144 CCC(OC)C(=O)NC(C)C 240690a_100138425928_100000747056 [0,2,0,0,0,0|1,0,0]=3 5969 B10R0.144 CCC(OC)C(=O)NC(C)C 34a_100138415774_200011763342 [0,2,0,0,0,0|1,0,0]=3 5970 B10R0.144 CCC(OC)C(=O)NC(C)C 527a_100138425928_100000747056 [0,2,0,0,0,0|1,0,0]=3 5971 B10R0.144 CCC(SC)C(=O)NC(C)C 62a_200000210301_200011763342 [0,2,0,0,0,0|1,0,0]=3 5972 B10R0.144 CCC(SC)C(=O)NC(C)C 62a_200011763342_200000210301 [0,2,0,0,0,0|1,0,0]=3 5973 B10R0.144 CCC(S[13CH3])C(=O)NC(C)C 62a_200011763342_200025704644 [0,2,0,0,0,0|1,0,0]=3 5974 B10R0.144 CCC(S[13CH3])C(=O)NC(C)C 62a_200025704644_200011763342 [0,2,0,0,0,0|1,0,0]=3 5975 B10R0.144 CCN(CC)C(=O)CC(C)C 11a_100000724800_100000210554 [0,2,0,0,0,0|2,0,0]=4 5976 B10R0.144 CCN(CC)C(=O)CC(C)C 1626a_100000724800_100000210554 [0,2,0,0,0,0|2,0,0]=4 5977 B10R0.144 CCN(CC)C(=O)CC(C)C 240690a_100000724800_100000210554 [0,2,0,0,0,0|2,0,0]=4 5978 B10R0.144 CCN(CC)C(=O)CC(C)C 527a_100000724800_100000210554 [0,2,0,0,0,0|2,0,0]=4 5979 B10R0.144 CCN(CC)C(=O)C[C@@H](C)O 240690a_100000724800_100011933948 [0,2,0,0,0,0|2,0,0]=4 5980 B10R0.144 CCN(CC)C(=O)NC(C)C 2708a_100138425928_100000724800 [0,2,0,0,0,0|2,0,0]=4 5981 B10R0.144 CCN(CC)C(=O)NC(C)C 273464a_100138425928_100000724800 [0,2,0,0,0,0|2,0,0]=4 5982 B10R0.144 COC(OC)C(=O)CC(C)C 1458a_100000046285_100000210624 [0,2,0,0,0,0|2,0,0]=4 5983 B10R0.144 COC(OC)C(=O)CC(C)O 1458a_100000046285_100011218427 [0,2,0,0,0,0|2,0,0]=4 5984 B10R0.144 COC(OC)C(=O)NC(C)C 11a_100138425928_100000046285 [0,2,0,0,0,0|2,0,0]=4 5985 B10R0.144 COC(OC)C(=O)NC(C)C 240690a_100138425928_100000046285 [0,2,0,0,0,0|2,0,0]=4 5986 B10R0.144 COC(OC)C(=O)NC(C)C 527a_100138425928_100000046285 [0,2,0,0,0,0|2,0,0]=4 5987 B10R0.38 C/C=C(\C)/C(=O)C(CC)CC 1458a_100020587367_100000210505 [0,2,0,0,0,0|1,0,1]=4 5988 B10R0.38 CCC(=O)C(=O)N(CC)CC 1458a_200000187824_100000210202 [0,2,0,0,0,0|2,0,0]=4 5989 B10R0.38 CCC(C)C(=O)C(CC)CC 1458a_100000211163_100000758301 [0,2,0,0,0,0|1,0,0]=3 5990 B10R0.38 CCC(C)C(=O)C(CC)CC 1458a_100011192722_100000210505 [0,2,0,0,0,0|1,0,0]=3 5991 B10R0.38 CCC(C)C(=O)C(CC)OC 1458a_100000747056_100000758301 [0,2,0,0,0,0|1,0,0]=3 5992 B10R0.38 CCC(C)C(=O)C(OC)OC 1458a_100000046285_100000758301 [0,2,0,0,0,0|2,0,0]=4 5993 B10R0.38 CCC(C)C(=O)N(CC)CC 11a_100000724800_100011192722 [0,2,0,0,0,0|1,0,0]=3 5994 B10R0.38 CCC(C)C(=O)N(CC)CC 1626a_100000724800_100011192722 [0,2,0,0,0,0|1,0,0]=3 5995 B10R0.38 CCC(C)C(=O)N(CC)CC 240690a_100000724800_100011192722 [0,2,0,0,0,0|1,0,0]=3 5996 B10R0.38 CCC(C)C(=O)N(CC)CC 527a_100000724800_100011192722 [0,2,0,0,0,0|1,0,0]=3 5997 B10R0.38 CCC(CC)C(=O)C(=O)NC 1458a_100011218921_100000210505 [0,2,0,0,0,0|2,0,0]=4 5998 B10R0.38 CCC(CC)C(=O)C(C)OC 1458a_100000743197_100000210505 [0,2,0,0,0,0|2,0,0]=4 5999 B10R0.38 CCC(CC)C(=O)C(C)SC 1458a_100000149566_100000210505 [0,2,0,0,0,0|2,0,0]=4 6000 B10R0.38 CCC(CC)C(=O)C(O)CO 1458a_100011215603_100000210505 [0,2,0,0,0,0|2,0,0]=4 6001 B10R0.38 CCC(CC)C(=O)N(C)CC 11a_100000225621_100000211163 [0,2,0,0,0,0|1,0,0]=3 6002 B10R0.38 CCC(CC)C(=O)N(C)CC 1626a_100000225621_100000211163 [0,2,0,0,0,0|1,0,0]=3 6003 B10R0.38 CCC(CC)C(=O)N(C)CC 240690a_100000225621_100000211163 [0,2,0,0,0,0|1,0,0]=3 6004 B10R0.38 CCC(CC)C(=O)N(C)CC 527a_100000225621_100000211163 [0,2,0,0,0,0|1,0,0]=3 6005 B10R0.38 CCC(O)C(=O)C(CC)CC 1458a_100011196387_100000210505 [0,2,0,0,0,0|1,0,0]=3 6006 B10R0.38 CCC(O)C(=O)N(CC)CC 240690a_100000724800_100011196387 [0,2,0,0,0,0|2,0,0]=4 6007 B10R0.38 CCC(OC)C(=O)N(C)CC 11a_100000225621_100000747056 [0,2,0,0,0,0|1,0,0]=3 6008 B10R0.38 CCC(OC)C(=O)N(C)CC 1626a_100000225621_100000747056 [0,2,0,0,0,0|1,0,0]=3 6009 B10R0.38 CCC(OC)C(=O)N(C)CC 240690a_100000225621_100000747056 [0,2,0,0,0,0|1,0,0]=3 6010 B10R0.38 CCC(OC)C(=O)N(C)CC 527a_100000225621_100000747056 [0,2,0,0,0,0|1,0,0]=3 6011 B10R0.38 CCN(C)C(=O)C(OC)OC 11a_100000225621_100000046285 [0,2,0,0,0,0|2,0,0]=4 6012 B10R0.38 CCN(C)C(=O)C(OC)OC 240690a_100000225621_100000046285 [0,2,0,0,0,0|2,0,0]=4 6013 B10R0.38 CCN(C)C(=O)C(OC)OC 527a_100000225621_100000046285 [0,2,0,0,0,0|2,0,0]=4 6014 B10R0.38 CCN(CC)C(=O)C(C)NC 2230a_106832991635_100000735968 [0,2,0,0,0,0|2,0,0]=4 6015 B10R0.38 CCN(CC)C(=O)C(C)NC 7a_106832991635_100000735968 [0,2,0,0,0,0|2,0,0]=4 6016 B10R0.38 CCN(CC)C(=O)C(C)OC 11a_100000724800_100000743197 [0,2,0,0,0,0|2,0,0]=4 6017 B10R0.38 CCN(CC)C(=O)C(C)OC 1626a_100000724800_100000743197 [0,2,0,0,0,0|2,0,0]=4 6018 B10R0.38 CCN(CC)C(=O)C(C)OC 240690a_100000724800_100000743197 [0,2,0,0,0,0|2,0,0]=4 6019 B10R0.38 CCN(CC)C(=O)C(C)OC 527a_100000724800_100000743197 [0,2,0,0,0,0|2,0,0]=4 6020 B10R0.38 CCN(CC)C(=O)C(C)SC 11a_100000724800_100000149566 [0,2,0,0,0,0|2,0,0]=4 6021 B10R0.38 CCN(CC)C(=O)C(C)SC 1626a_100000724800_100000149566 [0,2,0,0,0,0|2,0,0]=4 6022 B10R0.38 CCN(CC)C(=O)C(C)SC 240690a_100000724800_100000149566 [0,2,0,0,0,0|2,0,0]=4 6023 B10R0.38 CCN(CC)C(=O)C(C)SC 527a_100000724800_100000149566 [0,2,0,0,0,0|2,0,0]=4 6024 B10R0.38 CCN(CC)C(=O)C(C)SC 62a_100000735968_200000210301 [0,2,0,0,0,0|2,0,0]=4 6025 B10R0.38 CCN(CC)C(=O)C(C)SC 62a_200000210301_100000735968 [0,2,0,0,0,0|2,0,0]=4 6026 B10R0.38 CCN(CC)C(=O)C(C)S[13CH3] 62a_100000735968_200025704644 [0,2,0,0,0,0|2,0,0]=4 6027 B10R0.38 CCN(CC)C(=O)C(C)S[13CH3] 62a_200025704644_100000735968 [0,2,0,0,0,0|2,0,0]=4 6028 B10R0.142 CCC(C)S(=O)(=O)N(C)CC 270084a_100000225621_100000685195 [0,2,0,0,0,0|2,0,0]=4 6029 B10R0.142 CCC(C)S(=O)(=O)N(C)CC 274078a_100000225621_100000685195 [0,2,0,0,0,0|2,0,0]=4 6030 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [1,0,0,1,0,0|1,0,1]=4 6031 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [1,0,0,1,0,0|1,0,1]=4 6032 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [1,0,0,1,0,0|1,0,1]=4 6033 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,0,0,1,0,0|1,0,1]=4 6034 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,0,0,1,0,0|1,0,1]=4 6035 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,0,0,1,0,0|1,0,1]=4 6036 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,1,0,0|2,0,0]=4 6037 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,1,0,0|2,0,0]=4 6038 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,1,0,0|1,0,1]=4 6039 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,1,0,0|1,0,1]=4 6040 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,1,0,0|1,0,1]=4 6041 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,1,0,0|1,0,1]=4 6042 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,1,0,0|1,0,1]=4 6043 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|2,0,0]=4 6044 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|1,0,1]=4 6045 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|1,0,1]=4 6046 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|2,0,0]=4 6047 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|2,0,0]=4 6048 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|1,0,1]=4 6049 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,1,0,0|1,0,1]=4 6050 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,1,0,0|1,0,1]=4 6051 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|2,0,0]=4 6052 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|1,0,1]=4 6053 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|2,0,0]=4 6054 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|2,0,0]=4 6055 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|1,0,1]=4 6056 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [1,0,0,1,0,0|1,0,1]=4 6057 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [1,0,0,1,0,0|1,0,1]=4 6058 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [1,0,0,1,0,0|1,0,1]=4 6059 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [1,0,0,1,0,0|1,0,1]=4 6060 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [1,0,0,1,0,0|1,0,1]=4 6061 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [1,0,0,1,0,0|1,0,1]=4 6062 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [1,0,0,1,0,0|1,0,1]=4 6063 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [1,0,0,1,0,0|1,0,1]=4 6064 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|0,0,1]=3 6065 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|0,0,1]=3 6066 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [1,0,0,1,0,0|2,0,0]=4 6067 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [1,0,0,1,0,0|2,0,0]=4 6068 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [1,0,0,1,0,0|2,0,0]=4 6069 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [1,0,0,1,0,0|2,0,0]=4 6070 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [1,0,0,1,0,0|2,0,0]=4 6071 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [1,0,0,1,0,0|2,0,0]=4 6072 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,1,0,0|1,0,1]=4 6073 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,1,0,0|1,0,1]=4 6074 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,1,0,0|1,0,1]=4 6075 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,1,0,0|1,0,1]=4 6076 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|0,0,1]=3 6077 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|0,0,1]=3 6078 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [1,0,0,1,0,0|1,0,1]=4 6079 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [1,0,0,1,0,0|1,0,1]=4 6080 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [1,0,0,1,0,0|1,0,1]=4 6081 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|1,0,1]=4 6082 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|1,0,1]=4 6083 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [1,0,0,1,0,0|1,0,1]=4 6084 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,1,0,0|0,1,1]=4 6085 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,1,0,0|0,1,1]=4 6086 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [1,0,0,1,0,0|1,0,1]=4 6087 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [1,0,0,1,0,0|2,0,0]=4 6088 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [1,0,0,1,0,0|2,0,0]=4 6089 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [1,0,0,1,0,0|2,0,0]=4 6090 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [1,0,0,1,0,0|2,0,0]=4 6091 B8R1.40 CCC(C)SC1CC1 62a_100000758301_100000211595 [1,0,0,1,0,0|2,0,0]=4 6092 B8R1.41 CC1(CC1)COCF 7a_100000698024_100015361967 [1,0,0,1,0,0|1,0,1]=4 6093 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [1,0,0,1,0,0|2,0,0]=4 6094 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [1,0,0,1,0,0|2,0,0]=4 6095 B8R1.41 CCNCC1(CC1)C 2230a_100000766693_100000210202 [1,0,0,1,0,0|1,0,1]=4 6096 B8R1.41 CCOCC1(CC1)C 7a_100000698024_100000210202 [1,0,0,1,0,0|0,0,1]=3 6097 B8R1.41 CCOCC1(CC1)F 34a_200000703853_100000210202 [1,0,0,1,0,0|1,0,1]=4 6098 B8R1.41 CCOCC1(CC1)F 7a_200000703853_100000210202 [1,0,0,1,0,0|1,0,1]=4 6099 B8R1.41 CCOCC1(CO1)C 34a_100121572206_100000760498 [1,0,0,1,0,0|1,0,1]=4 6100 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [1,0,0,1,0,0|1,0,1]=4 6101 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [1,0,0,1,0,0|1,0,1]=4 6102 B8R1.52 CC1(CCOC1)N[13CH3] 2230a_100000693475_200025704644 [1,0,0,1,0,0|1,0,1]=4 6103 B8R1.52 CNC1(CCOC1)C 2230a_100000693475_200000210301 [1,0,0,1,0,0|1,0,1]=4 6104 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|1,0,0]=3 6105 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|2,0,0]=4 6106 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 6107 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 6108 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [1,0,0,1,0,0|1,0,0]=3 6109 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 6110 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 6111 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 6112 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [1,0,0,1,0,0|1,0,1]=4 6113 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [1,0,0,1,0,0|1,0,1]=4 6114 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [1,0,0,1,0,0|2,0,0]=4 6115 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [1,0,0,1,0,0|2,0,0]=4 6116 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [1,0,0,1,0,0|2,0,0]=4 6117 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [1,0,0,1,0,0|2,0,0]=4 6118 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [1,0,0,1,0,0|2,0,0]=4 6119 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [1,0,0,1,0,0|2,0,0]=4 6120 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [1,0,0,1,0,0|2,0,0]=4 6121 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [1,0,0,1,0,0|2,0,0]=4 6122 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [1,0,0,1,0,0|2,0,0]=4 6123 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [1,0,0,1,0,0|2,0,0]=4 6124 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [1,0,0,1,0,0|2,0,0]=4 6125 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [1,0,0,1,0,0|2,0,0]=4 6126 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [1,0,0,1,0,0|2,0,0]=4 6127 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [1,0,0,1,0,0|1,0,0]=3 6128 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [1,0,0,1,0,0|2,0,0]=4 6129 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [1,0,0,1,0,0|2,0,0]=4 6130 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [1,0,0,1,0,0|2,0,0]=4 6131 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [1,0,0,1,0,0|2,0,0]=4 6132 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [1,0,0,1,0,0|2,0,0]=4 6133 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 6134 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,0]=3 6135 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 6136 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,0]=3 6137 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 6138 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,1]=4 6139 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 6140 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|0,0,2]=4 6141 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 6142 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|2,0,0]=4 6143 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 6144 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 6145 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 6146 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 6147 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|1,0,0]=3 6148 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 6149 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|2,0,0]=4 6150 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|2,0,0]=4 6151 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|1,0,0]=3 6152 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,0,0,1,0,0|2,0,0]=4 6153 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|2,0,0]=4 6154 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|2,0,0]=4 6155 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|1,0,0]=3 6156 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|1,0,0]=3 6157 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 6158 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 6159 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|2,0,0]=4 6160 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,0,0,1,0,0|2,0,0]=4 6161 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|2,0,0]=4 6162 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|2,0,0]=4 6163 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|1,0,0]=3 6164 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|1,0,0]=3 6165 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [1,0,0,1,0,0|1,0,1]=4 6166 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [1,0,0,1,0,0|1,0,1]=4 6167 B8R1.39 CC1(CC1)C(=O)CF 1458a_100000756474_100015361967 [1,0,0,1,0,0|1,0,0]=3 6168 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [1,0,0,1,0,0|0,0,0]=2 6169 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [1,0,0,1,0,0|1,0,0]=3 6170 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [1,0,0,1,0,0|1,0,0]=3 6171 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [1,0,0,1,0,0|1,0,0]=3 6172 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [1,0,0,1,0,0|1,0,0]=3 6173 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [1,0,0,1,0,0|1,0,0]=3 6174 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [1,0,0,1,0,0|1,0,0]=3 6175 B8R1.39 CNC(=O)C1(CC1)F 11a_106832991635_100000055089 [1,0,0,1,0,0|2,0,0]=4 6176 B8R1.39 CNC(=O)C1(CC1)F 1626a_100102657272_100000055089 [1,0,0,1,0,0|2,0,0]=4 6177 B8R1.39 CNC(=O)C1(CC1)F 240690a_100102657272_100000055089 [1,0,0,1,0,0|2,0,0]=4 6178 B8R1.39 CNC(=O)C1(CC1)F 527a_100102657272_100000055089 [1,0,0,1,0,0|2,0,0]=4 6179 B8R1.39 CNC(=O)C1(CC1)O 240690a_100102657272_100000241761 [1,0,0,1,0,0|2,0,0]=4 6180 B8R1.39 O=C(CF)C1(CC1)F 1458a_100000055089_100015361967 [1,0,0,1,0,0|2,0,0]=4 6181 B8R1.39 O=C(CF)C1(CC1)O 1458a_100000241761_100015361967 [1,0,0,1,0,0|2,0,0]=4 6182 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,0,0,1,0,1|1,0,1]=4 6183 B10R1.25 CCN1CCN(CC1=O)C 2230a_100000701330_200000210301 [0,0,0,1,0,1|2,0,0]=4 6184 B10R1.25 CCN1CCN(CC1=O)C 269982a_100000701330_200000210301 [0,0,0,1,0,1|2,0,0]=4 6185 B10R1.25 CCN1CCN(CC1=O)[13CH3] 2230a_100000701330_200025704644 [0,0,0,1,0,1|2,0,0]=4 6186 B10R1.25 CCN1CCN(CC1=O)[13CH3] 269982a_100000701330_200025704644 [0,0,0,1,0,1|2,0,0]=4 6187 B10R1.27 CCC(C)OC1CCCO1 34a_100000085407_100011215416 [0,0,0,1,0,1|1,0,1]=4 6188 B10R1.35 CCN1CC(CC1=O)NC 2230a_100015184948_200000210301 [0,0,0,1,0,1|2,0,0]=4 6189 B10R1.35 CCN1CC(CC1=O)NC 34a_100015184948_200000210301 [0,0,0,1,0,1|2,0,0]=4 6190 B10R1.35 CCN1CC(CC1=O)N[13CH3] 2230a_100015184948_200025704644 [0,0,0,1,0,1|2,0,0]=4 6191 B10R1.35 CCN1CC(CC1=O)N[13CH3] 34a_100015184948_200025704644 [0,0,0,1,0,1|2,0,0]=4 6192 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [0,0,0,1,0,1|1,0,0]=3 6193 B10R1.134 CCC(C)CC(=O)C1CO1 1458a_100000701028_100000748023 [0,0,0,1,0,1|2,0,0]=4 6194 B10R1.134 CCC(C)NC(=O)C1CC1 11a_100000209981_100000210395 [0,0,0,1,0,1|1,0,0]=3 6195 B10R1.134 CCC(C)NC(=O)C1CC1 1626a_100000209981_100000210395 [0,0,0,1,0,1|1,0,0]=3 6196 B10R1.134 CCC(C)NC(=O)C1CC1 240690a_100000209981_100000210395 [0,0,0,1,0,1|1,0,0]=3 6197 B10R1.134 CCC(C)NC(=O)C1CC1 527a_100000209981_100000210395 [0,0,0,1,0,1|1,0,0]=3 6198 B10R1.134 CCC(C)NC(=O)C1CO1 11a_100000209981_100000701028 [0,0,0,1,0,1|2,0,0]=4 6199 B10R1.134 CCC(C)NC(=O)C1CO1 1626a_100000209981_100000701028 [0,0,0,1,0,1|2,0,0]=4 6200 B10R1.134 CCC(C)NC(=O)C1CO1 240690a_100000209981_100000701028 [0,0,0,1,0,1|2,0,0]=4 6201 B10R1.134 CCC(C)NC(=O)C1CO1 527a_100000209981_100000701028 [0,0,0,1,0,1|2,0,0]=4 6202 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [0,0,0,1,0,1|2,0,0]=4 6203 B10R1.134 CCN(C)CC(=O)C1CC1 2230a_100000225621_100000746382 [0,0,0,1,0,1|2,0,0]=4 6204 B10R1.134 CCN(C)CC(=O)C1CC1 269982a_100000225621_100000746382 [0,0,0,1,0,1|2,0,0]=4 6205 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [0,0,0,1,0,1|1,0,0]=3 6206 B10R1.134 CC[C@H](C)CC(=O)C1CO1 1458a_100000701028_100009816398 [0,0,0,1,0,1|2,0,0]=4 6207 B10R1.134 C[C@@H](CO)CC(=O)C1CC1 1458a_100000210395_100000059175 [0,0,0,1,0,1|2,0,0]=4 6208 B10R1.134 C[C@H](CF)NC(=O)C1CC1 11a_100102880703_100000210395 [0,0,0,1,0,1|2,0,0]=4 6209 B10R1.134 C[C@H](CF)NC(=O)C1CC1 1626a_100102880703_100000210395 [0,0,0,1,0,1|2,0,0]=4 6210 B10R1.134 C[C@H](CF)NC(=O)C1CC1 240690a_100102880703_100000210395 [0,0,0,1,0,1|2,0,0]=4 6211 B10R1.134 C[C@H](CF)NC(=O)C1CC1 527a_100102880703_100000210395 [0,0,0,1,0,1|2,0,0]=4 6212 B10R1.134 C[C@H](CO)NC(=O)C1CC1 240690a_100000737577_100000210395 [0,0,0,1,0,1|2,0,0]=4 6213 B10R1.134 C[C@H](CO)NC(=O)C1CC1 527a_100000737577_100000210395 [0,0,0,1,0,1|2,0,0]=4 6214 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,0,0,1,0,1|2,0,0]=4 6215 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,0,0,1,0,1|2,0,0]=4 6216 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [0,0,0,1,0,1|2,0,0]=4 6217 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,0,0,1,0,1|1,0,0]=3 6218 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,0,0,1,0,1|1,0,0]=3 6219 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,0,0,1,0,1|1,0,0]=3 6220 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,0,0,1,0,1|1,0,0]=3 6221 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [0,0,0,1,0,1|2,0,0]=4 6222 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [0,0,0,1,0,1|2,0,0]=4 6223 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 6224 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 6225 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 6226 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [0,0,0,1,0,1|2,0,0]=4 6227 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100015525214_100015190264 [0,0,0,1,0,1|2,0,0]=4 6228 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100015525214 [0,0,0,1,0,1|2,0,0]=4 6229 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015525214_100015190264 [0,0,0,1,0,1|2,0,0]=4 6230 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100015525214_100015190264 [0,0,0,1,0,1|2,0,0]=4 6231 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 2708a_100015525214_100025746932 [0,0,0,1,0,1|2,0,0]=4 6232 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100015525214_100025746932 [0,0,0,1,0,1|2,0,0]=4 6233 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100015525214_100025746932 [0,0,0,1,0,1|2,0,0]=4 6234 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100015525214 [0,0,0,1,0,1|2,0,0]=4 6235 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [0,0,0,1,0,1|1,0,1]=4 6236 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,0,0,1,0,1|1,0,1]=4 6237 B10R1.137 CC=CC(=O)NC1CCC1 11a_100000749019_100000210699 [0,0,0,1,0,1|1,0,1]=4 6238 B10R1.137 CC=CC(=O)NC1CCC1 1626a_100000749019_100000210699 [0,0,0,1,0,1|1,0,1]=4 6239 B10R1.137 CC=CC(=O)NC1CCC1 240690a_100000749019_100000210699 [0,0,0,1,0,1|1,0,1]=4 6240 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [0,0,0,1,0,1|1,0,1]=4 6241 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,0,0,1,0,1|1,0,0]=3 6242 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,0,0,1,0,1|1,0,0]=3 6243 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,0,0,1,0,1|2,0,0]=4 6244 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,0,0,1,0,1|2,0,0]=4 6245 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,0,0,1,0,1|2,0,0]=4 6246 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,0,0,1,0,1|2,0,0]=4 6247 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [0,0,0,1,0,1|1,0,0]=3 6248 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [0,0,0,1,0,1|1,0,0]=3 6249 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [0,0,0,1,0,1|1,0,0]=3 6250 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [0,0,0,1,0,1|1,0,0]=3 6251 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [0,0,0,1,0,1|2,0,0]=4 6252 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [0,0,0,1,0,1|2,0,0]=4 6253 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [0,0,0,1,0,1|2,0,0]=4 6254 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [0,0,0,1,0,1|2,0,0]=4 6255 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [0,0,0,1,0,1|2,0,0]=4 6256 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [0,0,0,1,0,1|2,0,0]=4 6257 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [0,0,0,1,0,1|2,0,0]=4 6258 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [0,0,0,1,0,1|2,0,0]=4 6259 B10R1.137 CCNC(=O)C=C1CCC1 11a_100015525214_100000686340 [0,0,0,1,0,1|1,0,1]=4 6260 B10R1.137 CCNC(=O)C=C1CCC1 240690a_100015525214_100000686340 [0,0,0,1,0,1|1,0,1]=4 6261 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,0,0,1,0,1|1,0,0]=3 6262 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,0,0,1,0,1|1,0,0]=3 6263 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,0,0,1,0,1|1,0,0]=3 6264 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,0,0,1,0,1|2,0,0]=4 6265 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [0,0,0,1,0,1|2,0,0]=4 6266 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [0,0,0,1,0,1|1,0,0]=3 6267 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [0,0,0,1,0,1|1,0,0]=3 6268 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [0,0,0,1,0,1|1,0,0]=3 6269 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [0,0,0,1,0,1|1,0,0]=3 6270 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [0,0,0,1,0,1|1,0,0]=3 6271 B10R1.137 CCNC(=O)NC1COC1 2708a_100015525214_100016991112 [0,0,0,1,0,1|2,0,0]=4 6272 B10R1.137 CCNC(=O)NC1COC1 2708a_100016991112_100015525214 [0,0,0,1,0,1|2,0,0]=4 6273 B10R1.137 CCNC(=O)NC1COC1 273464a_100015525214_100016991112 [0,0,0,1,0,1|2,0,0]=4 6274 B10R1.137 CCNC(=O)NC1COC1 273464a_100016991112_100015525214 [0,0,0,1,0,1|2,0,0]=4 6275 B10R1.137 CCNC(=O)NC1COC1 512a_100015525214_100016991112 [0,0,0,1,0,1|2,0,0]=4 6276 B10R1.137 CCNC(=O)NC1COC1 512a_100016991112_100015525214 [0,0,0,1,0,1|2,0,0]=4 6277 B10R1.137 CCNC(=O)NC1CSC1 2708a_100015525214_100016994217 [0,0,0,1,0,1|2,0,0]=4 6278 B10R1.137 CCNC(=O)NC1CSC1 2708a_100016994217_100015525214 [0,0,0,1,0,1|2,0,0]=4 6279 B10R1.137 CCNC(=O)NC1CSC1 273464a_100015525214_100016994217 [0,0,0,1,0,1|2,0,0]=4 6280 B10R1.137 CCNC(=O)NC1CSC1 273464a_100016994217_100015525214 [0,0,0,1,0,1|2,0,0]=4 6281 B10R1.137 CCNC(=O)NC1CSC1 512a_100015525214_100016994217 [0,0,0,1,0,1|2,0,0]=4 6282 B10R1.137 CCNC(=O)NC1CSC1 512a_100016994217_100015525214 [0,0,0,1,0,1|2,0,0]=4 6283 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,0,0,1,0,1|1,0,0]=3 6284 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [0,0,0,1,0,1|2,0,0]=4 6285 B10R1.137 CNNC(=O)NC1CCC1 273464a_100000749019_100016993582 [0,0,0,1,0,1|2,0,0]=4 6286 B10R1.137 CNNC(=O)NC1CCC1 512a_100000749019_100016993582 [0,0,0,1,0,1|2,0,0]=4 6287 B10R1.137 CNNC(=O)NC1CCC1 512a_100016993582_100000749019 [0,0,0,1,0,1|2,0,0]=4 6288 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,0,0,1,0,1|2,0,0]=4 6289 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [0,0,0,1,0,1|2,0,0]=4 6290 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [0,0,0,1,0,1|2,0,0]=4 6291 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [0,0,0,1,0,1|2,0,0]=4 6292 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [0,0,0,1,0,1|2,0,0]=4 6293 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,0,0,1,0,1|2,0,0]=4 6294 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [0,0,0,1,0,1|2,0,0]=4 6295 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [0,0,0,1,0,1|2,0,0]=4 6296 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [0,0,0,1,0,1|2,0,0]=4 6297 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [0,0,0,1,0,1|2,0,0]=4 6298 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,0,0,1,0,1|2,0,0]=4 6299 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,0,0,1,0,1|2,0,0]=4 6300 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,0,0,1,0,1|2,0,0]=4 6301 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [0,0,0,1,0,1|2,0,0]=4 6302 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [0,0,0,1,0,1|2,0,0]=4 6303 B10R1.139 CC=CC(=O)N1CCC1C 11a_100000755817_100000210699 [0,0,0,1,0,1|1,0,1]=4 6304 B10R1.139 CC=CC(=O)N1CCC1C 240690a_100000755817_100000210699 [0,0,0,1,0,1|1,0,1]=4 6305 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,0,0,1,0,1|1,0,0]=3 6306 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,0,0,1,0,1|1,0,0]=3 6307 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,0,0,1,0,1|1,0,0]=3 6308 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,0,0,1,0,1|1,0,0]=3 6309 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,0,0,1,0,1|1,0,0]=3 6310 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,0,0,1,0,1|2,0,0]=4 6311 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,0,0,1,0,1|2,0,0]=4 6312 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,0,0,1,0,1|2,0,0]=4 6313 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [0,0,0,1,0,1|2,0,0]=4 6314 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [0,0,0,1,0,1|2,0,0]=4 6315 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [0,0,0,1,0,1|2,0,0]=4 6316 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,0,0,1,0,1|1,0,1]=4 6317 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [0,0,0,1,0,1|2,0,0]=4 6318 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [0,0,0,1,0,1|2,0,0]=4 6319 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,0,0,1,0,1|1,0,0]=3 6320 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,0,0,1,0,1|1,0,0]=3 6321 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,0,0,1,0,1|2,0,0]=4 6322 B10R1.181 CC1(CC1)CC(=O)CCF 1458a_100000112800_100011217306 [0,0,0,1,0,1|2,0,0]=4 6323 B10R1.181 CC1(CC1)CC(=O)CCO 1458a_100000112800_100000211926 [0,0,0,1,0,1|2,0,0]=4 6324 B10R1.181 CC1(CC1)NC(=O)CCO 240690a_100000757604_100011216618 [0,0,0,1,0,1|2,0,0]=4 6325 B10R1.181 CC=CC(=O)NC1(CC1)C 11a_100000757604_100000210699 [0,0,0,1,0,1|1,0,1]=4 6326 B10R1.181 CC=CC(=O)NC1(CC1)C 1626a_100000757604_100000210699 [0,0,0,1,0,1|1,0,1]=4 6327 B10R1.181 CC=CC(=O)NC1(CC1)C 240690a_100000757604_100000210699 [0,0,0,1,0,1|1,0,1]=4 6328 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [0,0,0,1,0,1|1,0,0]=3 6329 B10R1.181 CCCC(=O)CC1(CO1)C 1458a_100000211992_100000760498 [0,0,0,1,0,1|2,0,0]=4 6330 B10R1.181 CCCC(=O)NC1(CC1)C 11a_100000757604_100000211992 [0,0,0,1,0,1|1,0,0]=3 6331 B10R1.181 CCCC(=O)NC1(CC1)C 1626a_100000757604_100000211992 [0,0,0,1,0,1|1,0,0]=3 6332 B10R1.181 CCCC(=O)NC1(CC1)C 240690a_100000757604_100000211992 [0,0,0,1,0,1|1,0,0]=3 6333 B10R1.181 CCCC(=O)NC1(CC1)C 527a_100000757604_100000211992 [0,0,0,1,0,1|1,0,0]=3 6334 B10R1.181 CCNC(=O)CC1(CC1)C 11a_100015525214_100000112800 [0,0,0,1,0,1|1,0,0]=3 6335 B10R1.181 CCNC(=O)CC1(CC1)C 240690a_100015525214_100000112800 [0,0,0,1,0,1|1,0,0]=3 6336 B10R1.181 CCNC(=O)CC1(CC1)C 527a_100015525214_100000112800 [0,0,0,1,0,1|1,0,0]=3 6337 B10R1.181 CCNC(=O)NC1(CC1)C 2708a_100015525214_100000757604 [0,0,0,1,0,1|1,0,0]=3 6338 B10R1.181 CCNC(=O)NC1(CC1)C 273464a_100000757604_100015525214 [0,0,0,1,0,1|1,0,0]=3 6339 B10R1.181 CCNC(=O)NC1(CC1)C 273464a_100015525214_100000757604 [0,0,0,1,0,1|1,0,0]=3 6340 B10R1.181 CCNC(=O)NC1(CC1)C 512a_100000757604_100015525214 [0,0,0,1,0,1|1,0,0]=3 6341 B10R1.181 CNNC(=O)CC1(CC1)C 22a_100016993582_100000112800 [0,0,0,1,0,1|2,0,0]=4 6342 B10R1.181 CNNC(=O)NC1(CC1)C 273464a_100000757604_100016993582 [0,0,0,1,0,1|2,0,0]=4 6343 B10R1.181 CNNC(=O)NC1(CC1)C 512a_100000757604_100016993582 [0,0,0,1,0,1|2,0,0]=4 6344 B10R1.181 COCC(=O)NC1(CC1)C 11a_100000757604_100000210968 [0,0,0,1,0,1|2,0,0]=4 6345 B10R1.181 COCC(=O)NC1(CC1)C 1626a_100000757604_100000210968 [0,0,0,1,0,1|2,0,0]=4 6346 B10R1.181 COCC(=O)NC1(CC1)C 240690a_100000757604_100000210968 [0,0,0,1,0,1|2,0,0]=4 6347 B10R1.181 COCC(=O)NC1(CC1)C 527a_100000757604_100000210968 [0,0,0,1,0,1|2,0,0]=4 6348 B10R1.181 CSCC(=O)NC1(CC1)C 11a_100000757604_100000184570 [0,0,0,1,0,1|2,0,0]=4 6349 B10R1.181 CSCC(=O)NC1(CC1)C 1626a_100000757604_100000184570 [0,0,0,1,0,1|2,0,0]=4 6350 B10R1.181 CSCC(=O)NC1(CC1)C 240690a_100000757604_100000184570 [0,0,0,1,0,1|2,0,0]=4 6351 B10R1.181 CSCC(=O)NC1(CC1)C 527a_100000757604_100000184570 [0,0,0,1,0,1|2,0,0]=4 6352 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [0,1,0,1,0,0|0,0,1]=3 6353 B10R1.59 CC1CC(C(=O)O1)N(C)C 2230a_100102631434_200000216747 [0,1,0,1,0,0|1,0,0]=3 6354 B10R1.59 CC1CC(C(=O)O1)N(C)C 269982a_100102631434_200000216747 [0,1,0,1,0,0|1,0,0]=3 6355 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|1,0,1]=4 6356 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|1,0,1]=4 6357 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|1,0,1]=4 6358 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,1,0,1,0,0|2,0,0]=4 6359 B10R1.61 CN(C)C1CCCNC1=O 2230a_100102631434_100000687798 [0,1,0,1,0,0|2,0,0]=4 6360 B10R1.61 CN(C)C1CCCNC1=O 269982a_100102631434_100000687798 [0,1,0,1,0,0|2,0,0]=4 6361 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|1,0,1]=4 6362 B10R1.94 CCNC1CCN(C1=O)C 2230a_100015525214_100000755940 [0,1,0,1,0,0|2,0,0]=4 6363 B10R1.94 CCOC1CCN(C1=O)C 34a_100121572206_100000755940 [0,1,0,1,0,0|1,0,0]=3 6364 B10R1.94 CCSC1CCN(C1=O)C 62a_100000210202_100000755940 [0,1,0,1,0,0|1,1,0]=4 6365 B10R1.94 CCSC1CCN(C1=O)C 62a_100000755940_100000210202 [0,1,0,1,0,0|1,1,0]=4 6366 B10R1.94 CN1CCC(C1=O)CO[13CH3] 34a_100009823153_200025704644 [0,1,0,1,0,0|2,0,0]=4 6367 B10R1.94 COCC1CCN(C1=O)C 34a_100009823153_200000210301 [0,1,0,1,0,0|2,0,0]=4 6368 B10R1.212 CC(CC#N)C(=O)C1CC1 1458a_100000210395_100009813641 [0,1,0,1,0,0|1,0,1]=4 6369 B10R1.212 CC(CCO)C(=O)C1CC1 1458a_100000210395_100009893172 [0,1,0,1,0,0|1,0,0]=3 6370 B10R1.212 CC(CCO)C(=O)C1CO1 1458a_100000701028_100009893172 [0,1,0,1,0,0|2,0,0]=4 6371 B10R1.212 CCCC(=O)N(C)C1CC1 11a_100000226674_100000211992 [0,1,0,1,0,0|2,0,0]=4 6372 B10R1.212 CCCC(=O)N(C)C1CC1 1626a_100000226674_100000211992 [0,1,0,1,0,0|2,0,0]=4 6373 B10R1.212 CCCC(=O)N(C)C1CC1 240690a_100000226674_100000211992 [0,1,0,1,0,0|2,0,0]=4 6374 B10R1.212 CCCC(=O)N(C)C1CC1 527a_100000226674_100000211992 [0,1,0,1,0,0|2,0,0]=4 6375 B10R1.212 CCCC(C)C(=O)C1CC1 1458a_100000210395_100000766640 [0,1,0,1,0,0|1,0,0]=3 6376 B10R1.212 CCCC(C)C(=O)C1CO1 1458a_100000701028_100000766640 [0,1,0,1,0,0|2,0,0]=4 6377 B10R1.212 CCCN(C)C(=O)C1CC1 11a_100000747261_100000210395 [0,1,0,1,0,0|2,0,0]=4 6378 B10R1.212 CCCN(C)C(=O)C1CC1 1626a_100000747261_100000210395 [0,1,0,1,0,0|2,0,0]=4 6379 B10R1.212 CCCN(C)C(=O)C1CC1 240690a_100000747261_100000210395 [0,1,0,1,0,0|2,0,0]=4 6380 B10R1.212 CCCN(C)C(=O)C1CC1 527a_100000747261_100000210395 [0,1,0,1,0,0|2,0,0]=4 6381 B10R1.212 CCNC(=O)N(C)C1CC1 2708a_100015525214_100000226674 [0,1,0,1,0,0|2,0,0]=4 6382 B10R1.212 CCNC(=O)N(C)C1CC1 273464a_100015525214_100000226674 [0,1,0,1,0,0|2,0,0]=4 6383 B10R1.212 CN(CCO)C(=O)C1CC1 240690a_100000210263_100000210395 [0,1,0,1,0,0|2,0,0]=4 6384 B10R1.212 CN(CCO)C(=O)C1CC1 527a_100000210263_100000210395 [0,1,0,1,0,0|2,0,0]=4 6385 B10R1.212 COCC(C)C(=O)C1CC1 1458a_100000210395_100000765312 [0,1,0,1,0,0|1,0,0]=3 6386 B10R1.212 COCC(C)C(=O)C1CO1 1458a_100000701028_100000765312 [0,1,0,1,0,0|2,0,0]=4 6387 B10R1.278 CC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000179758 [0,1,0,1,0,0|1,0,1]=4 6388 B10R1.278 CC(C)N(C)C(=O)C1CC1 11a_200000211004_100000210395 [0,1,0,1,0,0|2,0,0]=4 6389 B10R1.278 CC(C)N(C)C(=O)C1CC1 1626a_200000211004_100000210395 [0,1,0,1,0,0|2,0,0]=4 6390 B10R1.278 CC(C)N(C)C(=O)C1CC1 240690a_200000211004_100000210395 [0,1,0,1,0,0|2,0,0]=4 6391 B10R1.278 CC(C)N(C)C(=O)C1CC1 527a_200000211004_100000210395 [0,1,0,1,0,0|2,0,0]=4 6392 B10R1.400 CC1(C[C@@H]1C(=O)CCF)C 1458a_100000692687_100011217306 [0,1,0,1,0,0|2,0,0]=4 6393 B10R1.400 CC1(C[C@@H]1C(=O)CCO)C 1458a_100000692687_100000211926 [0,1,0,1,0,0|2,0,0]=4 6394 B10R1.400 CCCC(=O)C1CC1(F)F 1458a_100000042250_100000210303 [0,1,0,1,0,0|2,0,0]=4 6395 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,1,0,1,0,0|1,0,0]=3 6396 B10R1.400 CCNC(=O)C1CC1(F)F 11a_100015525214_100000042250 [0,1,0,1,0,0|2,0,0]=4 6397 B10R1.400 CCNC(=O)C1CC1(F)F 240690a_100015525214_100000042250 [0,1,0,1,0,0|2,0,0]=4 6398 B10R1.400 CCNC(=O)C1CC1(F)F 527a_100015525214_100000042250 [0,1,0,1,0,0|2,0,0]=4 6399 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 11a_100015525214_100000692687 [0,1,0,1,0,0|1,0,0]=3 6400 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 240690a_100015525214_100000692687 [0,1,0,1,0,0|1,0,0]=3 6401 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 527a_100015525214_100000692687 [0,1,0,1,0,0|1,0,0]=3 6402 B10R1.400 CNNC(=O)[C@H]1CC1(C)C 22a_100016993582_100000692687 [0,1,0,1,0,0|2,0,0]=4 6403 B10R1.14 CCC(C)c1nc(no1)C 270196a_100000212224_100011192722 [0,1,0,1,0,0|1,0,1]=4 6404 B10R1.14 CCC(C)c1noc(n1)C 270196a_100000752268_100000070787 [0,1,0,1,0,0|1,0,1]=4 6405 B10R1.15 CCC(C)N1CCCOC1 2230a_100000131196_100000758301 [0,1,0,1,0,0|2,0,0]=4 6406 B10R1.15 CCC(C)N1CCCOC1 269982a_100000131196_100000758301 [0,1,0,1,0,0|2,0,0]=4 6407 B10R1.15 CCC(C)N1CCCOC1 34a_100000131196_100011215416 [0,1,0,1,0,0|2,0,0]=4 6408 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|1,0,0]=3 6409 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 6410 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 6411 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|1,0,0]=3 6412 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|1,0,0]=3 6413 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|1,0,0]=3 6414 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|1,0,0]=3 6415 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|1,0,0]=3 6416 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|1,0,0]=3 6417 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 6418 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|1,0,0]=3 6419 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|1,0,0]=3 6420 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|1,0,0]=3 6421 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|1,0,0]=3 6422 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|1,0,0]=3 6423 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [0,1,0,1,0,0|1,0,1]=4 6424 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [0,1,0,1,0,0|1,0,1]=4 6425 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,1,0,1,0,0|1,0,1]=4 6426 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,1,0,1,0,0|1,0,1]=4 6427 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,1,0,1,0,0|1,0,1]=4 6428 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,1,0,1,0,0|1,0,1]=4 6429 B10R1.29 CCNN=C1CCCC1C 4a_100000756455_100000752053 [0,1,0,1,0,0|2,0,0]=4 6430 B10R1.29 CCOCN1CCC[C@@H]1C 269982a_100020605311_100000739092 [0,1,0,1,0,0|2,0,0]=4 6431 B10R1.29 CCOCN1CCC[C@H]1C 269982a_100015189458_100000739092 [0,1,0,1,0,0|2,0,0]=4 6432 B10R1.29 CSCOC1CCCC1C 34a_100011216460_100011218213 [0,1,0,1,0,0|1,0,1]=4 6433 B10R1.119 CC1C(=O)N(CCN1C)C 2230a_100000708691_200000210301 [0,1,0,1,0,0|2,0,0]=4 6434 B10R1.119 CC1C(=O)N(CCN1C)C 269982a_100000708691_200000210301 [0,1,0,1,0,0|2,0,0]=4 6435 B10R1.119 CC1C(=O)N(CCN1C)C 34a_100000708691_200000210301 [0,1,0,1,0,0|2,0,0]=4 6436 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 2230a_100000708691_200025704644 [0,1,0,1,0,0|2,0,0]=4 6437 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 269982a_100000708691_200025704644 [0,1,0,1,0,0|2,0,0]=4 6438 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 34a_100000708691_200025704644 [0,1,0,1,0,0|2,0,0]=4 6439 B10R1.176 CCN1CCN(C(=O)C1)C 2230a_100000187256_100000210202 [0,1,0,1,0,0|2,0,0]=4 6440 B10R1.176 CCN1CCN(C(=O)C1)C 269982a_100000187256_100000204670 [0,1,0,1,0,0|2,0,0]=4 6441 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6442 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6443 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6444 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6445 B10R1.178 C#CCCC(=O)C1CCC1 1458a_100000209988_100000753159 [0,1,0,1,0,0|1,0,1]=4 6446 B10R1.178 C#CCCC(=O)C1CCC1 1458a_100000692101_100000749161 [0,1,0,1,0,0|1,0,1]=4 6447 B10R1.178 C#CCNC(=O)C1CCC1 11a_100000212058_100000209988 [0,1,0,1,0,0|1,0,1]=4 6448 B10R1.178 C#CCNC(=O)C1CCC1 1626a_100000212058_100000209988 [0,1,0,1,0,0|1,0,1]=4 6449 B10R1.178 C#CCNC(=O)C1CCC1 240690a_100000212058_100000209988 [0,1,0,1,0,0|1,0,1]=4 6450 B10R1.178 C#CCNC(=O)C1CCC1 527a_100000212058_100000209988 [0,1,0,1,0,0|1,0,1]=4 6451 B10R1.178 C/C=C/CC(=O)C1CCC1 1458a_100000209988_100102629194 [0,1,0,1,0,0|1,0,1]=4 6452 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000209988_100000754431 [0,1,0,1,0,0|1,0,1]=4 6453 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000749702_100000749161 [0,1,0,1,0,0|1,0,1]=4 6454 B10R1.178 C=CCNC(=O)C1CCC1 1626a_100020586998_100000209988 [0,1,0,1,0,0|1,0,1]=4 6455 B10R1.178 C=CCNC(=O)C1CCC1 240690a_100020586998_100000209988 [0,1,0,1,0,0|1,0,1]=4 6456 B10R1.178 C=CCNC(=O)C1CCC1 527a_100020586998_100000209988 [0,1,0,1,0,0|1,0,1]=4 6457 B10R1.178 CC#CCC(=O)C1CCC1 1458a_100000209988_100000748600 [0,1,0,1,0,0|1,0,1]=4 6458 B10R1.178 CC(OCCF)C1CCC1 34a_100000766398_100011217306 [0,1,0,1,0,0|1,0,1]=4 6459 B10R1.178 CC(OCCF)C1CCC1 7a_100000766398_100011217306 [0,1,0,1,0,0|1,0,1]=4 6460 B10R1.178 CC(OCCO)C1CCC1 34a_100000766398_100000211926 [0,1,0,1,0,0|1,0,1]=4 6461 B10R1.178 CC(OCCO)C1CCC1 7a_100000766398_100000211926 [0,1,0,1,0,0|1,0,1]=4 6462 B10R1.178 CC=CCC(=O)C1CCC1 1458a_100000209988_100000070051 [0,1,0,1,0,0|1,0,1]=4 6463 B10R1.178 CC=CCC(=O)C1CCC1 1458a_100121576822_100000749161 [0,1,0,1,0,0|1,0,1]=4 6464 B10R1.178 CC=NNC(=O)C1CCC1 4a_100000186373_200000210099 [0,1,0,1,0,0|1,0,1]=4 6465 B10R1.178 CCC#CC(=O)C1CCC1 1458a_100011827653_100000749161 [0,1,0,1,0,0|1,0,0]=3 6466 B10R1.178 CCC#CC(=O)C1COC1 1458a_100011827653_100000687716 [0,1,0,1,0,0|2,0,0]=4 6467 B10R1.178 CCC=CC(=O)C1CCC1 1458a_100000212282_100000749161 [0,1,0,1,0,0|1,0,0]=3 6468 B10R1.178 CCC=CC(=O)C1COC1 1458a_100000212282_100000687716 [0,1,0,1,0,0|2,0,0]=4 6469 B10R1.178 CCC=CC(=O)N1CCC1 11a_100000754969_100000212282 [0,1,0,1,0,0|2,0,0]=4 6470 B10R1.178 CCC=CC(=O)N1CCC1 240690a_100000754969_100000212282 [0,1,0,1,0,0|2,0,0]=4 6471 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000209988_100000210211 [0,1,0,1,0,0|1,0,0]=3 6472 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000210183_100000749161 [0,1,0,1,0,0|1,0,0]=3 6473 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,1,0,1,0,0|2,0,0]=4 6474 B10R1.178 CCCCC(=O)C1COC1 1458a_100000210183_100000687716 [0,1,0,1,0,0|2,0,0]=4 6475 B10R1.178 CCCCC(=O)C1COC1 1458a_100000758290_100000210211 [0,1,0,1,0,0|2,0,0]=4 6476 B10R1.178 CCCCC(=O)N1CCC1 11a_100000754969_100000210183 [0,1,0,1,0,0|2,0,0]=4 6477 B10R1.178 CCCCC(=O)N1CCC1 240690a_100000754969_100000210183 [0,1,0,1,0,0|2,0,0]=4 6478 B10R1.178 CCCCC(=O)N1CCC1 527a_100000754969_100000210183 [0,1,0,1,0,0|2,0,0]=4 6479 B10R1.178 CCCNC(=O)C1CCC1 11a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 6480 B10R1.178 CCCNC(=O)C1CCC1 1626a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 6481 B10R1.178 CCCNC(=O)C1CCC1 240690a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 6482 B10R1.178 CCCNC(=O)C1CCC1 527a_100020643023_100000209988 [0,1,0,1,0,0|1,0,0]=3 6483 B10R1.178 CCCNC(=O)C1CCO1 11a_100020643023_100000089072 [0,1,0,1,0,0|2,0,0]=4 6484 B10R1.178 CCCNC(=O)C1CCO1 1626a_100020643023_100000089072 [0,1,0,1,0,0|2,0,0]=4 6485 B10R1.178 CCCNC(=O)C1CCO1 240690a_100020643023_100000089072 [0,1,0,1,0,0|2,0,0]=4 6486 B10R1.178 CCCNC(=O)C1CCO1 527a_100020643023_100000089072 [0,1,0,1,0,0|2,0,0]=4 6487 B10R1.178 CCCNC(=O)C1COC1 11a_100020643023_100000758290 [0,1,0,1,0,0|2,0,0]=4 6488 B10R1.178 CCCNC(=O)C1COC1 1626a_100020643023_100000758290 [0,1,0,1,0,0|2,0,0]=4 6489 B10R1.178 CCCNC(=O)C1COC1 240690a_100020643023_100000758290 [0,1,0,1,0,0|2,0,0]=4 6490 B10R1.178 CCCNC(=O)C1COC1 527a_100020643023_100000758290 [0,1,0,1,0,0|2,0,0]=4 6491 B10R1.178 CCCNC(=O)N1CCC1 2708a_100020643023_100000754969 [0,1,0,1,0,0|2,0,0]=4 6492 B10R1.178 CCCNC(=O)N1CCC1 273464a_100020643023_100000754969 [0,1,0,1,0,0|2,0,0]=4 6493 B10R1.178 CCCOC(C)C1CCC1 34a_100000766398_100000210303 [0,1,0,1,0,0|1,0,1]=4 6494 B10R1.178 CCCOC(C)C1CCC1 7a_100000766398_100000210303 [0,1,0,1,0,0|1,0,1]=4 6495 B10R1.178 CCNCC(=O)C1CCC1 2230a_100015525214_100000686122 [0,1,0,1,0,0|1,0,0]=3 6496 B10R1.178 CCNCC(=O)N1CCC1 2230a_100015525214_100000185095 [0,1,0,1,0,0|2,0,0]=4 6497 B10R1.178 CCNN=C(C)C1CCC1 4a_100000756455_100000760154 [0,1,0,1,0,0|2,0,0]=4 6498 B10R1.178 CCNNC(=O)C1CCC1 22a_100000756455_100000209988 [0,1,0,1,0,0|1,0,0]=3 6499 B10R1.178 CCNNC(=O)C1CCO1 22a_100000756455_100000089072 [0,1,0,1,0,0|2,0,0]=4 6500 B10R1.178 CCNNC(=O)C1COC1 22a_100000756455_100000758290 [0,1,0,1,0,0|2,0,0]=4 6501 B10R1.178 CCOCC(=O)C1CCC1 1458a_100000211967_100000749161 [0,1,0,1,0,0|0,0,0]=2 6502 B10R1.178 CCOCC(=O)C1CCC1 34a_100121572206_100000686122 [0,1,0,1,0,0|0,0,0]=2 6503 B10R1.178 CCOCC(=O)C1COC1 1458a_100000211967_100000687716 [0,1,0,1,0,0|1,0,0]=3 6504 B10R1.178 CCOCC(=O)N1CCC1 11a_100000754969_100000211967 [0,1,0,1,0,0|1,0,0]=3 6505 B10R1.178 CCOCC(=O)N1CCC1 240690a_100000754969_100000211967 [0,1,0,1,0,0|1,0,0]=3 6506 B10R1.178 CCOCC(=O)N1CCC1 34a_100121572206_100000185095 [0,1,0,1,0,0|1,0,0]=3 6507 B10R1.178 CCOCC(=O)N1CCC1 527a_100000754969_100000211967 [0,1,0,1,0,0|1,0,0]=3 6508 B10R1.178 CCOCN(C)C1CCC1 269982a_100000758072_100000739092 [0,1,0,1,0,0|2,0,0]=4 6509 B10R1.178 CCSCC(=O)C1CCC1 1458a_100000230394_100000749161 [0,1,0,1,0,0|0,1,0]=3 6510 B10R1.178 CCSCC(=O)C1CCC1 62a_100000210202_100000686122 [0,1,0,1,0,0|0,1,0]=3 6511 B10R1.178 CCSCC(=O)C1CCC1 62a_100000686122_100000210202 [0,1,0,1,0,0|0,1,0]=3 6512 B10R1.178 CCSCC(=O)C1COC1 1458a_100000230394_100000687716 [0,1,0,1,0,0|1,1,0]=4 6513 B10R1.178 CCSCC(=O)N1CCC1 11a_100000754969_100000230394 [0,1,0,1,0,0|1,1,0]=4 6514 B10R1.178 CCSCC(=O)N1CCC1 240690a_100000754969_100000230394 [0,1,0,1,0,0|1,1,0]=4 6515 B10R1.178 CCSCC(=O)N1CCC1 527a_100000754969_100000230394 [0,1,0,1,0,0|1,1,0]=4 6516 B10R1.178 CCSCC(=O)N1CCC1 62a_100000185095_100000210202 [0,1,0,1,0,0|1,1,0]=4 6517 B10R1.178 CCSCC(=O)N1CCC1 62a_100000210202_100000185095 [0,1,0,1,0,0|1,1,0]=4 6518 B10R1.178 COC=CC(=O)C1CCC1 1458a_100016268678_100000749161 [0,1,0,1,0,0|1,0,1]=4 6519 B10R1.178 COCCC(=O)C1CCC1 1458a_100000209988_100000233755 [0,1,0,1,0,0|1,0,0]=3 6520 B10R1.178 COCCC(=O)C1CCC1 1458a_100000749529_100000749161 [0,1,0,1,0,0|1,0,0]=3 6521 B10R1.178 COCCC(=O)C1CCO1 1458a_100000089072_100000233755 [0,1,0,1,0,0|2,0,0]=4 6522 B10R1.178 COCCC(=O)C1COC1 1458a_100000749529_100000687716 [0,1,0,1,0,0|2,0,0]=4 6523 B10R1.178 COCCC(=O)C1COC1 1458a_100000758290_100000233755 [0,1,0,1,0,0|2,0,0]=4 6524 B10R1.178 COCCC(=O)N1CCC1 11a_100000754969_100000749529 [0,1,0,1,0,0|2,0,0]=4 6525 B10R1.178 COCCC(=O)N1CCC1 240690a_100000754969_100000749529 [0,1,0,1,0,0|2,0,0]=4 6526 B10R1.178 COCCC(=O)N1CCC1 527a_100000754969_100000749529 [0,1,0,1,0,0|2,0,0]=4 6527 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000174002_100000749161 [0,1,0,1,0,0|1,0,0]=3 6528 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000209988_100000751147 [0,1,0,1,0,0|1,0,0]=3 6529 B10R1.178 CSCCC(=O)C1CCO1 1458a_100000089072_100000751147 [0,1,0,1,0,0|2,0,0]=4 6530 B10R1.178 CSCCC(=O)C1COC1 1458a_100000174002_100000687716 [0,1,0,1,0,0|2,0,0]=4 6531 B10R1.178 CSCCC(=O)C1COC1 1458a_100000758290_100000751147 [0,1,0,1,0,0|2,0,0]=4 6532 B10R1.178 CSCCC(=O)N1CCC1 11a_100000754969_100000174002 [0,1,0,1,0,0|2,0,0]=4 6533 B10R1.178 CSCCC(=O)N1CCC1 240690a_100000754969_100000174002 [0,1,0,1,0,0|2,0,0]=4 6534 B10R1.178 CSCCC(=O)N1CCC1 527a_100000754969_100000174002 [0,1,0,1,0,0|2,0,0]=4 6535 B10R1.178 CSCOC(C)C1CCC1 34a_100000766398_100011218213 [0,1,0,1,0,0|1,0,1]=4 6536 B10R1.178 N#CCCC(=O)C1CCC1 1458a_100000209988_100011215226 [0,1,0,1,0,0|1,0,1]=4 6537 B10R1.178 N#CCCC(=O)C1CCC1 1458a_100011934036_100000749161 [0,1,0,1,0,0|1,0,1]=4 6538 B10R1.178 N#CCNC(=O)C1CCC1 1626a_100000734998_100000209988 [0,1,0,1,0,0|1,0,1]=4 6539 B10R1.178 N#CCNC(=O)C1CCC1 527a_100000734998_100000209988 [0,1,0,1,0,0|1,0,1]=4 6540 B10R1.178 O=C(C#CCO)C1CCC1 1458a_100000049017_100000749161 [0,1,0,1,0,0|1,0,1]=4 6541 B10R1.178 O=C(CCCF)C1CCC1 1458a_100000209988_100011934791 [0,1,0,1,0,0|1,0,0]=3 6542 B10R1.178 O=C(CCCF)C1CCO1 1458a_100000089072_100011934791 [0,1,0,1,0,0|2,0,0]=4 6543 B10R1.178 O=C(CCCF)C1COC1 1458a_100000758290_100011934791 [0,1,0,1,0,0|2,0,0]=4 6544 B10R1.178 O=C(CCCO)C1CCC1 1458a_100000209988_100011215043 [0,1,0,1,0,0|1,0,0]=3 6545 B10R1.178 O=C(CCCO)C1CCO1 1458a_100000089072_100011215043 [0,1,0,1,0,0|2,0,0]=4 6546 B10R1.178 O=C(CCCO)C1COC1 1458a_100000758290_100011215043 [0,1,0,1,0,0|2,0,0]=4 6547 B10R1.178 O=C(CSCF)C1CCC1 62a_100000686122_100015361967 [0,1,0,1,0,0|1,1,0]=4 6548 B10R1.178 O=C(CSCF)C1CCC1 62a_100015361967_100000686122 [0,1,0,1,0,0|1,1,0]=4 6549 B10R1.178 O=C(NCCF)C1CCC1 11a_100000724931_100000209988 [0,1,0,1,0,0|1,0,0]=3 6550 B10R1.178 O=C(NCCF)C1CCC1 1626a_100000724931_100000209988 [0,1,0,1,0,0|1,0,0]=3 6551 B10R1.178 O=C(NCCF)C1CCC1 240690a_100000724931_100000209988 [0,1,0,1,0,0|1,0,0]=3 6552 B10R1.178 O=C(NCCF)C1CCC1 527a_100000724931_100000209988 [0,1,0,1,0,0|1,0,0]=3 6553 B10R1.178 O=C(NCCF)C1CCO1 11a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 6554 B10R1.178 O=C(NCCF)C1CCO1 1626a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 6555 B10R1.178 O=C(NCCF)C1CCO1 240690a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 6556 B10R1.178 O=C(NCCF)C1CCO1 527a_100000724931_100000089072 [0,1,0,1,0,0|2,0,0]=4 6557 B10R1.178 O=C(NCCF)C1COC1 11a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 6558 B10R1.178 O=C(NCCF)C1COC1 1626a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 6559 B10R1.178 O=C(NCCF)C1COC1 240690a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 6560 B10R1.178 O=C(NCCF)C1COC1 527a_100000724931_100000758290 [0,1,0,1,0,0|2,0,0]=4 6561 B10R1.178 O=C(NCCF)N1CCC1 273464a_100000724931_100000754969 [0,1,0,1,0,0|2,0,0]=4 6562 B10R1.178 O=C(NCCO)C1CCC1 240690a_100000210304_100000209988 [0,1,0,1,0,0|1,0,0]=3 6563 B10R1.178 O=C(NCCO)C1CCC1 527a_100000210304_100000209988 [0,1,0,1,0,0|1,0,0]=3 6564 B10R1.178 O=C(NCCO)C1CCO1 240690a_100000210304_100000089072 [0,1,0,1,0,0|2,0,0]=4 6565 B10R1.178 O=C(NCCO)C1CCO1 527a_100000210304_100000089072 [0,1,0,1,0,0|2,0,0]=4 6566 B10R1.178 O=C(NCCO)C1COC1 240690a_100000210304_100000758290 [0,1,0,1,0,0|2,0,0]=4 6567 B10R1.178 O=C(NCCO)C1COC1 527a_100000210304_100000758290 [0,1,0,1,0,0|2,0,0]=4 6568 B10R1.178 O=C(NCCO)N1CCC1 273464a_100000210304_100000754969 [0,1,0,1,0,0|2,0,0]=4 6569 B10R1.179 C#CCCC(=O)C1(CC1)C 1458a_100000756474_100000753159 [0,1,0,1,0,0|1,0,1]=4 6570 B10R1.179 C#CCNC(=O)C1(CC1)C 11a_100000212058_100000756474 [0,1,0,1,0,0|1,0,1]=4 6571 B10R1.179 C#CCNC(=O)C1(CC1)C 1626a_100000212058_100000756474 [0,1,0,1,0,0|1,0,1]=4 6572 B10R1.179 C#CCNC(=O)C1(CC1)C 240690a_100000212058_100000756474 [0,1,0,1,0,0|1,0,1]=4 6573 B10R1.179 C#CCNC(=O)C1(CC1)C 527a_100000212058_100000756474 [0,1,0,1,0,0|1,0,1]=4 6574 B10R1.179 C/C=C/CC(=O)C1(CC1)C 1458a_100000756474_100102629194 [0,1,0,1,0,0|1,0,1]=4 6575 B10R1.179 C=CCCC(=O)C1(CC1)C 1458a_100000756474_100000754431 [0,1,0,1,0,0|1,0,1]=4 6576 B10R1.179 C=CCNC(=O)C1(CC1)C 1626a_100020586998_100000756474 [0,1,0,1,0,0|1,0,1]=4 6577 B10R1.179 C=CCNC(=O)C1(CC1)C 240690a_100020586998_100000756474 [0,1,0,1,0,0|1,0,1]=4 6578 B10R1.179 C=CCNC(=O)C1(CC1)C 527a_100020586998_100000756474 [0,1,0,1,0,0|1,0,1]=4 6579 B10R1.179 CC#CCC(=O)C1(CC1)C 1458a_100000756474_100000748600 [0,1,0,1,0,0|1,0,1]=4 6580 B10R1.179 CC1(CC1)C(=O)CCC#N 1458a_100000756474_100011215226 [0,1,0,1,0,0|1,0,1]=4 6581 B10R1.179 CC1(CC1)C(=O)CCCF 1458a_100000756474_100011934791 [0,1,0,1,0,0|1,0,0]=3 6582 B10R1.179 CC1(CC1)C(=O)CCCO 1458a_100000756474_100011215043 [0,1,0,1,0,0|1,0,0]=3 6583 B10R1.179 CC1(CC1)C(=O)NCC#N 1626a_100000734998_100000756474 [0,1,0,1,0,0|1,0,1]=4 6584 B10R1.179 CC1(CC1)C(=O)NCC#N 527a_100000734998_100000756474 [0,1,0,1,0,0|1,0,1]=4 6585 B10R1.179 CC1(CC1)C(=O)NCCF 11a_100000724931_100000756474 [0,1,0,1,0,0|1,0,0]=3 6586 B10R1.179 CC1(CC1)C(=O)NCCF 1626a_100000724931_100000756474 [0,1,0,1,0,0|1,0,0]=3 6587 B10R1.179 CC1(CC1)C(=O)NCCF 240690a_100000724931_100000756474 [0,1,0,1,0,0|1,0,0]=3 6588 B10R1.179 CC1(CC1)C(=O)NCCF 527a_100000724931_100000756474 [0,1,0,1,0,0|1,0,0]=3 6589 B10R1.179 CC1(CC1)C(=O)NCCO 240690a_100000210304_100000756474 [0,1,0,1,0,0|1,0,0]=3 6590 B10R1.179 CC1(CC1)C(=O)NCCO 527a_100000210304_100000756474 [0,1,0,1,0,0|1,0,0]=3 6591 B10R1.179 CC=CCC(=O)C1(CC1)C 1458a_100000756474_100000070051 [0,1,0,1,0,0|1,0,1]=4 6592 B10R1.179 CC=NNC(=O)C1(CC1)C 4a_100011998622_200000210099 [0,1,0,1,0,0|1,0,1]=4 6593 B10R1.179 CCCCC(=O)C1(CC1)C 1458a_100000756474_100000210211 [0,1,0,1,0,0|1,0,0]=3 6594 B10R1.179 CCCCC(=O)C1(CC1)F 1458a_100000055089_100000210211 [0,1,0,1,0,0|2,0,0]=4 6595 B10R1.179 CCCCC(=O)C1(CC1)O 1458a_100000241761_100000210211 [0,1,0,1,0,0|2,0,0]=4 6596 B10R1.179 CCCNC(=O)C1(CC1)C 11a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 6597 B10R1.179 CCCNC(=O)C1(CC1)C 1626a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 6598 B10R1.179 CCCNC(=O)C1(CC1)C 240690a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 6599 B10R1.179 CCCNC(=O)C1(CC1)C 527a_100020643023_100000756474 [0,1,0,1,0,0|1,0,0]=3 6600 B10R1.179 CCCNC(=O)C1(CC1)F 11a_100020643023_100000055089 [0,1,0,1,0,0|2,0,0]=4 6601 B10R1.179 CCCNC(=O)C1(CC1)F 1626a_100020643023_100000055089 [0,1,0,1,0,0|2,0,0]=4 6602 B10R1.179 CCCNC(=O)C1(CC1)F 240690a_100020643023_100000055089 [0,1,0,1,0,0|2,0,0]=4 6603 B10R1.179 CCCNC(=O)C1(CC1)F 527a_100020643023_100000055089 [0,1,0,1,0,0|2,0,0]=4 6604 B10R1.179 CCCNC(=O)C1(CC1)O 240690a_100020643023_100000241761 [0,1,0,1,0,0|2,0,0]=4 6605 B10R1.179 CCNN=C(C)C1(CC1)C 4a_100000756455_100000184723 [0,1,0,1,0,0|2,0,0]=4 6606 B10R1.179 CCNNC(=O)C1(CC1)C 22a_100000756455_100000756474 [0,1,0,1,0,0|1,0,0]=3 6607 B10R1.179 CCNNC(=O)C1(CC1)F 22a_100000756455_100000055089 [0,1,0,1,0,0|2,0,0]=4 6608 B10R1.179 CCNNC(=O)C1(CC1)O 22a_100000756455_100000241761 [0,1,0,1,0,0|2,0,0]=4 6609 B10R1.179 COCCC(=O)C1(CC1)C 1458a_100000756474_100000233755 [0,1,0,1,0,0|1,0,0]=3 6610 B10R1.179 COCCC(=O)C1(CC1)F 1458a_100000055089_100000233755 [0,1,0,1,0,0|2,0,0]=4 6611 B10R1.179 COCCC(=O)C1(CC1)O 1458a_100000241761_100000233755 [0,1,0,1,0,0|2,0,0]=4 6612 B10R1.179 CSCCC(=O)C1(CC1)C 1458a_100000756474_100000751147 [0,1,0,1,0,0|1,0,0]=3 6613 B10R1.179 CSCCC(=O)C1(CC1)F 1458a_100000055089_100000751147 [0,1,0,1,0,0|2,0,0]=4 6614 B10R1.179 CSCCC(=O)C1(CC1)O 1458a_100000241761_100000751147 [0,1,0,1,0,0|2,0,0]=4 6615 B10R1.179 O=C(CCCF)C1(CC1)F 1458a_100000055089_100011934791 [0,1,0,1,0,0|2,0,0]=4 6616 B10R1.179 O=C(CCCF)C1(CC1)O 1458a_100000241761_100011934791 [0,1,0,1,0,0|2,0,0]=4 6617 B10R1.179 O=C(CCCO)C1(CC1)F 1458a_100000055089_100011215043 [0,1,0,1,0,0|2,0,0]=4 6618 B10R1.179 O=C(CCCO)C1(CC1)O 1458a_100000241761_100011215043 [0,1,0,1,0,0|2,0,0]=4 6619 B10R1.179 O=C(NCCF)C1(CC1)F 11a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 6620 B10R1.179 O=C(NCCF)C1(CC1)F 1626a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 6621 B10R1.179 O=C(NCCF)C1(CC1)F 240690a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 6622 B10R1.179 O=C(NCCF)C1(CC1)F 527a_100000724931_100000055089 [0,1,0,1,0,0|2,0,0]=4 6623 B10R1.179 O=C(NCCF)C1(CC1)O 240690a_100000724931_100000241761 [0,1,0,1,0,0|2,0,0]=4 6624 B10R1.179 O=C(NCCO)C1(CC1)F 240690a_100000210304_100000055089 [0,1,0,1,0,0|2,0,0]=4 6625 B10R1.179 O=C(NCCO)C1(CC1)F 527a_100000210304_100000055089 [0,1,0,1,0,0|2,0,0]=4 6626 B10R1.179 O=C(NCCO)C1(CC1)O 240690a_100000210304_100000241761 [0,1,0,1,0,0|2,0,0]=4 6627 B10R1.182 C#CC(C)C(=O)C1CCO1 1458a_100000089072_200000035995 [0,1,0,1,0,0|0,0,2]=4 6628 B10R1.182 C/C=C(\C)/C(=O)C1CCC1 1458a_100020587367_100000749161 [0,1,0,1,0,0|1,0,1]=4 6629 B10R1.182 CC(C#N)C(=O)C1CCO1 1458a_100000089072_100000703298 [0,1,0,1,0,0|1,0,1]=4 6630 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100000209988_100000758301 [0,1,0,1,0,0|1,0,0]=3 6631 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100011192722_100000749161 [0,1,0,1,0,0|1,0,0]=3 6632 B10R1.182 CCC(C)C(=O)C1CCO1 1458a_100000089072_100000758301 [0,1,0,1,0,0|0,0,0]=2 6633 B10R1.182 CCC(C)C(=O)C1COC1 1458a_100000758290_100000758301 [0,1,0,1,0,0|1,0,0]=3 6634 B10R1.182 CCC(C)C(=O)C1COC1 1458a_100011192722_100000687716 [0,1,0,1,0,0|1,0,0]=3 6635 B10R1.182 CCC(C)C(=O)N1CCC1 11a_100000754969_100011192722 [0,1,0,1,0,0|1,0,0]=3 6636 B10R1.182 CCC(C)C(=O)N1CCC1 240690a_100000754969_100011192722 [0,1,0,1,0,0|1,0,0]=3 6637 B10R1.182 CCC(C)C(=O)N1CCC1 527a_100000754969_100011192722 [0,1,0,1,0,0|1,0,0]=3 6638 B10R1.182 CCC(O)C(=O)C1CCC1 1458a_100011196387_100000749161 [0,1,0,1,0,0|1,0,0]=3 6639 B10R1.182 CCC(O)C(=O)C1COC1 1458a_100011196387_100000687716 [0,1,0,1,0,0|2,0,0]=4 6640 B10R1.182 CCC(O)C(=O)N1CCC1 240690a_100000754969_100011196387 [0,1,0,1,0,0|2,0,0]=4 6641 B10R1.182 CCN(C)C(=O)C1CCC1 11a_100000225621_100000209988 [0,1,0,1,0,0|1,0,0]=3 6642 B10R1.182 CCN(C)C(=O)C1CCC1 1626a_100000225621_100000209988 [0,1,0,1,0,0|1,0,0]=3 6643 B10R1.182 CCN(C)C(=O)C1CCC1 240690a_100000225621_100000209988 [0,1,0,1,0,0|1,0,0]=3 6644 B10R1.182 CCN(C)C(=O)C1CCC1 527a_100000225621_100000209988 [0,1,0,1,0,0|1,0,0]=3 6645 B10R1.182 CCN(C)C(=O)C1CCO1 11a_100000225621_100000089072 [0,1,0,1,0,0|1,0,0]=3 6646 B10R1.182 CCN(C)C(=O)C1CCO1 1626a_100000225621_100000089072 [0,1,0,1,0,0|1,0,0]=3 6647 B10R1.182 CCN(C)C(=O)C1CCO1 240690a_100000225621_100000089072 [0,1,0,1,0,0|1,0,0]=3 6648 B10R1.182 CCN(C)C(=O)C1CCO1 527a_100000225621_100000089072 [0,1,0,1,0,0|1,0,0]=3 6649 B10R1.182 CCN(C)C(=O)C1COC1 11a_100000225621_100000758290 [0,1,0,1,0,0|2,0,0]=4 6650 B10R1.182 CCN(C)C(=O)C1COC1 1626a_100000225621_100000758290 [0,1,0,1,0,0|2,0,0]=4 6651 B10R1.182 CCN(C)C(=O)C1COC1 240690a_100000225621_100000758290 [0,1,0,1,0,0|2,0,0]=4 6652 B10R1.182 CCN(C)C(=O)C1COC1 527a_100000225621_100000758290 [0,1,0,1,0,0|2,0,0]=4 6653 B10R1.182 CNC(=O)C(=O)C1CCC1 1458a_100011218921_100000749161 [0,1,0,1,0,0|2,0,0]=4 6654 B10R1.182 COC(C)C(=O)C1CCC1 1458a_100000743197_100000749161 [0,1,0,1,0,0|2,0,0]=4 6655 B10R1.182 COC(C)C(=O)C1COC1 1458a_100000743197_100000687716 [0,1,0,1,0,0|2,0,0]=4 6656 B10R1.182 COC(C)C(=O)N1CCC1 11a_100000754969_100000743197 [0,1,0,1,0,0|2,0,0]=4 6657 B10R1.182 COC(C)C(=O)N1CCC1 240690a_100000754969_100000743197 [0,1,0,1,0,0|2,0,0]=4 6658 B10R1.182 COC(C)C(=O)N1CCC1 527a_100000754969_100000743197 [0,1,0,1,0,0|2,0,0]=4 6659 B10R1.182 CSC(C)C(=O)C1CCC1 1458a_100000149566_100000749161 [0,1,0,1,0,0|2,0,0]=4 6660 B10R1.182 CSC(C)C(=O)C1COC1 1458a_100000149566_100000687716 [0,1,0,1,0,0|2,0,0]=4 6661 B10R1.182 CSC(C)C(=O)N1CCC1 11a_100000754969_100000149566 [0,1,0,1,0,0|2,0,0]=4 6662 B10R1.182 CSC(C)C(=O)N1CCC1 240690a_100000754969_100000149566 [0,1,0,1,0,0|2,0,0]=4 6663 B10R1.182 CSC(C)C(=O)N1CCC1 527a_100000754969_100000149566 [0,1,0,1,0,0|2,0,0]=4 6664 B10R1.182 O=C(C(O)CO)C1CCC1 1458a_100011215603_100000749161 [0,1,0,1,0,0|2,0,0]=4 6665 B10R1.184 CC(S[13CH3])C(=O)NC1CC1 62a_100000179742_200025704644 [0,1,0,1,0,0|2,0,0]=4 6666 B10R1.184 CC(S[13CH3])C(=O)NC1CC1 62a_200025704644_100000179742 [0,1,0,1,0,0|2,0,0]=4 6667 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100000738066_100000758301 [0,1,0,1,0,0|1,0,0]=3 6668 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100011192722_100000742324 [0,1,0,1,0,0|1,0,0]=3 6669 B10R1.184 CCC(C)C(=O)CC1CO1 1458a_100011192722_100011216344 [0,1,0,1,0,0|1,0,0]=3 6670 B10R1.184 CCC(C)C(=O)CC1CS1 1458a_100011192722_100000031435 [0,1,0,1,0,0|1,0,0]=3 6671 B10R1.184 CCC(C)C(=O)C[C@@H]1CO1 1458a_100011192722_100000745022 [0,1,0,1,0,0|1,0,0]=3 6672 B10R1.184 CCC(C)C(=O)NC1CC1 1626a_100000212008_100011192722 [0,1,0,1,0,0|1,0,0]=3 6673 B10R1.184 CCC(C)C(=O)NC1CC1 240690a_100000212008_100011192722 [0,1,0,1,0,0|1,0,0]=3 6674 B10R1.184 CCC(C)C(=O)NC1CC1 527a_100000212008_100011192722 [0,1,0,1,0,0|1,0,0]=3 6675 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|2,0,0]=4 6676 B10R1.184 CCC(O)C(=O)CC1CO1 1458a_100011196387_100011216344 [0,1,0,1,0,0|2,0,0]=4 6677 B10R1.184 CCC(O)C(=O)CC1CS1 1458a_100011196387_100000031435 [0,1,0,1,0,0|2,0,0]=4 6678 B10R1.184 CCC(O)C(=O)C[C@@H]1CO1 1458a_100011196387_100000745022 [0,1,0,1,0,0|2,0,0]=4 6679 B10R1.184 CCC(O)C(=O)NC1CC1 240690a_100000212008_100011196387 [0,1,0,1,0,0|2,0,0]=4 6680 B10R1.184 CCN(C)C(=O)CC1CC1 11a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 6681 B10R1.184 CCN(C)C(=O)CC1CC1 1626a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 6682 B10R1.184 CCN(C)C(=O)CC1CC1 240690a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 6683 B10R1.184 CCN(C)C(=O)CC1CC1 527a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 6684 B10R1.184 CCN(C)C(=O)NC1CC1 2708a_100000212008_100000225621 [0,1,0,1,0,0|2,0,0]=4 6685 B10R1.184 CCN(C)C(=O)NC1CC1 273464a_100000212008_100000225621 [0,1,0,1,0,0|2,0,0]=4 6686 B10R1.184 CNC(C)C(=O)NC1CC1 2230a_106832991635_100000179742 [0,1,0,1,0,0|2,0,0]=4 6687 B10R1.184 CNC(C)C(=O)NC1CC1 34a_100102657272_100000179742 [0,1,0,1,0,0|2,0,0]=4 6688 B10R1.184 CNC(C)C(=O)NC1CC1 7a_106832991635_100000179742 [0,1,0,1,0,0|2,0,0]=4 6689 B10R1.184 COC(C)C(=O)CC1CC1 1458a_100000743197_100000742324 [0,1,0,1,0,0|2,0,0]=4 6690 B10R1.184 COC(C)C(=O)CC1CO1 1458a_100000743197_100011216344 [0,1,0,1,0,0|2,0,0]=4 6691 B10R1.184 COC(C)C(=O)CC1CS1 1458a_100000743197_100000031435 [0,1,0,1,0,0|2,0,0]=4 6692 B10R1.184 COC(C)C(=O)C[C@@H]1CO1 1458a_100000743197_100000745022 [0,1,0,1,0,0|2,0,0]=4 6693 B10R1.184 COC(C)C(=O)NC1CC1 1626a_100000212008_100000743197 [0,1,0,1,0,0|2,0,0]=4 6694 B10R1.184 COC(C)C(=O)NC1CC1 240690a_100000212008_100000743197 [0,1,0,1,0,0|2,0,0]=4 6695 B10R1.184 COC(C)C(=O)NC1CC1 34a_100138415774_100000179742 [0,1,0,1,0,0|2,0,0]=4 6696 B10R1.184 COC(C)C(=O)NC1CC1 527a_100000212008_100000743197 [0,1,0,1,0,0|2,0,0]=4 6697 B10R1.184 CSC(C)C(=O)CC1CC1 1458a_100000149566_100000742324 [0,1,0,1,0,0|2,0,0]=4 6698 B10R1.184 CSC(C)C(=O)CC1CO1 1458a_100000149566_100011216344 [0,1,0,1,0,0|2,0,0]=4 6699 B10R1.184 CSC(C)C(=O)CC1CS1 1458a_100000149566_100000031435 [0,1,0,1,0,0|2,0,0]=4 6700 B10R1.184 CSC(C)C(=O)C[C@@H]1CO1 1458a_100000149566_100000745022 [0,1,0,1,0,0|2,0,0]=4 6701 B10R1.184 CSC(C)C(=O)NC1CC1 1626a_100000212008_100000149566 [0,1,0,1,0,0|2,0,0]=4 6702 B10R1.184 CSC(C)C(=O)NC1CC1 240690a_100000212008_100000149566 [0,1,0,1,0,0|2,0,0]=4 6703 B10R1.184 CSC(C)C(=O)NC1CC1 527a_100000212008_100000149566 [0,1,0,1,0,0|2,0,0]=4 6704 B10R1.184 CSC(C)C(=O)NC1CC1 62a_100000179742_200000210301 [0,1,0,1,0,0|2,0,0]=4 6705 B10R1.184 CSC(C)C(=O)NC1CC1 62a_200000210301_100000179742 [0,1,0,1,0,0|2,0,0]=4 6706 B10R1.293 C#CCCC(=O)C1CC1C 1458a_100000211227_100000753159 [0,1,0,1,0,0|1,0,1]=4 6707 B10R1.293 C#CCNC(=O)C1CC1C 11a_100000212058_100000211227 [0,1,0,1,0,0|1,0,1]=4 6708 B10R1.293 C#CCNC(=O)C1CC1C 1626a_100000212058_100000211227 [0,1,0,1,0,0|1,0,1]=4 6709 B10R1.293 C#CCNC(=O)C1CC1C 527a_100000212058_100000211227 [0,1,0,1,0,0|1,0,1]=4 6710 B10R1.293 C/C=C/CC(=O)C1CC1C 1458a_100000211227_100102629194 [0,1,0,1,0,0|1,0,1]=4 6711 B10R1.293 C=CCCC(=O)C1CC1C 1458a_100000211227_100000754431 [0,1,0,1,0,0|1,0,1]=4 6712 B10R1.293 C=CCNC(=O)C1CC1C 1626a_100020586998_100000211227 [0,1,0,1,0,0|1,0,1]=4 6713 B10R1.293 C=CCNC(=O)C1CC1C 527a_100020586998_100000211227 [0,1,0,1,0,0|1,0,1]=4 6714 B10R1.293 CC#CCC(=O)C1CC1C 1458a_100000211227_100000748600 [0,1,0,1,0,0|1,0,1]=4 6715 B10R1.293 CC1CC1C(=O)CCC#N 1458a_100000211227_100011215226 [0,1,0,1,0,0|1,0,1]=4 6716 B10R1.293 CC1CC1C(=O)CCCF 1458a_100000211227_100011934791 [0,1,0,1,0,0|1,0,0]=3 6717 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [0,1,0,1,0,0|1,0,0]=3 6718 B10R1.293 CC1CC1C(=O)NCC#N 1626a_100000734998_100000211227 [0,1,0,1,0,0|1,0,1]=4 6719 B10R1.293 CC1CC1C(=O)NCC#N 527a_100000734998_100000211227 [0,1,0,1,0,0|1,0,1]=4 6720 B10R1.293 CC1CC1C(=O)NCCF 11a_100000724931_100000211227 [0,1,0,1,0,0|1,0,0]=3 6721 B10R1.293 CC1CC1C(=O)NCCF 1626a_100000724931_100000211227 [0,1,0,1,0,0|1,0,0]=3 6722 B10R1.293 CC1CC1C(=O)NCCF 527a_100000724931_100000211227 [0,1,0,1,0,0|1,0,0]=3 6723 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [0,1,0,1,0,0|1,0,0]=3 6724 B10R1.293 CC=CCC(=O)C1CC1C 1458a_100000211227_100000070051 [0,1,0,1,0,0|1,0,1]=4 6725 B10R1.293 CC=NNC(=O)C1CC1C 4a_100000189827_200000210099 [0,1,0,1,0,0|1,0,1]=4 6726 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,1,0,1,0,0|1,0,0]=3 6727 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [0,1,0,1,0,0|2,0,0]=4 6728 B10R1.293 CCCNC(=O)C1CC1C 11a_100020643023_100000211227 [0,1,0,1,0,0|1,0,0]=3 6729 B10R1.293 CCCNC(=O)C1CC1C 1626a_100020643023_100000211227 [0,1,0,1,0,0|1,0,0]=3 6730 B10R1.293 CCCNC(=O)C1CC1C 527a_100020643023_100000211227 [0,1,0,1,0,0|1,0,0]=3 6731 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 11a_100020643023_100015396687 [0,1,0,1,0,0|2,0,0]=4 6732 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020643023_100015396687 [0,1,0,1,0,0|2,0,0]=4 6733 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 527a_100020643023_100015396687 [0,1,0,1,0,0|2,0,0]=4 6734 B10R1.293 CCNNC(=O)C1CC1C 22a_100000756455_100000211227 [0,1,0,1,0,0|1,0,0]=3 6735 B10R1.293 CCNNC(=O)[C@@H]1C[C@@H]1F 22a_100000756455_100015396687 [0,1,0,1,0,0|2,0,0]=4 6736 B10R1.293 COCCC(=O)C1CC1C 1458a_100000211227_100000233755 [0,1,0,1,0,0|1,0,0]=3 6737 B10R1.293 COCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000233755 [0,1,0,1,0,0|2,0,0]=4 6738 B10R1.293 CSCCC(=O)C1CC1C 1458a_100000211227_100000751147 [0,1,0,1,0,0|1,0,0]=3 6739 B10R1.293 CSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000751147 [0,1,0,1,0,0|2,0,0]=4 6740 B10R1.293 O=C(CCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011934791 [0,1,0,1,0,0|2,0,0]=4 6741 B10R1.293 O=C(CCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215043 [0,1,0,1,0,0|2,0,0]=4 6742 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 11a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 6743 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 240690a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 6744 B10R1.293 O=C(NCCF)[C@@H]1C[C@@H]1F 527a_100000724931_100015396687 [0,1,0,1,0,0|2,0,0]=4 6745 B10R1.293 O=C(NCCO)[C@@H]1C[C@@H]1F 240690a_100000210304_100015396687 [0,1,0,1,0,0|2,0,0]=4 6746 B10R1.293 O=C(NCCO)[C@@H]1C[C@@H]1F 527a_100000210304_100015396687 [0,1,0,1,0,0|2,0,0]=4 6747 B10R1.332 CN1CCC(=O)N(CC1)C 2230a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 6748 B10R1.332 CN1CCC(=O)N(CC1)C 269982a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 6749 B10R1.332 CN1CCC(=O)N(CC1)C 34a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 6750 B10R1.332 CN1CCN(CCC1=O)[13CH3] 2230a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 6751 B10R1.332 CN1CCN(CCC1=O)[13CH3] 269982a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 6752 B10R1.332 CN1CCN(CCC1=O)[13CH3] 34a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 6753 B10R1.461 CCC(C)C(=O)C1CC1C 1458a_100000211227_100000758301 [0,1,0,1,0,0|1,0,0]=3 6754 B10R1.461 CCC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000758301 [0,1,0,1,0,0|1,0,0]=3 6755 B10R1.461 CCN(C)C(=O)C1CC1C 11a_100000225621_100000211227 [0,1,0,1,0,0|1,0,0]=3 6756 B10R1.461 CCN(C)C(=O)C1CC1C 1626a_100000225621_100000211227 [0,1,0,1,0,0|1,0,0]=3 6757 B10R1.461 CCN(C)C(=O)C1CC1C 527a_100000225621_100000211227 [0,1,0,1,0,0|1,0,0]=3 6758 B10R1.461 CCN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100000225621_100015396687 [0,1,0,1,0,0|2,0,0]=4 6759 B10R1.461 CCN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100000225621_100015396687 [0,1,0,1,0,0|2,0,0]=4 6760 B10R1.461 CCN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100000225621_100015396687 [0,1,0,1,0,0|2,0,0]=4 6761 B10R1.2 CC1C(=O)NCCN1CF 269982a_100000750721_100015361967 [0,1,0,1,0,0|2,0,0]=4 6762 B10R1.2 CC1C(=O)NCCN1CF 34a_100000750721_100015361967 [0,1,0,1,0,0|2,0,0]=4 6763 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [0,1,0,1,0,0|1,0,0]=3 6764 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [0,1,0,1,0,0|1,0,0]=3 6765 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [0,1,0,1,0,0|1,0,0]=3 6766 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [0,1,0,1,0,0|1,0,0]=3 6767 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [0,1,0,1,0,0|1,0,0]=3 6768 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [0,1,0,1,0,0|1,0,0]=3 6769 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,1,0,1,0,0|1,0,0]=3 6770 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,1,0,1,0,0|1,0,0]=3 6771 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,1,0,1,0,0|1,0,1]=4 6772 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,1,0,1,0,0|1,0,1]=4 6773 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,1,0,1,0,0|1,0,0]=3 6774 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,1,0,1,0,0|1,0,0]=3 6775 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [0,1,0,1,0,0|1,0,1]=4 6776 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [0,1,0,1,0,0|1,0,1]=4 6777 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,1,0,1,0,0|2,0,0]=4 6778 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,1,0,1,0,0|1,0,0]=3 6779 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,1,0,1,0,0|1,0,0]=3 6780 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [0,1,0,1,0,0|1,0,0]=3 6781 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [0,1,0,1,0,0|1,0,0]=3 6782 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,1,0,1,0,0|2,0,0]=4 6783 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,1,0,1,0,0|2,0,0]=4 6784 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,1,0,1,0,0|1,0,0]=3 6785 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,1,0,1,0,0|1,0,0]=3 6786 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,1,0,1,0,0|2,0,0]=4 6787 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [0,1,0,1,0,0|2,0,0]=4 6788 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [0,1,0,1,0,0|2,0,0]=4 6789 B10R1.4 O=C1NCCCC1NCF 34a_100000747585_100015361967 [0,1,0,1,0,0|2,0,0]=4 6790 B10R1.4 O=C1NCCCC1OCF 34a_100000073722_100015361967 [0,1,0,1,0,0|2,0,0]=4 6791 B10R1.4 O=C1NCCCC1SCF 62a_100000687798_100015361967 [0,1,0,1,0,0|2,0,0]=4 6792 B10R1.4 O=C1NCCCC1SCF 62a_100015361967_100000687798 [0,1,0,1,0,0|2,0,0]=4 6793 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,1,0,1,0,0|1,0,0]=3 6794 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,1,0,1,0,0|1,0,0]=3 6795 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 2230a_100000751695_200025704644 [0,1,0,1,0,0|2,0,0]=4 6796 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 269982a_100000751695_200025704644 [0,1,0,1,0,0|2,0,0]=4 6797 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 34a_100000751695_200025704644 [0,1,0,1,0,0|2,0,0]=4 6798 B10R1.114 CN1CCNC(=O)C1(C)C 2230a_100000751695_200000210301 [0,1,0,1,0,0|2,0,0]=4 6799 B10R1.114 CN1CCNC(=O)C1(C)C 269982a_100000751695_200000210301 [0,1,0,1,0,0|2,0,0]=4 6800 B10R1.114 CN1CCNC(=O)C1(C)C 34a_100000751695_200000210301 [0,1,0,1,0,0|2,0,0]=4 6801 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [0,1,0,1,0,0|1,0,1]=4 6802 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [0,1,0,1,0,0|1,0,1]=4 6803 B10R1.401 CC1(CCC1)C(=O)CCF 1458a_100000684636_100011217306 [0,1,0,1,0,0|2,0,0]=4 6804 B10R1.401 CC1(CCC1)C(=O)CCO 1458a_100000684636_100000211926 [0,1,0,1,0,0|2,0,0]=4 6805 B10R1.401 CC1(COC1)C(=O)CCF 1458a_100000094709_100011217306 [0,1,0,1,0,0|2,0,0]=4 6806 B10R1.401 CC1(COC1)C(=O)CCO 1458a_100000094709_100000211926 [0,1,0,1,0,0|2,0,0]=4 6807 B10R1.401 CCCC(=O)C1(CCC1)C 1458a_100000684636_100000210303 [0,1,0,1,0,0|1,0,0]=3 6808 B10R1.401 CCCC(=O)C1(CCC1)O 1458a_100000242746_100000210303 [0,1,0,1,0,0|1,0,0]=3 6809 B10R1.401 CCCC(=O)C1(COC1)C 1458a_100000094709_100000210303 [0,1,0,1,0,0|1,0,0]=3 6810 B10R1.401 CCCC(=O)C1(COC1)O 1458a_100010273515_100000210303 [0,1,0,1,0,0|2,0,0]=4 6811 B10R1.401 CCNC(=O)C1(CCC1)C 11a_100015525214_100000684636 [0,1,0,1,0,0|1,0,0]=3 6812 B10R1.401 CCNC(=O)C1(CCC1)C 240690a_100015525214_100000684636 [0,1,0,1,0,0|1,0,0]=3 6813 B10R1.401 CCNC(=O)C1(CCC1)C 527a_100015525214_100000684636 [0,1,0,1,0,0|1,0,0]=3 6814 B10R1.401 CCNC(=O)C1(CCC1)O 240690a_100015525214_100000242746 [0,1,0,1,0,0|1,0,0]=3 6815 B10R1.401 CCNC(=O)C1(COC1)C 11a_100015525214_100000094709 [0,1,0,1,0,0|1,0,0]=3 6816 B10R1.401 CCNC(=O)C1(COC1)C 527a_100015525214_100000094709 [0,1,0,1,0,0|1,0,0]=3 6817 B10R1.401 CCNC(=O)C1(COC1)O 240690a_100015525214_100010273515 [0,1,0,1,0,0|2,0,0]=4 6818 B10R1.401 CCOC(C)C1(COC1)C 7a_200021536307_100000210202 [0,1,0,1,0,0|1,0,1]=4 6819 B10R1.401 CNNC(=O)C1(CCC1)C 22a_100016993582_100000684636 [0,1,0,1,0,0|2,0,0]=4 6820 B10R1.401 CNNC(=O)C1(CCC1)O 22a_100016993582_100000242746 [0,1,0,1,0,0|2,0,0]=4 6821 B10R1.401 CNNC(=O)C1(COC1)C 22a_100016993582_100000094709 [0,1,0,1,0,0|2,0,0]=4 6822 B10R1.401 O=C(CCF)C1(CCC1)O 1458a_100000242746_100011217306 [0,1,0,1,0,0|2,0,0]=4 6823 B10R1.401 O=C(CCO)C1(CCC1)O 1458a_100000242746_100000211926 [0,1,0,1,0,0|2,0,0]=4 6824 B10R1.405 C#CC1(CC1)C(=O)CCC 1458a_100000139144_100000210303 [0,1,0,1,0,0|1,0,1]=4 6825 B10R1.405 C#CC1(CC1)C(=O)NCC 11a_100015525214_100000139144 [0,1,0,1,0,0|1,0,1]=4 6826 B10R1.405 C#CC1(CC1)C(=O)NCC 240690a_100015525214_100000139144 [0,1,0,1,0,0|1,0,1]=4 6827 B10R1.405 C#CC1(CC1)C(=O)NCC 527a_100015525214_100000139144 [0,1,0,1,0,0|1,0,1]=4 6828 B10R1.405 CCCC(=O)C1(CC1)C#N 1458a_100000211992_100009889376 [0,1,0,1,0,0|1,0,1]=4 6829 B10R1.405 CCCC(=O)C1(CC1)C#N 1458a_100000691320_100000210303 [0,1,0,1,0,0|1,0,1]=4 6830 B10R1.405 CCCC(=O)C1(CC1)CO 1458a_100012027107_100000210303 [0,1,0,1,0,0|1,0,0]=3 6831 B10R1.405 CCCC(=O)C1(CC1)OC 1458a_100000137688_100000210303 [0,1,0,1,0,0|1,0,0]=3 6832 B10R1.405 CCNC(=O)C1(CC1)C#N 11a_100015525214_100000691320 [0,1,0,1,0,0|1,0,1]=4 6833 B10R1.405 CCNC(=O)C1(CC1)C#N 240690a_100015525214_100000691320 [0,1,0,1,0,0|1,0,1]=4 6834 B10R1.405 CCNC(=O)C1(CC1)CO 240690a_100015525214_100012027107 [0,1,0,1,0,0|1,0,0]=3 6835 B10R1.405 CCNC(=O)C1(CC1)OC 11a_100015525214_100000137688 [0,1,0,1,0,0|1,0,0]=3 6836 B10R1.405 CCNC(=O)C1(CC1)OC 240690a_100015525214_100000137688 [0,1,0,1,0,0|1,0,0]=3 6837 B10R1.405 CCNC(=O)C1(CC1)OC 527a_100015525214_100000137688 [0,1,0,1,0,0|1,0,0]=3 6838 B10R1.405 CCOC(=O)C1(CC1)NC 34a_100102657272_100009861064 [0,1,0,1,0,0|0,0,0]=2 6839 B10R1.405 CCOC(=O)C1(CC1)NC 7a_106832991635_100009861064 [0,1,0,1,0,0|0,0,0]=2 6840 B10R1.405 CCOC(=O)C1(CC1)OC 34a_100138415774_100009861064 [0,1,0,1,0,0|0,0,0]=2 6841 B10R1.405 CCOC(=O)C1(CC1)OC 7a_200011934196_200000210301 [0,1,0,1,0,0|0,0,0]=2 6842 B10R1.405 CCOC(=O)C1(CC1)O[13CH3] 7a_200011934196_200025704644 [0,1,0,1,0,0|0,0,0]=2 6843 B10R1.405 CCOC(=O)C1(CC1)SC 62a_100009861064_200000210301 [0,1,0,1,0,0|0,0,0]=2 6844 B10R1.405 CCOC(=O)C1(CC1)SC 62a_200000210301_100009861064 [0,1,0,1,0,0|0,0,0]=2 6845 B10R1.405 CCOC(=O)C1(CC1)S[13CH3] 62a_100009861064_200025704644 [0,1,0,1,0,0|0,0,0]=2 6846 B10R1.405 CCOC(=O)C1(CC1)S[13CH3] 62a_200025704644_100009861064 [0,1,0,1,0,0|0,0,0]=2 6847 B10R1.405 CNNC(=O)C1(CC1)CO 22a_100016993582_100012027107 [0,1,0,1,0,0|2,0,0]=4 6848 B10R1.405 CNNC(=O)C1(CC1)OC 22a_100016993582_100000137688 [0,1,0,1,0,0|2,0,0]=4 6849 B10R1.405 COC1(CC1)C(=O)CCF 1458a_100000137688_100011217306 [0,1,0,1,0,0|2,0,0]=4 6850 B10R1.405 COC1(CC1)C(=O)CCO 1458a_100000137688_100000211926 [0,1,0,1,0,0|2,0,0]=4 6851 B10R1.405 O=C(CCF)C1(CC1)CO 1458a_100012027107_100011217306 [0,1,0,1,0,0|2,0,0]=4 6852 B10R1.405 O=C(CCO)C1(CC1)CO 1458a_100012027107_100000211926 [0,1,0,1,0,0|2,0,0]=4 6853 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [0,1,0,1,0,0|1,0,1]=4 6854 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [0,1,0,1,0,0|1,0,1]=4 6855 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,1,0,1,0,0|1,0,1]=4 6856 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,1,0,1,0,0|1,0,0]=3 6857 B10R1.110 CC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210624 [0,1,0,1,0,0|2,0,0]=4 6858 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [0,1,0,1,0,0|1,0,0]=3 6859 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [0,1,0,1,0,0|1,0,0]=3 6860 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [0,1,0,1,0,0|1,0,0]=3 6861 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 11a_100138425928_100015396687 [0,1,0,1,0,0|2,0,0]=4 6862 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 240690a_100138425928_100015396687 [0,1,0,1,0,0|2,0,0]=4 6863 B10R1.110 CC(C)NC(=O)[C@@H]1C[C@@H]1F 527a_100138425928_100015396687 [0,1,0,1,0,0|2,0,0]=4 6864 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,1,0,1,0,0|1,0,0]=3 6865 B10R1.110 CC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218427 [0,1,0,1,0,0|2,0,0]=4 6866 B10R1.110 CC1CC1C(=O)CC(F)F 1458a_100000211227_100011934356 [0,1,0,1,0,0|2,0,0]=4 6867 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [0,1,0,1,0,0|1,0,1]=4 6868 B10R1.266 CC(=CC(=O)C1CCC1)C 1458a_100000211388_100000749161 [0,1,0,1,0,0|1,0,1]=4 6869 B10R1.266 CC(=CC(=O)C1CCC1)Cl 1458a_200042562850_100000749161 [0,1,0,1,0,0|1,0,1]=4 6870 B10R1.266 CC(=CC(=O)C1CCC1)I 1458a_100025716642_100000749161 [0,1,0,1,0,0|1,0,1]=4 6871 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,1,0,1,0,0|1,0,1]=4 6872 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000209988_100000210624 [0,1,0,1,0,0|1,0,0]=3 6873 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000210554_100000749161 [0,1,0,1,0,0|1,0,0]=3 6874 B10R1.266 CC(C)CC(=O)C1CCO1 1458a_100000089072_100000210624 [0,1,0,1,0,0|2,0,0]=4 6875 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000210554_100000687716 [0,1,0,1,0,0|2,0,0]=4 6876 B10R1.266 CC(C)CC(=O)C1COC1 1458a_100000758290_100000210624 [0,1,0,1,0,0|2,0,0]=4 6877 B10R1.266 CC(C)CC(=O)N1CCC1 11a_100000754969_100000210554 [0,1,0,1,0,0|2,0,0]=4 6878 B10R1.266 CC(C)CC(=O)N1CCC1 240690a_100000754969_100000210554 [0,1,0,1,0,0|2,0,0]=4 6879 B10R1.266 CC(C)CC(=O)N1CCC1 527a_100000754969_100000210554 [0,1,0,1,0,0|2,0,0]=4 6880 B10R1.266 CC(C)NC(=O)C1CCC1 11a_100138425928_100000209988 [0,1,0,1,0,0|1,0,0]=3 6881 B10R1.266 CC(C)NC(=O)C1CCC1 1626a_100138425928_100000209988 [0,1,0,1,0,0|1,0,0]=3 6882 B10R1.266 CC(C)NC(=O)C1CCC1 240690a_100138425928_100000209988 [0,1,0,1,0,0|1,0,0]=3 6883 B10R1.266 CC(C)NC(=O)C1CCC1 527a_100138425928_100000209988 [0,1,0,1,0,0|1,0,0]=3 6884 B10R1.266 CC(C)NC(=O)C1CCO1 11a_100138425928_100000089072 [0,1,0,1,0,0|2,0,0]=4 6885 B10R1.266 CC(C)NC(=O)C1CCO1 1626a_100138425928_100000089072 [0,1,0,1,0,0|2,0,0]=4 6886 B10R1.266 CC(C)NC(=O)C1CCO1 240690a_100138425928_100000089072 [0,1,0,1,0,0|2,0,0]=4 6887 B10R1.266 CC(C)NC(=O)C1CCO1 527a_100138425928_100000089072 [0,1,0,1,0,0|2,0,0]=4 6888 B10R1.266 CC(C)NC(=O)C1COC1 11a_100138425928_100000758290 [0,1,0,1,0,0|2,0,0]=4 6889 B10R1.266 CC(C)NC(=O)C1COC1 1626a_100138425928_100000758290 [0,1,0,1,0,0|2,0,0]=4 6890 B10R1.266 CC(C)NC(=O)C1COC1 240690a_100138425928_100000758290 [0,1,0,1,0,0|2,0,0]=4 6891 B10R1.266 CC(C)NC(=O)C1COC1 527a_100138425928_100000758290 [0,1,0,1,0,0|2,0,0]=4 6892 B10R1.266 CC(C)NC(=O)N1CCC1 2708a_100138425928_100000754969 [0,1,0,1,0,0|2,0,0]=4 6893 B10R1.266 CC(C)NC(=O)N1CCC1 273464a_100138425928_100000754969 [0,1,0,1,0,0|2,0,0]=4 6894 B10R1.266 CC(C)OC(C)C1CCC1 34a_100000766398_100000210206 [0,1,0,1,0,0|1,0,1]=4 6895 B10R1.266 CC(C)OC(C)C1CCC1 7a_100000766398_100000210206 [0,1,0,1,0,0|1,0,1]=4 6896 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,1,0,1,0,0|1,0,0]=3 6897 B10R1.266 CC(O)CC(=O)C1CCO1 1458a_100000089072_100011218427 [0,1,0,1,0,0|2,0,0]=4 6898 B10R1.266 CC(O)CC(=O)C1COC1 1458a_100000758290_100011218427 [0,1,0,1,0,0|2,0,0]=4 6899 B10R1.266 CN(C)CC(=O)C1CCC1 1458a_100000750896_100000749161 [0,1,0,1,0,0|2,0,0]=4 6900 B10R1.266 CN(C)CC(=O)C1CCC1 2230a_100102631434_100000686122 [0,1,0,1,0,0|2,0,0]=4 6901 B10R1.266 CN(C)CC(=O)C1CCC1 269982a_100102631434_100000686122 [0,1,0,1,0,0|2,0,0]=4 6902 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,1,0,1,0,0|1,0,0]=3 6903 B10R1.266 C[C@@H](O)CC(=O)C1COC1 1458a_100011933948_100000687716 [0,1,0,1,0,0|2,0,0]=4 6904 B10R1.266 C[C@@H](O)CC(=O)N1CCC1 240690a_100000754969_100011933948 [0,1,0,1,0,0|2,0,0]=4 6905 B10R1.266 C[S+](C)CC(=O)C1CCC1 1458a_200159257847_100000749161 [0,1,0,1,0,0|2,0,0]=4 6906 B10R1.266 O=C(CC(F)F)C1CCC1 1458a_100000209988_100011934356 [0,1,0,1,0,0|2,0,0]=4 6907 B10R1.267 C=C(C)CC(=O)C1(CC1)C 1458a_100000756474_100000748629 [0,1,0,1,0,0|1,0,1]=4 6908 B10R1.267 CC(C)CC(=O)C1(CC1)C 1458a_100000756474_100000210624 [0,1,0,1,0,0|1,0,0]=3 6909 B10R1.267 CC(C)CC(=O)C1(CC1)F 1458a_100000055089_100000210624 [0,1,0,1,0,0|2,0,0]=4 6910 B10R1.267 CC(C)CC(=O)C1(CC1)O 1458a_100000241761_100000210624 [0,1,0,1,0,0|2,0,0]=4 6911 B10R1.267 CC(C)NC(=O)C1(CC1)C 11a_100138425928_100000756474 [0,1,0,1,0,0|1,0,0]=3 6912 B10R1.267 CC(C)NC(=O)C1(CC1)C 1626a_100138425928_100000756474 [0,1,0,1,0,0|1,0,0]=3 6913 B10R1.267 CC(C)NC(=O)C1(CC1)C 240690a_100138425928_100000756474 [0,1,0,1,0,0|1,0,0]=3 6914 B10R1.267 CC(C)NC(=O)C1(CC1)C 527a_100138425928_100000756474 [0,1,0,1,0,0|1,0,0]=3 6915 B10R1.267 CC(C)NC(=O)C1(CC1)F 11a_100138425928_100000055089 [0,1,0,1,0,0|2,0,0]=4 6916 B10R1.267 CC(C)NC(=O)C1(CC1)F 1626a_100138425928_100000055089 [0,1,0,1,0,0|2,0,0]=4 6917 B10R1.267 CC(C)NC(=O)C1(CC1)F 240690a_100138425928_100000055089 [0,1,0,1,0,0|2,0,0]=4 6918 B10R1.267 CC(C)NC(=O)C1(CC1)F 527a_100138425928_100000055089 [0,1,0,1,0,0|2,0,0]=4 6919 B10R1.267 CC(C)NC(=O)C1(CC1)O 240690a_100138425928_100000241761 [0,1,0,1,0,0|2,0,0]=4 6920 B10R1.267 CC(O)CC(=O)C1(CC1)C 1458a_100000756474_100011218427 [0,1,0,1,0,0|1,0,0]=3 6921 B10R1.267 CC(O)CC(=O)C1(CC1)F 1458a_100000055089_100011218427 [0,1,0,1,0,0|2,0,0]=4 6922 B10R1.267 CC(O)CC(=O)C1(CC1)O 1458a_100000241761_100011218427 [0,1,0,1,0,0|2,0,0]=4 6923 B10R1.267 CC1(CC1)C(=O)CC(F)F 1458a_100000756474_100011934356 [0,1,0,1,0,0|2,0,0]=4 6924 B10R1.183 CCC(C)C(=O)C1(CC1)C 1458a_100000756474_100000758301 [0,1,0,1,0,0|1,0,0]=3 6925 B10R1.183 CCC(C)C(=O)C1(CC1)F 1458a_100000055089_100000758301 [0,1,0,1,0,0|1,0,0]=3 6926 B10R1.183 CCC(C)C(=O)C1(CC1)O 1458a_100000241761_100000758301 [0,1,0,1,0,0|1,0,0]=3 6927 B10R1.183 CCN(C)C(=O)C1(CC1)C 11a_100000225621_100000756474 [0,1,0,1,0,0|1,0,0]=3 6928 B10R1.183 CCN(C)C(=O)C1(CC1)C 1626a_100000225621_100000756474 [0,1,0,1,0,0|1,0,0]=3 6929 B10R1.183 CCN(C)C(=O)C1(CC1)C 240690a_100000225621_100000756474 [0,1,0,1,0,0|1,0,0]=3 6930 B10R1.183 CCN(C)C(=O)C1(CC1)C 527a_100000225621_100000756474 [0,1,0,1,0,0|1,0,0]=3 6931 B10R1.183 CCN(C)C(=O)C1(CC1)F 11a_100000225621_100000055089 [0,1,0,1,0,0|2,0,0]=4 6932 B10R1.183 CCN(C)C(=O)C1(CC1)F 1626a_100000225621_100000055089 [0,1,0,1,0,0|2,0,0]=4 6933 B10R1.183 CCN(C)C(=O)C1(CC1)F 240690a_100000225621_100000055089 [0,1,0,1,0,0|2,0,0]=4 6934 B10R1.183 CCN(C)C(=O)C1(CC1)F 527a_100000225621_100000055089 [0,1,0,1,0,0|2,0,0]=4 6935 B10R1.183 CCN(C)C(=O)C1(CC1)O 240690a_100000225621_100000241761 [0,1,0,1,0,0|2,0,0]=4 6936 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,1,0,1,0,0|1,0,1]=4 6937 B10R1.11 CC#CC(=O)C1CCOC1 1458a_100000763181_100000690089 [0,1,0,1,0,0|1,0,1]=4 6938 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,1,0,1,0,0|1,0,1]=4 6939 B10R1.11 CC=CC(=O)C1CCOC1 1458a_100000210699_100000690089 [0,1,0,1,0,0|1,0,1]=4 6940 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,1,0,1,0,0|1,0,1]=4 6941 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,1,0,1,0,0|1,0,1]=4 6942 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|1,0,0]=3 6943 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|1,0,0]=3 6944 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,1,0,1,0,0|1,0,0]=3 6945 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,1,0,1,0,0|1,0,0]=3 6946 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,1,0,1,0,0|1,0,0]=3 6947 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,1,0,1,0,0|2,0,0]=4 6948 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,1,0,1,0,0|2,0,0]=4 6949 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,1,0,1,0,0|2,0,0]=4 6950 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,1,0,1,0,0|2,0,0]=4 6951 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,1,0,1,0,0|2,0,0]=4 6952 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,1,0,1,0,0|1,0,0]=3 6953 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,1,0,1,0,0|1,0,1]=4 6954 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,1,0,1,0,0|1,0,1]=4 6955 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,1,0,1,0,0|1,0,1]=4 6956 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,1,0,1,0,0|1,0,1]=4 6957 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,1,0,1,0,0|1,0,1]=4 6958 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,1,0,0|1,0,0]=3 6959 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,1,0,0|1,0,0]=3 6960 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,1,0,0|1,0,0]=3 6961 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,1,0,1,0,0|1,0,0]=3 6962 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,1,0,1,0,0|1,0,0]=3 6963 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,1,0,1,0,0|1,0,0]=3 6964 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,1,0,1,0,0|1,0,0]=3 6965 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,1,0,1,0,0|1,0,0]=3 6966 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,1,0,1,0,0|1,0,0]=3 6967 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,1,0,1,0,0|2,0,0]=4 6968 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,1,0,1,0,0|2,0,0]=4 6969 B10R1.11 CCNC(=O)N1CCSC1 2708a_100015525214_100011215254 [0,1,0,1,0,0|2,0,0]=4 6970 B10R1.11 CCNC(=O)N1CCSC1 273464a_100015525214_100011215254 [0,1,0,1,0,0|2,0,0]=4 6971 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,1,0,1,0,0|1,0,0]=3 6972 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,1,0,1,0,0|1,0,0]=3 6973 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,1,0,1,0,0|1,0,0]=3 6974 B10R1.11 CCNC(C)C1CCCO1 2230a_100025754208_100000210202 [0,1,0,1,0,0|1,0,1]=4 6975 B10R1.11 CCNC(C)C1CCCO1 34a_100025754208_100000210202 [0,1,0,1,0,0|1,0,1]=4 6976 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [0,1,0,1,0,0|1,0,1]=4 6977 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [0,1,0,1,0,0|1,0,1]=4 6978 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,1,0,1,0,0|2,0,0]=4 6979 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,1,0,1,0,0|2,0,0]=4 6980 B10R1.11 CNNC(=O)C1CCOC1 22a_100016993582_100011219752 [0,1,0,1,0,0|2,0,0]=4 6981 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,1,0,1,0,0|2,0,0]=4 6982 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,1,0,0|2,0,0]=4 6983 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,1,0,1,0,0|2,0,0]=4 6984 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,1,0,1,0,0|2,0,0]=4 6985 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [0,1,0,1,0,0|2,0,0]=4 6986 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,1,0,0|2,0,0]=4 6987 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,1,0,1,0,0|2,0,0]=4 6988 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [0,1,0,1,0,0|2,0,0]=4 6989 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,1,0,1,0,0|2,0,0]=4 6990 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,1,0,0|2,0,0]=4 6991 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,1,0,0|2,0,0]=4 6992 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,1,0,1,0,0|2,0,0]=4 6993 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,1,0,1,0,0|2,0,0]=4 6994 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,1,0,1,0,0|2,0,0]=4 6995 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,1,0,1,0,0|2,0,0]=4 6996 B10R1.130 CC1CC(C(=O)O1)SCF 62a_100015361967_200000216747 [0,1,0,1,0,0|1,0,0]=3 6997 B10R1.130 CC1CC(C(=O)O1)SCF 62a_200000216747_100015361967 [0,1,0,1,0,0|1,0,0]=3 6998 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,1,0,1,0,0|0,0,0]=2 6999 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,1,0,1,0,0|0,0,0]=2 7000 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,1,0,1,0,0|0,0,0]=2 7001 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,1,0,1,0,0|0,0,0]=2 7002 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,1,0,1,0,0|1,0,1]=4 7003 B10R1.140 C=C1CC(C1)C(=O)NCC 11a_100015525214_100000065620 [0,1,0,1,0,0|1,0,1]=4 7004 B10R1.140 C=C1CC(C1)C(=O)NCC 240690a_100015525214_100000065620 [0,1,0,1,0,0|1,0,1]=4 7005 B10R1.140 C=C1CC(C1)C(=O)NCC 527a_100015525214_100000065620 [0,1,0,1,0,0|1,0,1]=4 7006 B10R1.140 CC1CC(C1)C(=O)CCF 1458a_100000686124_100011217306 [0,1,0,1,0,0|2,0,0]=4 7007 B10R1.140 CC1CC(C1)C(=O)CCO 1458a_100000686124_100000211926 [0,1,0,1,0,0|2,0,0]=4 7008 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,1,0,1,0,0|1,0,0]=3 7009 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,1,0,1,0,0|1,0,0]=3 7010 B10R1.140 CCCC(=O)C1CN(C1)C 1458a_100012002723_100000210303 [0,1,0,1,0,0|1,0,0]=3 7011 B10R1.140 CCCC(=O)N1CC(C1)C 11a_100000702820_100000211992 [0,1,0,1,0,0|2,0,0]=4 7012 B10R1.140 CCCC(=O)N1CC(C1)C 240690a_100000702820_100000211992 [0,1,0,1,0,0|2,0,0]=4 7013 B10R1.140 CCCC(=O)N1CC(C1)C 527a_100000702820_100000211992 [0,1,0,1,0,0|2,0,0]=4 7014 B10R1.140 CCCC(=O)N1CC(C1)F 11a_100000690557_100000211992 [0,1,0,1,0,0|2,0,0]=4 7015 B10R1.140 CCCC(=O)N1CC(C1)F 240690a_100000690557_100000211992 [0,1,0,1,0,0|2,0,0]=4 7016 B10R1.140 CCCC(=O)N1CC(C1)F 527a_100000690557_100000211992 [0,1,0,1,0,0|2,0,0]=4 7017 B10R1.140 CCCC(=O)N1CC(C1)O 11a_100000749847_100000211992 [0,1,0,1,0,0|2,0,0]=4 7018 B10R1.140 CCCC(=O)N1CC(C1)O 240690a_100000749847_100000211992 [0,1,0,1,0,0|2,0,0]=4 7019 B10R1.140 CCCC(=O)N1CC(C1)O 527a_100000749847_100000211992 [0,1,0,1,0,0|2,0,0]=4 7020 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,1,0,1,0,0|1,0,0]=3 7021 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,1,0,1,0,0|1,0,0]=3 7022 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,1,0,1,0,0|1,0,0]=3 7023 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,1,0,1,0,0|1,0,0]=3 7024 B10R1.140 CCNC(=O)C1CC(C1)F 11a_100015525214_100000062598 [0,1,0,1,0,0|1,0,0]=3 7025 B10R1.140 CCNC(=O)C1CC(C1)F 240690a_100015525214_100000062598 [0,1,0,1,0,0|1,0,0]=3 7026 B10R1.140 CCNC(=O)C1CC(C1)F 527a_100015525214_100000062598 [0,1,0,1,0,0|1,0,0]=3 7027 B10R1.140 CCNC(=O)C1CN(C1)C 240690a_100015525214_100012002723 [0,1,0,1,0,0|1,0,0]=3 7028 B10R1.140 CCNC(=O)N1CC(C1)C 2708a_100015525214_100000702820 [0,1,0,1,0,0|2,0,0]=4 7029 B10R1.140 CCNC(=O)N1CC(C1)C 273464a_100015525214_100000702820 [0,1,0,1,0,0|2,0,0]=4 7030 B10R1.140 CCNC(=O)N1CC(C1)F 2708a_100015525214_100000690557 [0,1,0,1,0,0|2,0,0]=4 7031 B10R1.140 CCNC(=O)N1CC(C1)F 273464a_100015525214_100000690557 [0,1,0,1,0,0|2,0,0]=4 7032 B10R1.140 CCNC(=O)N1CC(C1)O 2708a_100015525214_100000749847 [0,1,0,1,0,0|2,0,0]=4 7033 B10R1.140 CCNC(=O)N1CC(C1)O 273464a_100015525214_100000749847 [0,1,0,1,0,0|2,0,0]=4 7034 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,1,0,1,0,0|1,0,0]=3 7035 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,1,0,1,0,0|1,0,0]=3 7036 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,1,0,1,0,0|0,0,0]=2 7037 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,1,0,1,0,0|0,0,0]=2 7038 B10R1.140 CN1CC(C1)C(=O)CCF 1458a_100012002723_100011217306 [0,1,0,1,0,0|2,0,0]=4 7039 B10R1.140 CN1CC(C1)C(=O)CCO 1458a_100012002723_100000211926 [0,1,0,1,0,0|2,0,0]=4 7040 B10R1.140 CNNC(=O)C1CC(C1)C 22a_100016993582_100000686124 [0,1,0,1,0,0|2,0,0]=4 7041 B10R1.140 CNNC(=O)C1CC(C1)F 22a_100016993582_100000062598 [0,1,0,1,0,0|2,0,0]=4 7042 B10R1.140 CNNC(=O)C1CN(C1)C 22a_100016993582_100012002723 [0,1,0,1,0,0|2,0,0]=4 7043 B10R1.140 CNNC(=O)[C@H]1C[C@H](C1)O 22a_100016993582_100015266633 [0,1,0,1,0,0|2,0,0]=4 7044 B10R1.140 O=C(CCF)C1CC(C1)F 1458a_100000062598_100011217306 [0,1,0,1,0,0|2,0,0]=4 7045 B10R1.140 O=C(CCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100011217306 [0,1,0,1,0,0|2,0,0]=4 7046 B10R1.140 O=C(CCO)C1CC(C1)F 1458a_100000062598_100000211926 [0,1,0,1,0,0|2,0,0]=4 7047 B10R1.140 O=C(CCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100000211926 [0,1,0,1,0,0|2,0,0]=4 7048 B10R1.222 CCC(CC)C(=O)C1CC1 1458a_100000210395_100000210505 [0,1,0,1,0,0|1,0,0]=3 7049 B10R1.222 CCC(CC)C(=O)C1CO1 1458a_100000701028_100000210505 [0,1,0,1,0,0|2,0,0]=4 7050 B10R1.222 CCN(CC)C(=O)C1CC1 11a_100000724800_100000210395 [0,1,0,1,0,0|2,0,0]=4 7051 B10R1.222 CCN(CC)C(=O)C1CC1 1626a_100000724800_100000210395 [0,1,0,1,0,0|2,0,0]=4 7052 B10R1.222 CCN(CC)C(=O)C1CC1 240690a_100000724800_100000210395 [0,1,0,1,0,0|2,0,0]=4 7053 B10R1.222 CCN(CC)C(=O)C1CC1 527a_100000724800_100000210395 [0,1,0,1,0,0|2,0,0]=4 7054 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,1,0,1,0,0|1,0,0]=3 7055 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,1,0,1,0,0|1,0,0]=3 7056 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,1,0,1,0,0|1,0,0]=3 7057 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,1,0,1,0,0|1,0,0]=3 7058 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,1,0,1,0,0|1,0,0]=3 7059 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,1,0,1,0,0|1,0,0]=3 7060 B10R1.201 CCNS(=O)(=O)C1(CC1)C 270084a_100015525214_100000119786 [0,1,0,1,0,0|2,0,0]=4 7061 B10R1.201 CCNS(=O)(=O)C1(CC1)C 274078a_100015525214_100000119786 [0,1,0,1,0,0|2,0,0]=4 7062 B10R2.368 CCOC1CCC2C1C2 34a_200012295571_100000210202 [0,0,0,2,0,0|1,0,1]=4 7063 B10R2.406 O=C(C1CC1)C2COC2 1458a_100000210395_100000687716 [0,0,0,2,0,0|2,0,0]=4 7064 B10R2.406 O=C(C1CC1)N2CCC2 11a_100000754969_100000210395 [0,0,0,2,0,0|2,0,0]=4 7065 B10R2.406 O=C(C1CC1)N2CCC2 240690a_100000754969_100000210395 [0,0,0,2,0,0|2,0,0]=4 7066 B10R2.406 O=C(C1CC1)N2CCC2 527a_100000754969_100000210395 [0,0,0,2,0,0|2,0,0]=4 7067 B10R2.406 O=C(C1CCC1)C2CC2 1458a_100000210395_100000749161 [0,0,0,2,0,0|1,0,0]=3 7068 B10R2.406 O=C(C1CCC1)C2CO2 1458a_100000701028_100000749161 [0,0,0,2,0,0|2,0,0]=4 7069 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,0,0,0,0,2|0,0,2]=4 7070 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,0,0,0,0,2|0,0,2]=4 7071 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,0,0,0,0,2|0,0,2]=4 7072 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,0,0,0,0,2|0,0,2]=4 7073 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,0,0,0,0,2|0,0,2]=4 7074 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,0,0,0,0,2|0,0,2]=4 7075 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,0,0,0,0,2|0,0,2]=4 7076 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,0,0,0,0,2|0,0,2]=4 7077 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,0,0,0,0,2|0,0,2]=4 7078 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,0,0,0,0,2|0,0,2]=4 7079 B10R0.108 CC#CC(=O)NNC(C)CC 22a_100000718999_100000763181 [0,0,0,0,0,2|1,0,1]=4 7080 B10R0.108 CC=CC(=O)NCC(C)CC 11a_100020588543_100000210699 [0,0,0,0,0,2|1,0,1]=4 7081 B10R0.108 CC=CC(=O)NCC(C)CC 1626a_100020588543_100000210699 [0,0,0,0,0,2|1,0,1]=4 7082 B10R0.108 CC=CC(=O)NCC(C)CC 240690a_100020588543_100000210699 [0,0,0,0,0,2|1,0,1]=4 7083 B10R0.108 CC=CC(=O)NNC(C)CC 22a_100000718999_100000210699 [0,0,0,0,0,2|1,0,1]=4 7084 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,0,0,0,0,2|2,0,0]=4 7085 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,0,0,0,0,2|2,0,0]=4 7086 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,0,0,0,0,2|2,0,0]=4 7087 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,0,0,0,0,2|2,0,0]=4 7088 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,0,0,0,0,2|2,0,0]=4 7089 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,0,0,0,0,2|2,0,0]=4 7090 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,0,0,0,0,2|2,0,0]=4 7091 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,0,0,0,0,2|2,0,0]=4 7092 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [0,0,0,0,0,2|2,0,0]=4 7093 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [0,0,0,0,0,2|2,0,0]=4 7094 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [0,0,0,0,0,2|2,0,0]=4 7095 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [0,0,0,0,0,2|2,0,0]=4 7096 B10R0.108 CCC(C)CNC(=O)NNC 273464a_100020588543_100016993582 [0,0,0,0,0,2|2,0,0]=4 7097 B10R0.108 CCC(C)CNC(=O)NNC 512a_100016993582_100020588543 [0,0,0,0,0,2|2,0,0]=4 7098 B10R0.108 CCC(C)CNC(=O)NNC 512a_100020588543_100016993582 [0,0,0,0,0,2|2,0,0]=4 7099 B10R0.108 CCC(C)NCC(=O)NCO 2230a_100000209981_100000185155 [0,0,0,0,0,2|2,0,0]=4 7100 B10R0.108 CCC(C)NNC(=O)CCO 22a_100000718999_100011216618 [0,0,0,0,0,2|2,0,0]=4 7101 B10R0.108 CCC(C)NNC(=O)COC 22a_100000718999_100000210968 [0,0,0,0,0,2|2,0,0]=4 7102 B10R0.108 CCC(C)NNC(=O)CSC 22a_100000718999_100000184570 [0,0,0,0,0,2|2,0,0]=4 7103 B10R0.108 CCC(C)NNC(=O)NNC 512a_100000718999_100016993582 [0,0,0,0,0,2|2,0,0]=4 7104 B10R0.108 CCC(C)NNC(=O)NNC 512a_100016993582_100000718999 [0,0,0,0,0,2|2,0,0]=4 7105 B10R0.108 CCC(C)OCC(=O)NCO 7a_100000210228_100000185155 [0,0,0,0,0,2|2,0,0]=4 7106 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000185155_100000758301 [0,0,0,0,0,2|2,0,0]=4 7107 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000758301_100000185155 [0,0,0,0,0,2|2,0,0]=4 7108 B10R0.108 CCCC(=NNC(C)CC)C 4a_100000718999_100000211909 [0,0,0,0,0,2|2,0,0]=4 7109 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,0,0,0,0,2|1,0,0]=3 7110 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,0,0,0,0,2|2,0,0]=4 7111 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,0,0,0,0,2|1,0,0]=3 7112 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,0,0,0,0,2|2,0,0]=4 7113 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,0,0,0,0,2|1,0,0]=3 7114 B10R0.108 CCCC(=O)COC(C)CF 7a_100016041109_100000747444 [0,0,0,0,0,2|2,0,0]=4 7115 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,0,0,0,0,2|1,0,0]=3 7116 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,0,0,0,0,2|1,0,0]=3 7117 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,0,0,0,0,2|2,0,0]=4 7118 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [0,0,0,0,0,2|2,0,0]=4 7119 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [0,0,0,0,0,2|2,0,0]=4 7120 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,0,0,0,0,2|2,0,0]=4 7121 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,0,0,0,0,2|2,0,0]=4 7122 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,0,0,0,0,2|1,0,0]=3 7123 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,0,0,0,0,2|1,0,0]=3 7124 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,0,0,0,0,2|1,0,0]=3 7125 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,0,0,0,0,2|1,0,0]=3 7126 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,0,0,0,0,2|2,0,0]=4 7127 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,0,0,0,0,2|2,0,0]=4 7128 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,0,0,0,0,2|2,0,0]=4 7129 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,0,0,0,0,2|2,0,0]=4 7130 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,0,0,0,0,2|2,0,0]=4 7131 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,0,0,0,0,2|2,0,0]=4 7132 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,0,0,0,0,2|2,0,0]=4 7133 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,0,0,0,0,2|2,0,0]=4 7134 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,0,0,0,0,2|2,0,0]=4 7135 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [0,0,0,0,0,2|1,0,0]=3 7136 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [0,0,0,0,0,2|2,0,0]=4 7137 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [0,0,0,0,0,2|2,0,0]=4 7138 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,0,0,0,0,2|1,0,0]=3 7139 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,0,0,0,0,2|1,0,0]=3 7140 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,0,0,0,0,2|1,0,0]=3 7141 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,0,0,0,0,2|2,0,0]=4 7142 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,0,0,0,0,2|2,0,0]=4 7143 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,0,0,0,0,2|2,0,0]=4 7144 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,0,0,0,0,2|2,0,0]=4 7145 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,0,0,0,0,2|1,0,0]=3 7146 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,0,0,0,0,2|1,0,0]=3 7147 B10R0.108 CCNC(=O)CNC(C)CO 2230a_100016988866_100012180447 [0,0,0,0,0,2|2,0,0]=4 7148 B10R0.108 CCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183381 [0,0,0,0,0,2|2,0,0]=4 7149 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,0,0,0,0,2|1,0,0]=3 7150 B10R0.108 CCNC(=O)COC(C)CF 34a_100016041109_100000183381 [0,0,0,0,0,2|2,0,0]=4 7151 B10R0.108 CCNC(=O)COC(C)CF 7a_100016041109_100000183381 [0,0,0,0,0,2|2,0,0]=4 7152 B10R0.108 CCNC(=O)COC(C)CN 34a_100000210904_100000183381 [0,0,0,0,0,2|2,0,0]=4 7153 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,0,0,0,0,2|1,0,0]=3 7154 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,0,0,0,0,2|1,0,0]=3 7155 B10R0.108 CCNC(=O)CSC(C)CO 62a_100012180447_100000183381 [0,0,0,0,0,2|2,0,0]=4 7156 B10R0.108 CCNC(=O)CSC(C)OC 62a_100000183381_100009879195 [0,0,0,0,0,2|2,0,0]=4 7157 B10R0.108 CCNC(=O)CSC(C)OC 62a_100009879195_100000183381 [0,0,0,0,0,2|2,0,0]=4 7158 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100000183381_100016084084 [0,0,0,0,0,2|2,0,0]=4 7159 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183381 [0,0,0,0,0,2|2,0,0]=4 7160 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,0,0,0,0,2|1,0,0]=3 7161 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,0,0,0,0,2|1,0,0]=3 7162 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,0,0,0,0,2|1,0,0]=3 7163 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,0,0,0,0,2|1,0,0]=3 7164 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,0,0,0,0,2|1,0,0]=3 7165 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,0,0,0,0,2|1,0,0]=3 7166 B10R0.108 CCNC(=O)NCC(C)CO 2708a_100015525214_100000744482 [0,0,0,0,0,2|2,0,0]=4 7167 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100000744482_100015525214 [0,0,0,0,0,2|2,0,0]=4 7168 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100015525214_100000744482 [0,0,0,0,0,2|2,0,0]=4 7169 B10R0.108 CCNC(=O)NCC(C)CO 512a_100000744482_100015525214 [0,0,0,0,0,2|2,0,0]=4 7170 B10R0.108 CCNC(=O)NCC(C)CO 512a_100015525214_100000744482 [0,0,0,0,0,2|2,0,0]=4 7171 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,0,0,0,0,2|2,0,0]=4 7172 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,0,0,0,0,2|2,0,0]=4 7173 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,0,0,0,0,2|2,0,0]=4 7174 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,0,0,0,0,2|2,0,0]=4 7175 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100015525214_100020591295 [0,0,0,0,0,2|2,0,0]=4 7176 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100015525214 [0,0,0,0,0,2|2,0,0]=4 7177 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100015525214_100020591295 [0,0,0,0,0,2|2,0,0]=4 7178 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100015525214 [0,0,0,0,0,2|2,0,0]=4 7179 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100015525214_100020591295 [0,0,0,0,0,2|2,0,0]=4 7180 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100015525214 [0,0,0,0,0,2|2,0,0]=4 7181 B10R0.108 CCNC(=O)NNC(C)CC 273464a_100015525214_100000718999 [0,0,0,0,0,2|1,0,0]=3 7182 B10R0.108 CCNC(=O)NNC(C)CC 512a_100000718999_100015525214 [0,0,0,0,0,2|1,0,0]=3 7183 B10R0.108 CCNC(=O)NNC(C)CC 512a_100015525214_100000718999 [0,0,0,0,0,2|1,0,0]=3 7184 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,0,0,0,0,2|1,0,1]=4 7185 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,0,0,0,0,2|1,0,1]=4 7186 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,0,0,0,0,2|1,0,0]=3 7187 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,0,0,0,0,2|1,0,0]=3 7188 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,0,0,0,0,2|1,0,0]=3 7189 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,0,0,0,0,2|1,0,0]=3 7190 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,0,0,0,0,2|1,0,0]=3 7191 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,0,0,0,0,2|1,0,0]=3 7192 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,0,0,0,0,2|1,0,0]=3 7193 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,0,0,0,0,2|1,0,0]=3 7194 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,0,0,0,0,2|1,0,0]=3 7195 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,0,0,0,0,2|1,0,0]=3 7196 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,0,0,0,0,2|1,0,0]=3 7197 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,0,0,0,0,2|1,0,0]=3 7198 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,0,0,0,0,2|1,0,0]=3 7199 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,0,0,0,0,2|1,0,0]=3 7200 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,0,0,0,0,2|2,0,0]=4 7201 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,0,0,0,0,2|1,0,0]=3 7202 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,0,0,0,0,2|1,0,0]=3 7203 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,0,0,0,0,2|1,0,1]=4 7204 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,0,0,0,0,2|1,0,1]=4 7205 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,0,0,0,0,2|0,0,0]=2 7206 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,0,0,0,0,2|1,0,0]=3 7207 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,0,0,0,0,2|1,0,1]=4 7208 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,0,0,0,0,2|0,0,0]=2 7209 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,0,0,0,0,2|1,0,0]=3 7210 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,0,0,0,0,2|1,0,0]=3 7211 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,0,0,0,0,2|1,0,0]=3 7212 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,0,0,0,0,2|1,0,1]=4 7213 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,0,0,0,0,2|1,0,1]=4 7214 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,0,0,0,0,2|0,0,0]=2 7215 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,0,0,0,0,2|0,0,0]=2 7216 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,0,0,0,0,2|1,0,0]=3 7217 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,0,0,0,0,2|1,0,0]=3 7218 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,0,0,0,0,2|1,0,0]=3 7219 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,0,0,0,0,2|1,0,0]=3 7220 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,0,0,0,0,2|1,0,0]=3 7221 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,0,0,0,0,2|1,0,1]=4 7222 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,0,0,0,0,2|1,0,1]=4