0 B11R0.191 C#CCC(=O)C(CC)CCCC 1458a_100000211130_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.191 C#CCC(=O)C(CC)CCCC 1458a_100011220946_200011216223 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.191 C#CCC(=O)N(CC)CCCC 1626a_100000207695_100011220946 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.191 C#CCC(=O)N(CC)CCCC 527a_100000207695_100011220946 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.191 C#CCNC(CC)C(=O)OCC 34a_100000212058_100000212269 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.191 C#CCNC(SC)C(=O)OCC 34a_100000212058_100009893047 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.191 C#CCOC(CC)C(=O)OCC 34a_100000210247_100000212269 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.191 C#CCOC(CC)C(=O)OCC 34a_100011216719_100000184674 [0,0,0,0,0,0|1,0,2]=3 8 B11R0.191 C#CCOC(CC)C(=O)OCC 7a_100011216719_100000038162 [0,0,0,0,0,0|1,0,2]=3 9 B11R0.191 C#CCOC(SC)C(=O)OCC 34a_100000210247_100009893047 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.191 C#CCSC(CC)C(=O)OCC 62a_100000038162_100000212269 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.191 C#CCSC(SC)C(=O)OCC 62a_100000038162_100009893047 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.191 C=CCC(=O)C(CC)CCCC 1458a_100000210193_200011216223 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.191 C=CCC(=O)C(CC)CCCC 1458a_100000211130_100000210623 [0,0,0,0,0,0|1,0,2]=3 14 B11R0.191 C=CCC(=O)N(CC)CCCC 11a_100000207695_100000210193 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.191 C=CCC(=O)N(CC)CCCC 1626a_100000207695_100000210193 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.191 C=CCC(=O)N(CC)CCCC 240690a_100000207695_100000210193 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.191 C=CCC(=O)N(CC)CCCC 527a_100000207695_100000210193 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.191 C=CCNC(CC)C(=O)OCC 2230a_100020586998_100000212269 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.191 C=CCOC(CC)C(=O)OCC 34a_100011216719_100015514636 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.191 C=CCOC(CC)C(=O)OCC 34a_200000210373_100000212269 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.191 C=CCOC(CC)C(=O)OCC 7a_100011216719_100015514636 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.191 C=CCOC(SC)C(=O)OCC 34a_200000210373_100009893047 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.191 C=CCSC(CC)C(=O)OCC 62a_100000210623_100000212269 [0,0,0,0,0,0|1,0,2]=3 24 B11R0.191 C=CCSC(CC)C(=O)OCC 62a_100000212269_100000210623 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.191 C=CCSC(SC)C(=O)OCC 62a_100000210623_100009893047 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.191 C=CCSC(SC)C(=O)OCC 62a_100009893047_100000210623 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.191 CC#CC(=O)C(CC)CCCC 1458a_100000763181_200011216223 [0,0,0,0,0,0|1,0,1]=2 28 B11R0.191 CC=CC(=O)C(CC)CCCC 1458a_100000210699_200011216223 [0,0,0,0,0,0|1,0,1]=2 29 B11R0.191 CC=CC(=O)N(CC)CCCC 11a_100000207695_100000210699 [0,0,0,0,0,0|2,0,1]=3 30 B11R0.191 CC=CC(=O)N(CC)CCCC 1626a_100000207695_100000210699 [0,0,0,0,0,0|2,0,1]=3 31 B11R0.191 CC=CC(=O)N(CC)CCCC 240690a_100000207695_100000210699 [0,0,0,0,0,0|2,0,1]=3 32 B11R0.191 CC=CC(=O)N(CC)CCOC 11a_100000731262_100000210699 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.191 CC=CC(=O)N(CC)CCOC 1626a_100000731262_100000210699 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.191 CC=CC(=O)N(CC)CCOC 240690a_100000731262_100000210699 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.191 CCCC(=O)N(CC)CCC#N 11a_100000226048_100000211992 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.191 CCCC(=O)N(CC)CCC#N 1626a_100000226048_100000211992 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.191 CCCC(=O)N(CC)CCC#N 240690a_100000226048_100000211992 [0,0,0,0,0,0|3,0,1]=4 38 B11R0.191 CCCC(=O)N(CC)CCC#N 527a_100000226048_100000211992 [0,0,0,0,0,0|3,0,1]=4 39 B11R0.191 CCCC(=O)N(CC)CCOC 11a_100000731262_100000211992 [0,0,0,0,0,0|3,0,0]=3 40 B11R0.191 CCCC(=O)N(CC)CCOC 1626a_100000731262_100000211992 [0,0,0,0,0,0|3,0,0]=3 41 B11R0.191 CCCC(=O)N(CC)CCOC 240690a_100000731262_100000211992 [0,0,0,0,0,0|3,0,0]=3 42 B11R0.191 CCCC(=O)N(CC)CCOC 527a_100000731262_100000211992 [0,0,0,0,0,0|3,0,0]=3 43 B11R0.191 CCCCC(CC)C(=O)C=CBr 1458a_100016273825_200011216223 [0,0,0,0,0,0|2,0,1]=3 44 B11R0.191 CCCCC(CC)C(=O)C=CCl 1458a_200016279998_200011216223 [0,0,0,0,0,0|2,0,1]=3 45 B11R0.191 CCCCC(CC)C(=O)C=CI 1458a_100016256311_200011216223 [0,0,0,0,0,0|2,0,1]=3 46 B11R0.191 CCCCC(CC)C(=O)CC#N 1458a_100000211130_100011214920 [0,0,0,0,0,0|2,0,1]=3 47 B11R0.191 CCCCC(CC)C(=O)CC#N 1458a_100051588842_200011216223 [0,0,0,0,0,0|2,0,1]=3 48 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211130_100000210303 [0,0,0,0,0,0|1,0,0]=1 49 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211992_200011216223 [0,0,0,0,0,0|1,0,0]=1 50 B11R0.191 CCCCC(CC)C(=O)CCF 1458a_100000211130_100011217306 [0,0,0,0,0,0|2,0,0]=2 51 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100000211130_100000211926 [0,0,0,0,0,0|2,0,0]=2 52 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100011216618_200011216223 [0,0,0,0,0,0|2,0,0]=2 53 B11R0.191 CCCCC(CC)C(=O)COC 1458a_100000210968_200011216223 [0,0,0,0,0,0|2,0,0]=2 54 B11R0.191 CCCCC(CC)C(=O)CSC 1458a_100000184570_200011216223 [0,0,0,0,0,0|2,0,0]=2 55 B11R0.191 CCCCC(CC)C(=O)NCC 11a_100015525214_100000211130 [0,0,0,0,0,0|1,0,0]=1 56 B11R0.191 CCCCC(CC)C(=O)NCC 240690a_100015525214_100000211130 [0,0,0,0,0,0|1,0,0]=1 57 B11R0.191 CCCCC(CC)C(=O)NCC 527a_100015525214_100000211130 [0,0,0,0,0,0|1,0,0]=1 58 B11R0.191 CCCCC(CC)C(=O)NNC 22a_100016993582_100000211130 [0,0,0,0,0,0|2,0,0]=2 59 B11R0.191 CCCCC(CC)C(C)OCC 34a_200011290779_100000210202 [0,0,0,0,0,0|1,0,1]=2 60 B11R0.191 CCCCC(CC)C(C)OCC 7a_200011290779_100000210202 [0,0,0,0,0,0|1,0,1]=2 61 B11R0.191 CCCCC(CC)C(C)OCF 34a_200011290779_100015361967 [0,0,0,0,0,0|2,0,1]=3 62 B11R0.191 CCCCC(CC)C(C)OCF 7a_200011290779_100015361967 [0,0,0,0,0,0|2,0,1]=3 63 B11R0.191 CCCCC(CC)N(C)CCC 269982a_100000747261_200011216223 [0,0,0,0,0,0|3,0,0]=3 64 B11R0.191 CCCCC(CC)N(C)CCC 270004a_100000747261_100000753412 [0,0,0,0,0,0|3,0,0]=3 65 B11R0.191 CCCCC(CC)N(C)CCO 269982a_100000210263_200011216223 [0,0,0,0,0,0|4,0,0]=4 66 B11R0.191 CCCCC(CC)N(C)CCO 270004a_100000210263_100000753412 [0,0,0,0,0,0|4,0,0]=4 67 B11R0.191 CCCCC(NC)C(=O)OCC 2230a_106832991635_200009813700 [0,0,0,0,0,0|1,0,0]=1 68 B11R0.191 CCCCC(NC)C(=O)OCC 34a_100102657272_200009813700 [0,0,0,0,0,0|1,0,0]=1 69 B11R0.191 CCCCC(NC)C(=O)OCC 7a_106832991635_200009813700 [0,0,0,0,0,0|1,0,0]=1 70 B11R0.191 CCCCC(NC)C(C)CCC 270004a_106832991635_100011216208 [0,0,0,0,0,0|3,0,1]=4 71 B11R0.191 CCCCC(OC)C(=O)OCC 34a_100138415774_200009813700 [0,0,0,0,0,0|1,0,0]=1 72 B11R0.191 CCCCC(OC)C(=O)OCC 34a_200011215408_200000210301 [0,0,0,0,0,0|1,0,0]=1 73 B11R0.191 CCCCC(OC)C(=O)OCC 7a_200011215408_200000210301 [0,0,0,0,0,0|1,0,0]=1 74 B11R0.191 CCCCC(OC)C(C)CCC 34a_200011217622_200000210301 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.191 CCCCC(OC)C(C)CCC 7a_200011217622_200000210301 [0,0,0,0,0,0|3,0,1]=4 76 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 34a_200011215408_200025704644 [0,0,0,0,0,0|1,0,0]=1 77 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 7a_200011215408_200025704644 [0,0,0,0,0,0|1,0,0]=1 78 B11R0.191 CCCCC(O[13CH3])C(C)CCC 34a_200011217622_200025704644 [0,0,0,0,0,0|3,0,1]=4 79 B11R0.191 CCCCC(O[13CH3])C(C)CCC 7a_200011217622_200025704644 [0,0,0,0,0,0|3,0,1]=4 80 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200000210301_200009813700 [0,0,0,0,0,0|1,0,0]=1 81 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200009813700_200000210301 [0,0,0,0,0,0|1,0,0]=1 82 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200009813700_200025704644 [0,0,0,0,0,0|1,0,0]=1 83 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813700 [0,0,0,0,0,0|1,0,0]=1 84 B11R0.191 CCCCN(CC)C(=O)C=CBr 1626a_100000207695_100016273825 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.191 CCCCN(CC)C(=O)C=CBr 240690a_100000207695_100016273825 [0,0,0,0,0,0|3,0,1]=4 86 B11R0.191 CCCCN(CC)C(=O)C=CCl 11a_100000207695_200016279998 [0,0,0,0,0,0|3,0,1]=4 87 B11R0.191 CCCCN(CC)C(=O)C=CCl 1626a_100000207695_200016279998 [0,0,0,0,0,0|3,0,1]=4 88 B11R0.191 CCCCN(CC)C(=O)C=CCl 240690a_100000207695_200016279998 [0,0,0,0,0,0|3,0,1]=4 89 B11R0.191 CCCCN(CC)C(=O)C=CI 1626a_100000207695_100016256311 [0,0,0,0,0,0|3,0,1]=4 90 B11R0.191 CCCCN(CC)C(=O)CC#N 1626a_100000207695_100051588842 [0,0,0,0,0,0|3,0,1]=4 91 B11R0.191 CCCCN(CC)C(=O)CC#N 240690a_100000207695_100051588842 [0,0,0,0,0,0|3,0,1]=4 92 B11R0.191 CCCCN(CC)C(=O)CCC 11a_100000207695_100000211992 [0,0,0,0,0,0|2,0,0]=2 93 B11R0.191 CCCCN(CC)C(=O)CCC 1626a_100000207695_100000211992 [0,0,0,0,0,0|2,0,0]=2 94 B11R0.191 CCCCN(CC)C(=O)CCC 240690a_100000207695_100000211992 [0,0,0,0,0,0|2,0,0]=2 95 B11R0.191 CCCCN(CC)C(=O)CCC 527a_100000207695_100000211992 [0,0,0,0,0,0|2,0,0]=2 96 B11R0.191 CCCCN(CC)C(=O)CCO 240690a_100000207695_100011216618 [0,0,0,0,0,0|3,0,0]=3 97 B11R0.191 CCCCN(CC)C(=O)CNC 2230a_106832991635_100000230192 [0,0,0,0,0,0|3,0,0]=3 98 B11R0.191 CCCCN(CC)C(=O)CNC 34a_100102657272_100000230192 [0,0,0,0,0,0|3,0,0]=3 99 B11R0.191 CCCCN(CC)C(=O)CNC 7a_106832991635_100000230192 [0,0,0,0,0,0|3,0,0]=3 100 B11R0.191 CCCCN(CC)C(=O)COC 11a_100000207695_100000210968 [0,0,0,0,0,0|3,0,0]=3 101 B11R0.191 CCCCN(CC)C(=O)COC 1626a_100000207695_100000210968 [0,0,0,0,0,0|3,0,0]=3 102 B11R0.191 CCCCN(CC)C(=O)COC 240690a_100000207695_100000210968 [0,0,0,0,0,0|3,0,0]=3 103 B11R0.191 CCCCN(CC)C(=O)COC 34a_100138415774_100000230192 [0,0,0,0,0,0|3,0,0]=3 104 B11R0.191 CCCCN(CC)C(=O)COC 527a_100000207695_100000210968 [0,0,0,0,0,0|3,0,0]=3 105 B11R0.191 CCCCN(CC)C(=O)CSC 11a_100000207695_100000184570 [0,0,0,0,0,0|3,0,0]=3 106 B11R0.191 CCCCN(CC)C(=O)CSC 1626a_100000207695_100000184570 [0,0,0,0,0,0|3,0,0]=3 107 B11R0.191 CCCCN(CC)C(=O)CSC 240690a_100000207695_100000184570 [0,0,0,0,0,0|3,0,0]=3 108 B11R0.191 CCCCN(CC)C(=O)CSC 527a_100000207695_100000184570 [0,0,0,0,0,0|3,0,0]=3 109 B11R0.191 CCCCN(CC)C(=O)CSC 62a_200000210301_100000230192 [0,0,0,0,0,0|3,0,0]=3 110 B11R0.191 CCCCN(CC)C(=O)CS[13CH3] 62a_200025704644_100000230192 [0,0,0,0,0,0|3,0,0]=3 111 B11R0.191 CCCCN(CC)C(=O)NCC 2708a_100015525214_100000207695 [0,0,0,0,0,0|2,0,0]=2 112 B11R0.191 CCCCN(CC)C(=O)NCC 273464a_100015525214_100000207695 [0,0,0,0,0,0|2,0,0]=2 113 B11R0.191 CCCCN(CC)C(C)CCC 2230a_100000207695_100000766640 [0,0,0,0,0,0|3,0,1]=4 114 B11R0.191 CCCCN(CC)C(C)CCC 269982a_100000207695_100000766640 [0,0,0,0,0,0|3,0,1]=4 115 B11R0.191 CCCCN(CC)C(C)CCC 270004a_100000207695_100000211909 [0,0,0,0,0,0|3,0,1]=4 116 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100000210258_100000212269 [0,0,0,0,0,0|1,0,0]=1 117 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100011216719_100000210303 [0,0,0,0,0,0|1,0,0]=1 118 B11R0.191 CCCOC(CC)C(=O)OCC 7a_100011216719_100000210303 [0,0,0,0,0,0|1,0,0]=1 119 B11R0.191 CCCOC(CC)C(C)CCC 34a_200011218412_100000210303 [0,0,0,0,0,0|3,0,1]=4 120 B11R0.191 CCCOC(CC)C(C)CCC 7a_200011218412_100000210303 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.191 CCCOC(SC)C(=O)OCC 34a_100000210258_100009893047 [0,0,0,0,0,0|2,0,0]=2 122 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000053139_100000210303 [0,0,0,0,0,0|2,0,1]=3 123 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000210303_100000053139 [0,0,0,0,0,0|2,0,1]=3 124 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000210303_100000212269 [0,0,0,0,0,0|1,0,0]=1 125 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000212269_100000210303 [0,0,0,0,0,0|1,0,0]=1 126 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100000210303_100009893047 [0,0,0,0,0,0|2,0,0]=2 127 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100009893047_100000210303 [0,0,0,0,0,0|2,0,0]=2 128 B11R0.191 CCN(CCOC)C(=O)CCO 240690a_100000731262_100011216618 [0,0,0,0,0,0|4,0,0]=4 129 B11R0.191 CCN(CCOC)C(=O)COC 11a_100000731262_100000210968 [0,0,0,0,0,0|4,0,0]=4 130 B11R0.191 CCN(CCOC)C(=O)COC 1626a_100000731262_100000210968 [0,0,0,0,0,0|4,0,0]=4 131 B11R0.191 CCN(CCOC)C(=O)COC 240690a_100000731262_100000210968 [0,0,0,0,0,0|4,0,0]=4 132 B11R0.191 CCN(CCOC)C(=O)COC 527a_100000731262_100000210968 [0,0,0,0,0,0|4,0,0]=4 133 B11R0.191 CCN(CCOC)C(=O)CSC 11a_100000731262_100000184570 [0,0,0,0,0,0|4,0,0]=4 134 B11R0.191 CCN(CCOC)C(=O)CSC 1626a_100000731262_100000184570 [0,0,0,0,0,0|4,0,0]=4 135 B11R0.191 CCN(CCOC)C(=O)CSC 240690a_100000731262_100000184570 [0,0,0,0,0,0|4,0,0]=4 136 B11R0.191 CCN(CCOC)C(=O)CSC 527a_100000731262_100000184570 [0,0,0,0,0,0|4,0,0]=4 137 B11R0.191 CCNC(=O)N(CC)CCC#N 2708a_100015525214_100000226048 [0,0,0,0,0,0|3,0,1]=4 138 B11R0.191 CCNC(=O)N(CC)CCC#N 273464a_100015525214_100000226048 [0,0,0,0,0,0|3,0,1]=4 139 B11R0.191 CCNC(=O)N(CC)CCOC 2708a_100015525214_100000731262 [0,0,0,0,0,0|3,0,0]=3 140 B11R0.191 CCNC(=O)N(CC)CCOC 273464a_100015525214_100000731262 [0,0,0,0,0,0|3,0,0]=3 141 B11R0.191 CCNN=C(CC)C(=O)OCC 4a_100000756455_100000211510 [0,0,0,0,0,0|2,0,1]=3 142 B11R0.191 CCOC(=O)C(C=O)SCCF 62a_100000053139_100011217306 [0,0,0,0,0,0|3,0,1]=4 143 B11R0.191 CCOC(=O)C(C=O)SCCF 62a_100011217306_100000053139 [0,0,0,0,0,0|3,0,1]=4 144 B11R0.191 CCOC(=O)C(C=O)SCCO 62a_100000053139_100000211926 [0,0,0,0,0,0|3,0,1]=4 145 B11R0.191 CCOC(=O)C(C=O)SCCO 62a_100000211926_100000053139 [0,0,0,0,0,0|3,0,1]=4 146 B11R0.191 CCOC(=O)C(C=O)SCOC 62a_100000053139_100000766300 [0,0,0,0,0,0|3,0,1]=4 147 B11R0.191 CCOC(=O)C(C=O)SCOC 62a_100000766300_100000053139 [0,0,0,0,0,0|3,0,1]=4 148 B11R0.191 CCOC(=O)C(C=O)SCSC 62a_100000053139_100011218213 [0,0,0,0,0,0|3,0,1]=4 149 B11R0.191 CCOC(=O)C(C=O)SCSC 62a_100011218213_100000053139 [0,0,0,0,0,0|3,0,1]=4 150 B11R0.191 CCOC(=O)C(CC)NCCF 34a_100000724931_100000212269 [0,0,0,0,0,0|2,0,0]=2 151 B11R0.191 CCOC(=O)C(CC)NCCO 2230a_100016997473_100000212269 [0,0,0,0,0,0|2,0,0]=2 152 B11R0.191 CCOC(=O)C(CC)NCCO 34a_100016990907_100000212269 [0,0,0,0,0,0|2,0,0]=2 153 B11R0.191 CCOC(=O)C(CC)OCC#N 7a_100011216719_100011215382 [0,0,0,0,0,0|2,0,1]=3 154 B11R0.191 CCOC(=O)C(CC)OCC=O 34a_100011216719_200009817547 [0,0,0,0,0,0|2,0,1]=3 155 B11R0.191 CCOC(=O)C(CC)OCC=O 7a_100011216719_200015260668 [0,0,0,0,0,0|2,0,1]=3 156 B11R0.191 CCOC(=O)C(CC)OCCBr 34a_100000211926_100000212269 [0,0,0,0,0,0|2,0,0]=2 157 B11R0.191 CCOC(=O)C(CC)OCCF 34a_100011216719_100011217306 [0,0,0,0,0,0|2,0,0]=2 158 B11R0.191 CCOC(=O)C(CC)OCCF 7a_100011216719_100011217306 [0,0,0,0,0,0|2,0,0]=2 159 B11R0.191 CCOC(=O)C(CC)OCCN 34a_100000210304_100000212269 [0,0,0,0,0,0|2,0,0]=2 160 B11R0.191 CCOC(=O)C(CC)OCCO 34a_100011216719_100000211926 [0,0,0,0,0,0|2,0,0]=2 161 B11R0.191 CCOC(=O)C(CC)OCCO 7a_100011216719_100000211926 [0,0,0,0,0,0|2,0,0]=2 162 B11R0.191 CCOC(=O)C(CC)OCSC 34a_100011216719_100011218213 [0,0,0,0,0,0|2,0,0]=2 163 B11R0.191 CCOC(=O)C(CC)SCC#N 62a_100000212269_100011215382 [0,0,0,0,0,0|2,0,1]=3 164 B11R0.191 CCOC(=O)C(CC)SCC#N 62a_100011215382_100000212269 [0,0,0,0,0,0|2,0,1]=3 165 B11R0.191 CCOC(=O)C(CC)SCC=O 62a_100000212269_200015260668 [0,0,0,0,0,0|2,0,1]=3 166 B11R0.191 CCOC(=O)C(CC)SCC=O 62a_200015260668_100000212269 [0,0,0,0,0,0|2,0,1]=3 167 B11R0.191 CCOC(=O)C(CC)SCCF 62a_100000212269_100011217306 [0,0,0,0,0,0|2,0,0]=2 168 B11R0.191 CCOC(=O)C(CC)SCCF 62a_100011217306_100000212269 [0,0,0,0,0,0|2,0,0]=2 169 B11R0.191 CCOC(=O)C(CC)SCCO 62a_100000211926_100000212269 [0,0,0,0,0,0|2,0,0]=2 170 B11R0.191 CCOC(=O)C(CC)SCCO 62a_100000212269_100000211926 [0,0,0,0,0,0|2,0,0]=2 171 B11R0.191 CCOC(=O)C(CC)SCOC 62a_100000212269_100000766300 [0,0,0,0,0,0|2,0,0]=2 172 B11R0.191 CCOC(=O)C(CC)SCOC 62a_100000766300_100000212269 [0,0,0,0,0,0|2,0,0]=2 173 B11R0.191 CCOC(=O)C(CC)SCSC 62a_100000212269_100011218213 [0,0,0,0,0,0|2,0,0]=2 174 B11R0.191 CCOC(=O)C(CC)SCSC 62a_100011218213_100000212269 [0,0,0,0,0,0|2,0,0]=2 175 B11R0.191 CCOC(=O)C(NCCF)SC 34a_100000724931_100009893047 [0,0,0,0,0,0|3,0,0]=3 176 B11R0.191 CCOC(=O)C(NCCO)SC 34a_100016990907_100009893047 [0,0,0,0,0,0|3,0,0]=3 177 B11R0.191 CCOC(=O)C(OCCBr)SC 34a_100000211926_100009893047 [0,0,0,0,0,0|3,0,0]=3 178 B11R0.191 CCOC(=O)C(OCCN)SC 34a_100000210304_100009893047 [0,0,0,0,0,0|3,0,0]=3 179 B11R0.191 CCOC(=O)C(SC)SCC#N 62a_100009893047_100011215382 [0,0,0,0,0,0|3,0,1]=4 180 B11R0.191 CCOC(=O)C(SC)SCC#N 62a_100011215382_100009893047 [0,0,0,0,0,0|3,0,1]=4 181 B11R0.191 CCOC(=O)C(SC)SCC=O 62a_100009893047_200015260668 [0,0,0,0,0,0|3,0,1]=4 182 B11R0.191 CCOC(=O)C(SC)SCC=O 62a_200015260668_100009893047 [0,0,0,0,0,0|3,0,1]=4 183 B11R0.191 CCOC(=O)C(SC)SCCF 62a_100009893047_100011217306 [0,0,0,0,0,0|3,0,0]=3 184 B11R0.191 CCOC(=O)C(SC)SCCF 62a_100011217306_100009893047 [0,0,0,0,0,0|3,0,0]=3 185 B11R0.191 CCOC(=O)C(SC)SCCO 62a_100000211926_100009893047 [0,0,0,0,0,0|3,0,0]=3 186 B11R0.191 CCOC(=O)C(SC)SCCO 62a_100009893047_100000211926 [0,0,0,0,0,0|3,0,0]=3 187 B11R0.191 CCOC(=O)C(SC)SCOC 62a_100000766300_100009893047 [0,0,0,0,0,0|3,0,0]=3 188 B11R0.191 CCOC(=O)C(SC)SCOC 62a_100009893047_100000766300 [0,0,0,0,0,0|3,0,0]=3 189 B11R0.191 CCOC(=O)C(SC)SCSC 62a_100009893047_100011218213 [0,0,0,0,0,0|3,0,0]=3 190 B11R0.191 CCOC(=O)C(SC)SCSC 62a_100011218213_100009893047 [0,0,0,0,0,0|3,0,0]=3 191 B10R0.16 CCC/C=C(\CC)/CNCC 269862a_100015525214_100020616858 [1,0,0,0,0,0|2,0,1]=4 192 B10R0.16 CCC/C=C(\CC)/COCC 34a_200015372368_100000210202 [1,0,0,0,0,0|0,0,3]=4 193 B10R0.16 CCC/C=C(\CC)/COCC 7a_200015372368_100000210202 [1,0,0,0,0,0|0,0,3]=4 194 B10R0.16 CCCCC(=NNCC)CC 4a_100000756455_100000753412 [1,0,0,0,0,0|2,0,1]=4 195 B10R0.16 CCCCC(CC)CNCC 2230a_100000209976_100000210202 [1,0,0,0,0,0|1,0,1]=3 196 B10R0.16 CCCCC(CC)CNCC 2230a_100015525214_100000211942 [1,0,0,0,0,0|1,0,1]=3 197 B10R0.16 CCCCC(CC)CNCC 269862a_100015525214_100011219736 [1,0,0,0,0,0|1,0,1]=3 198 B10R0.16 CCCCC(CC)CNCC 270004a_100015525214_100011219736 [1,0,0,0,0,0|1,0,1]=3 199 B10R0.16 CCCCC(CC)COCC 34a_100000210273_100000210202 [1,0,0,0,0,0|0,0,1]=2 200 B10R0.16 CCCCC(CC)COCC 34a_100121572206_100000211942 [1,0,0,0,0,0|0,0,1]=2 201 B10R0.16 CCCCC(CC)COCC 7a_100000210273_100000210202 [1,0,0,0,0,0|0,0,1]=2 202 B10R0.16 CCCCC(CC)COCF 34a_100000210273_100015361967 [1,0,0,0,0,0|1,0,1]=3 203 B10R0.16 CCCCC(CC)COCF 7a_100000210273_100015361967 [1,0,0,0,0,0|1,0,1]=3 204 B10R0.16 CCCCC(CC)CSCC 62a_100000210202_100000211942 [1,0,0,0,0,0|0,1,1]=3 205 B10R0.16 CCCCC(CC)CSCC 62a_100000211942_100000210202 [1,0,0,0,0,0|0,1,1]=3 206 B10R0.16 CCCCC(CC)CSCF 62a_100000211942_100015361967 [1,0,0,0,0,0|1,1,1]=4 207 B10R0.16 CCCCC(CC)CSCF 62a_100015361967_100000211942 [1,0,0,0,0,0|1,1,1]=4 208 B10R0.16 CCCCC(CC)NCCC 270004a_100020643023_100000753412 [1,0,0,0,0,0|2,0,0]=3 209 B10R0.16 CCCCC(CC)NCCF 34a_100000724931_200011216223 [1,0,0,0,0,0|3,0,0]=4 210 B10R0.16 CCCCC(CC)NCCO 270004a_100000210304_100000753412 [1,0,0,0,0,0|3,0,0]=4 211 B10R0.16 CCCCC(CC)NCCO 34a_100016990907_200011216223 [1,0,0,0,0,0|3,0,0]=4 212 B10R0.16 CCCCC(CC)OCCBr 34a_100000211926_200011216223 [1,0,0,0,0,0|3,0,0]=4 213 B10R0.16 CCCCC(CC)OCCC 34a_100000210258_200011216223 [1,0,0,0,0,0|2,0,0]=3 214 B10R0.16 CCCCC(CC)OCCC 34a_100011215227_100000210303 [1,0,0,0,0,0|2,0,0]=3 215 B10R0.16 CCCCC(CC)OCCC 7a_100011215227_100000210303 [1,0,0,0,0,0|2,0,0]=3 216 B10R0.16 CCCCC(CC)OCCF 34a_100011215227_100011217306 [1,0,0,0,0,0|3,0,0]=4 217 B10R0.16 CCCCC(CC)OCCF 7a_100011215227_100011217306 [1,0,0,0,0,0|3,0,0]=4 218 B10R0.16 CCCCC(CC)OCCN 34a_100000210304_200011216223 [1,0,0,0,0,0|3,0,0]=4 219 B10R0.16 CCCCC(CC)OCCO 34a_100011215227_100000211926 [1,0,0,0,0,0|3,0,0]=4 220 B10R0.16 CCCCC(CC)OCCO 7a_100011215227_100000211926 [1,0,0,0,0,0|3,0,0]=4 221 B10R0.16 CCCCC(CC)OCSC 34a_100011215227_100011218213 [1,0,0,0,0,0|3,0,0]=4 222 B10R0.16 CCCCC(CC)SCCC 62a_100000210303_200011216223 [1,0,0,0,0,0|2,0,0]=3 223 B10R0.16 CCCCC(CC)SCCC 62a_200011216223_100000210303 [1,0,0,0,0,0|2,0,0]=3 224 B10R0.16 CCCCC(CC)SCCF 62a_100011217306_200011216223 [1,0,0,0,0,0|3,0,0]=4 225 B10R0.16 CCCCC(CC)SCCF 62a_200011216223_100011217306 [1,0,0,0,0,0|3,0,0]=4 226 B10R0.16 CCCCC(CC)SCCO 62a_100000211926_200011216223 [1,0,0,0,0,0|3,0,0]=4 227 B10R0.16 CCCCC(CC)SCCO 62a_200011216223_100000211926 [1,0,0,0,0,0|3,0,0]=4 228 B10R0.16 CCCCC(CC)SCOC 62a_100000766300_200011216223 [1,0,0,0,0,0|3,0,0]=4 229 B10R0.16 CCCCC(CC)SCOC 62a_200011216223_100000766300 [1,0,0,0,0,0|3,0,0]=4 230 B10R0.16 CCCCC(CC)SCSC 62a_100011218213_200011216223 [1,0,0,0,0,0|3,0,0]=4 231 B10R0.16 CCCCC(CC)SCSC 62a_200011216223_100011218213 [1,0,0,0,0,0|3,0,0]=4 232 B10R0.16 CCCCC(CCCC)NC 2230a_200011995792_200000210301 [1,0,0,0,0,0|2,0,1]=4 233 B10R0.16 CCCCC(CCCC)NC 270004a_106832991635_100011218081 [1,0,0,0,0,0|2,0,1]=4 234 B10R0.16 CCCCC(CCCC)NC 34a_200011995792_200000210301 [1,0,0,0,0,0|2,0,1]=4 235 B10R0.16 CCCCC(CCCC)N[13CH3] 2230a_200011995792_200025704644 [1,0,0,0,0,0|2,0,1]=4 236 B10R0.16 CCCCC(CCCC)N[13CH3] 34a_200011995792_200025704644 [1,0,0,0,0,0|2,0,1]=4 237 B10R0.16 CCCCC(CCCC)OC 34a_200011215786_200000210301 [1,0,0,0,0,0|2,0,1]=4 238 B10R0.16 CCCCC(CCCC)OC 7a_200011215786_200000210301 [1,0,0,0,0,0|2,0,1]=4 239 B10R0.16 CCCCC(CCCC)O[13CH3] 34a_200011215786_200025704644 [1,0,0,0,0,0|2,0,1]=4 240 B10R0.16 CCCCC(CCCC)O[13CH3] 7a_200011215786_200025704644 [1,0,0,0,0,0|2,0,1]=4 241 B10R0.16 CCCCN(CC)CCCC 2230a_100000207695_100000210211 [1,0,0,0,0,0|2,0,1]=4 242 B10R0.16 CCCCN(CC)CCCC 2230a_100000684618_100000210202 [1,0,0,0,0,0|2,0,1]=4 243 B10R0.16 CCCCN(CC)CCCC 269982a_100000207695_100000210211 [1,0,0,0,0,0|2,0,1]=4 244 B10R0.16 CCCCN(CC)CCCC 269982a_100000684618_100000204670 [1,0,0,0,0,0|2,0,1]=4 245 B10R0.16 CCCCN(CC)COCC 269982a_100000207695_100000739092 [1,0,0,0,0,0|1,0,1]=3 246 B10R0.16 CCCC[C@@H](CO)NCCC 2230a_100011934283_100000210303 [1,0,0,0,0,0|3,0,0]=4 247 B10R0.16 CCCC[C@@H](CO)NCCC 34a_100011934283_100000210303 [1,0,0,0,0,0|3,0,0]=4 248 B10R0.16 CCCOC(CN)COCC 34a_102515437182_100000210303 [1,0,0,0,0,0|2,0,1]=4 249 B10R0.16 CCOCC(COCC)OC 34a_100000758971_200000210301 [1,0,0,0,0,0|2,0,1]=4 250 B10R0.16 CCOCC(COCC)OC 7a_100000758971_200000210301 [1,0,0,0,0,0|2,0,1]=4 251 B10R0.16 CCOCC(COCC)O[13CH3] 34a_100000758971_200025704644 [1,0,0,0,0,0|2,0,1]=4 252 B10R0.16 CCOCC(COCC)O[13CH3] 7a_100000758971_200025704644 [1,0,0,0,0,0|2,0,1]=4 253 B10R0.16 CCOCN(CC)CCOC 269982a_100000731262_100000739092 [1,0,0,0,0,0|2,0,1]=4 254 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [1,0,0,0,0,0|1,0,2]=4 255 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [1,0,0,0,0,0|1,0,2]=4 256 B10R0.19 C#CCNC(C)C(=O)OCC 34a_100000212058_100011216346 [1,0,0,0,0,0|1,0,2]=4 257 B10R0.19 C#CCOC(C)C(=O)OCC 34a_100000210247_100011216346 [1,0,0,0,0,0|1,0,2]=4 258 B10R0.19 C#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000038162 [1,0,0,0,0,0|1,0,2]=4 259 B10R0.19 C#CCSC(C)C(=O)OCC 62a_100000038162_100011216346 [1,0,0,0,0,0|1,0,2]=4 260 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [1,0,0,0,0,0|1,0,2]=4 261 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [1,0,0,0,0,0|1,0,2]=4 262 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [1,0,0,0,0,0|1,0,2]=4 263 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [1,0,0,0,0,0|1,0,2]=4 264 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [1,0,0,0,0,0|1,0,2]=4 265 B10R0.19 C=CCNC(C)C(=O)OCC 2230a_100020586998_100011215307 [1,0,0,0,0,0|1,0,2]=4 266 B10R0.19 C=CCOC(C)C(=O)OCC 34a_200000210373_100011216346 [1,0,0,0,0,0|1,0,2]=4 267 B10R0.19 C=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100015514636 [1,0,0,0,0,0|1,0,2]=4 268 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100000210623_100011216346 [1,0,0,0,0,0|1,0,2]=4 269 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100011216346_100000210623 [1,0,0,0,0,0|1,0,2]=4 270 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [1,0,0,0,0,0|1,0,1]=3 271 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [1,0,0,0,0,0|1,0,1]=3 272 B10R0.19 CC=CC(=O)N(C)CCCC 11a_100000207549_100000210699 [1,0,0,0,0,0|2,0,1]=4 273 B10R0.19 CC=CC(=O)N(C)CCCC 1626a_100000207549_100000210699 [1,0,0,0,0,0|2,0,1]=4 274 B10R0.19 CC=CC(=O)N(C)CCCC 240690a_100000207549_100000210699 [1,0,0,0,0,0|2,0,1]=4 275 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [1,0,0,0,0,0|1,0,2]=4 276 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [1,0,0,0,0,0|1,0,2]=4 277 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [1,0,0,0,0,0|1,0,2]=4 278 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [1,0,0,0,0,0|3,0,0]=4 279 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [1,0,0,0,0,0|3,0,0]=4 280 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [1,0,0,0,0,0|3,0,0]=4 281 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [1,0,0,0,0,0|3,0,0]=4 282 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [1,0,0,0,0,0|3,0,0]=4 283 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [1,0,0,0,0,0|3,0,0]=4 284 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [1,0,0,0,0,0|3,0,0]=4 285 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [1,0,0,0,0,0|3,0,0]=4 286 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [1,0,0,0,0,0|3,0,0]=4 287 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [1,0,0,0,0,0|3,0,0]=4 288 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [1,0,0,0,0,0|3,0,0]=4 289 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [1,0,0,0,0,0|2,0,1]=4 290 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [1,0,0,0,0,0|2,0,1]=4 291 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [1,0,0,0,0,0|2,0,1]=4 292 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [1,0,0,0,0,0|2,0,1]=4 293 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [1,0,0,0,0,0|2,0,1]=4 294 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [1,0,0,0,0,0|2,0,1]=4 295 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,0,0,0,0,0|1,0,0]=2 296 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,0,0,0,0,0|1,0,0]=2 297 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [1,0,0,0,0,0|2,0,0]=3 298 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [1,0,0,0,0,0|2,0,0]=3 299 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [1,0,0,0,0,0|2,0,0]=3 300 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [1,0,0,0,0,0|2,0,0]=3 301 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [1,0,0,0,0,0|2,0,0]=3 302 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [1,0,0,0,0,0|1,0,0]=2 303 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [1,0,0,0,0,0|1,0,0]=2 304 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [1,0,0,0,0,0|1,0,0]=2 305 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [1,0,0,0,0,0|2,0,0]=3 306 B10R0.19 CCCCC(C)N(C)CCC 2230a_100000747261_200011215066 [1,0,0,0,0,0|3,0,0]=4 307 B10R0.19 CCCCC(C)N(C)CCC 269982a_100000747261_200011215066 [1,0,0,0,0,0|3,0,0]=4 308 B10R0.19 CCCCC(C)N(C)CCC 270004a_100000747261_100000210087 [1,0,0,0,0,0|3,0,0]=4 309 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,0,0,0,0,0|2,0,0]=3 310 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [1,0,0,0,0,0|3,0,0]=4 311 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [1,0,0,0,0,0|3,0,0]=4 312 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [1,0,0,0,0,0|2,0,0]=3 313 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [1,0,0,0,0,0|2,0,0]=3 314 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [1,0,0,0,0,0|3,0,0]=4 315 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [1,0,0,0,0,0|2,0,0]=3 316 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [1,0,0,0,0,0|2,0,0]=3 317 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [1,0,0,0,0,0|2,0,0]=3 318 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [1,0,0,0,0,0|2,0,0]=3 319 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [1,0,0,0,0,0|3,0,0]=4 320 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [1,0,0,0,0,0|3,0,0]=4 321 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [1,0,0,0,0,0|3,0,0]=4 322 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [1,0,0,0,0,0|3,0,0]=4 323 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [1,0,0,0,0,0|3,0,0]=4 324 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [1,0,0,0,0,0|3,0,0]=4 325 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [1,0,0,0,0,0|3,0,0]=4 326 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [1,0,0,0,0,0|3,0,0]=4 327 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [1,0,0,0,0,0|3,0,0]=4 328 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [1,0,0,0,0,0|3,0,0]=4 329 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [1,0,0,0,0,0|3,0,0]=4 330 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [1,0,0,0,0,0|3,0,0]=4 331 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [1,0,0,0,0,0|3,0,0]=4 332 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [1,0,0,0,0,0|3,0,0]=4 333 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [1,0,0,0,0,0|3,0,0]=4 334 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [1,0,0,0,0,0|3,0,0]=4 335 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [1,0,0,0,0,0|3,0,0]=4 336 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [1,0,0,0,0,0|2,0,0]=3 337 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [1,0,0,0,0,0|2,0,0]=3 338 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [1,0,0,0,0,0|2,0,1]=4 339 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [1,0,0,0,0,0|2,0,1]=4 340 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [1,0,0,0,0,0|2,0,1]=4 341 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [1,0,0,0,0,0|2,0,0]=3 342 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [1,0,0,0,0,0|2,0,0]=3 343 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [1,0,0,0,0,0|1,1,0]=3 344 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [1,0,0,0,0,0|2,0,0]=3 345 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [1,0,0,0,0,0|1,0,0]=2 346 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [1,0,0,0,0,0|2,0,0]=3 347 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [1,0,0,0,0,0|1,0,0]=2 348 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [1,0,0,0,0,0|2,0,0]=3 349 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [1,0,0,0,0,0|2,0,0]=3 350 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [1,0,0,0,0,0|1,0,0]=2 351 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [1,0,0,0,0,0|1,0,0]=2 352 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [1,0,0,0,0,0|2,0,0]=3 353 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [1,0,0,0,0,0|2,0,0]=3 354 B10R0.19 CCNC(=O)C(C)NCCF 2230a_100000736553_100011217306 [1,0,0,0,0,0|3,0,0]=4 355 B10R0.19 CCNC(=O)C(C)NCCF 34a_100000724931_100000230173 [1,0,0,0,0,0|3,0,0]=4 356 B10R0.19 CCNC(=O)C(C)NCCF 34a_100000736553_100011217306 [1,0,0,0,0,0|3,0,0]=4 357 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100000736553_100000211926 [1,0,0,0,0,0|3,0,0]=4 358 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100016997473_100000230173 [1,0,0,0,0,0|3,0,0]=4 359 B10R0.19 CCNC(=O)C(C)NCCO 34a_100000736553_100000211926 [1,0,0,0,0,0|3,0,0]=4 360 B10R0.19 CCNC(=O)C(C)NCCO 34a_100016990907_100000230173 [1,0,0,0,0,0|3,0,0]=4 361 B10R0.19 CCNC(=O)C(C)NCOC 2230a_100000736553_100000766300 [1,0,0,0,0,0|3,0,0]=4 362 B10R0.19 CCNC(=O)C(C)NCSC 2230a_100000736553_100011218213 [1,0,0,0,0,0|3,0,0]=4 363 B10R0.19 CCNC(=O)C(C)NCSC 34a_100000736553_100011218213 [1,0,0,0,0,0|3,0,0]=4 364 B10R0.19 CCNC(=O)C(C)OCCBr 34a_100000211926_100000230173 [1,0,0,0,0,0|3,0,0]=4 365 B10R0.19 CCNC(=O)C(C)OCCN 34a_100000210304_100000230173 [1,0,0,0,0,0|3,0,0]=4 366 B10R0.19 CCNC(=O)C(C)SCCF 62a_100000230173_100011217306 [1,0,0,0,0,0|3,0,0]=4 367 B10R0.19 CCNC(=O)C(C)SCCF 62a_100011217306_100000230173 [1,0,0,0,0,0|3,0,0]=4 368 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000211926_100000230173 [1,0,0,0,0,0|3,0,0]=4 369 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000230173_100000211926 [1,0,0,0,0,0|3,0,0]=4 370 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000230173_100000766300 [1,0,0,0,0,0|3,0,0]=4 371 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000766300_100000230173 [1,0,0,0,0,0|3,0,0]=4 372 B10R0.19 CCNC(=O)C(C)SCSC 62a_100000230173_100011218213 [1,0,0,0,0,0|3,0,0]=4 373 B10R0.19 CCNC(=O)C(C)SCSC 62a_100011218213_100000230173 [1,0,0,0,0,0|3,0,0]=4 374 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [1,0,0,0,0,0|3,0,0]=4 375 B10R0.19 CCNC(=O)N(C)CCCO 2708a_100015525214_100000213112 [1,0,0,0,0,0|3,0,0]=4 376 B10R0.19 CCNC(=O)N(C)CCCO 273464a_100015525214_100000213112 [1,0,0,0,0,0|3,0,0]=4 377 B10R0.19 CCNC(=O)N(C)CCOC 2708a_100015525214_100000743101 [1,0,0,0,0,0|3,0,0]=4 378 B10R0.19 CCNC(=O)N(C)CCOC 273464a_100015525214_100000743101 [1,0,0,0,0,0|3,0,0]=4 379 B10R0.19 CCNC(=O)N(C)CCSC 2708a_100015525214_100000686725 [1,0,0,0,0,0|3,0,0]=4 380 B10R0.19 CCNC(=O)N(C)CCSC 273464a_100015525214_100000686725 [1,0,0,0,0,0|3,0,0]=4 381 B10R0.19 CCNN=C(C)C(=O)OCC 4a_100000756455_100000209952 [1,0,0,0,0,0|2,0,1]=4 382 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [1,0,0,0,0,0|2,0,1]=4 383 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [1,0,0,0,0,0|2,0,1]=4 384 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [1,0,0,0,0,0|2,0,0]=3 385 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [1,0,0,0,0,0|2,0,0]=3 386 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [1,0,0,0,0,0|2,0,0]=3 387 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [1,0,0,0,0,0|2,0,0]=3 388 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [1,0,0,0,0,0|2,0,0]=3 389 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011215382_100011216346 [1,0,0,0,0,0|2,0,1]=4 390 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011216346_100011215382 [1,0,0,0,0,0|2,0,1]=4 391 B10R0.19 CCOC(=O)C(C)SCC=O 62a_100011216346_200015260668 [1,0,0,0,0,0|2,0,1]=4 392 B10R0.19 CCOC(=O)C(C)SCC=O 62a_200015260668_100011216346 [1,0,0,0,0,0|2,0,1]=4 393 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [1,0,0,0,0,0|2,0,0]=3 394 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [1,0,0,0,0,0|2,0,0]=3 395 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [1,0,0,0,0,0|2,0,0]=3 396 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [1,0,0,0,0,0|2,0,0]=3 397 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [1,0,0,0,0,0|2,0,0]=3 398 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [1,0,0,0,0,0|2,0,0]=3 399 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [1,0,0,0,0,0|2,0,0]=3 400 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [1,0,0,0,0,0|2,0,0]=3 401 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [1,0,0,0,0,0|3,0,0]=4 402 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [1,0,0,0,0,0|3,0,0]=4 403 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [1,0,0,0,0,0|3,0,0]=4 404 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [1,0,0,0,0,0|3,0,0]=4 405 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [1,0,0,0,0,0|3,0,0]=4 406 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [1,0,0,0,0,0|3,0,0]=4 407 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [1,0,0,0,0,0|3,0,0]=4 408 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [1,0,0,0,0,0|3,0,0]=4 409 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [1,0,0,0,0,0|3,0,0]=4 410 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [1,0,0,0,0,0|3,0,0]=4 411 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [1,0,0,0,0,0|3,0,0]=4 412 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [1,0,0,0,0,0|3,0,0]=4 413 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [1,0,0,0,0,0|3,0,0]=4 414 B10R0.19 CCOC(=O)[C@H](C)OCC#N 7a_100000751109_100011215382 [1,0,0,0,0,0|2,0,1]=4 415 B10R0.19 CCOC(=O)[C@H](C)OCC=O 7a_100000751109_200015260668 [1,0,0,0,0,0|2,0,1]=4 416 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [1,0,0,0,0,0|2,0,0]=3 417 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [1,0,0,0,0,0|2,0,0]=3 418 B10R0.19 CCSC(=O)[C@H](C)NCCF 2230a_100103168634_100011217306 [1,0,0,0,0,0|2,1,0]=4 419 B10R0.19 CCSC(=O)[C@H](C)NCCO 2230a_100103168634_100000211926 [1,0,0,0,0,0|2,1,0]=4 420 B10R0.19 CCSC(=O)[C@H](C)NCOC 2230a_100103168634_100000766300 [1,0,0,0,0,0|2,1,0]=4 421 B10R0.19 CCSC(=O)[C@H](C)NCSC 2230a_100103168634_100011218213 [1,0,0,0,0,0|2,1,0]=4 422 B10R0.33 C#CCC(=O)C(CC)CCC 1458a_100011220946_100011219200 [1,0,0,0,0,0|1,0,2]=4 423 B10R0.33 C#CCC(=O)C(CC)CCC 1458a_100011416436_100000184674 [1,0,0,0,0,0|1,0,2]=4 424 B10R0.33 C=CCC(=O)C(CC)CCC 1458a_100000210193_100011219200 [1,0,0,0,0,0|1,0,2]=4 425 B10R0.33 C=CCC(=O)C(CC)CCC 1458a_100011416436_100000210623 [1,0,0,0,0,0|1,0,2]=4 426 B10R0.33 CC#CC(=O)C(CC)CCC 1458a_100000763181_100011219200 [1,0,0,0,0,0|1,0,1]=3 427 B10R0.33 CC=CC(=O)C(CC)CCC 1458a_100000210699_100011219200 [1,0,0,0,0,0|1,0,1]=3 428 B10R0.33 CC=CC(=O)N(CC)CCC 11a_100000226822_100000210699 [1,0,0,0,0,0|2,0,1]=4 429 B10R0.33 CC=CC(=O)N(CC)CCC 1626a_100000226822_100000210699 [1,0,0,0,0,0|2,0,1]=4 430 B10R0.33 CC=CC(=O)N(CC)CCC 240690a_100000226822_100000210699 [1,0,0,0,0,0|2,0,1]=4 431 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [1,0,0,0,0,0|1,0,0]=2 432 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [1,0,0,0,0,0|1,0,0]=2 433 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [1,0,0,0,0,0|2,0,0]=3 434 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [1,0,0,0,0,0|2,0,0]=3 435 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [1,0,0,0,0,0|2,0,0]=3 436 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [1,0,0,0,0,0|2,0,0]=3 437 B10R0.33 CCCC(=O)N(CC)CCC 11a_100000226822_100000211992 [1,0,0,0,0,0|2,0,0]=3 438 B10R0.33 CCCC(=O)N(CC)CCC 1626a_100000226822_100000211992 [1,0,0,0,0,0|2,0,0]=3 439 B10R0.33 CCCC(=O)N(CC)CCC 240690a_100000226822_100000211992 [1,0,0,0,0,0|2,0,0]=3 440 B10R0.33 CCCC(=O)N(CC)CCC 527a_100000226822_100000211992 [1,0,0,0,0,0|2,0,0]=3 441 B10R0.33 CCCC(=O)N(CC)CCO 240690a_100000210973_100000211992 [1,0,0,0,0,0|3,0,0]=4 442 B10R0.33 CCCC(=O)N(CC)CCO 527a_100000210973_100000211992 [1,0,0,0,0,0|3,0,0]=4 443 B10R0.33 CCCC(CC)C(=O)C=CBr 1458a_100016273825_100011219200 [1,0,0,0,0,0|2,0,1]=4 444 B10R0.33 CCCC(CC)C(=O)C=CCl 1458a_200016279998_100011219200 [1,0,0,0,0,0|2,0,1]=4 445 B10R0.33 CCCC(CC)C(=O)C=CI 1458a_100016256311_100011219200 [1,0,0,0,0,0|2,0,1]=4 446 B10R0.33 CCCC(CC)C(=O)CC#N 1458a_100011416436_100011214920 [1,0,0,0,0,0|2,0,1]=4 447 B10R0.33 CCCC(CC)C(=O)CC#N 1458a_100051588842_100011219200 [1,0,0,0,0,0|2,0,1]=4 448 B10R0.33 CCCC(CC)C(=O)CCF 1458a_100011416436_100011217306 [1,0,0,0,0,0|2,0,0]=3 449 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011216618_100011219200 [1,0,0,0,0,0|2,0,0]=3 450 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011416436_100000211926 [1,0,0,0,0,0|2,0,0]=3 451 B10R0.33 CCCC(CC)C(=O)COC 1458a_100000210968_100011219200 [1,0,0,0,0,0|2,0,0]=3 452 B10R0.33 CCCC(CC)C(=O)CSC 1458a_100000184570_100011219200 [1,0,0,0,0,0|2,0,0]=3 453 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [1,0,0,0,0,0|1,0,0]=2 454 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [1,0,0,0,0,0|1,0,0]=2 455 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [1,0,0,0,0,0|1,0,0]=2 456 B10R0.33 CCCC(CC)C(=O)NNC 22a_100016993582_100011416436 [1,0,0,0,0,0|2,0,0]=3 457 B10R0.33 CCCC(CC)N(C)CCC 269982a_100000747261_100011219200 [1,0,0,0,0,0|3,0,0]=4 458 B10R0.33 CCCC(CC)N(C)CCC 270004a_100000747261_100000687865 [1,0,0,0,0,0|3,0,0]=4 459 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [1,0,0,0,0,0|1,0,0]=2 460 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [1,0,0,0,0,0|1,0,0]=2 461 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [1,0,0,0,0,0|1,0,0]=2 462 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [1,0,0,0,0,0|1,0,0]=2 463 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [1,0,0,0,0,0|1,0,0]=2 464 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [1,0,0,0,0,0|1,0,0]=2 465 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [1,0,0,0,0,0|1,0,0]=2 466 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [1,0,0,0,0,0|1,0,0]=2 467 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [1,0,0,0,0,0|1,0,0]=2 468 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [1,0,0,0,0,0|1,0,0]=2 469 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [1,0,0,0,0,0|1,0,0]=2 470 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [1,0,0,0,0,0|1,0,0]=2 471 B10R0.33 CCCN(CC)C(=O)CCO 240690a_100000226822_100011216618 [1,0,0,0,0,0|3,0,0]=4 472 B10R0.33 CCCN(CC)C(=O)COC 11a_100000226822_100000210968 [1,0,0,0,0,0|3,0,0]=4 473 B10R0.33 CCCN(CC)C(=O)COC 1626a_100000226822_100000210968 [1,0,0,0,0,0|3,0,0]=4 474 B10R0.33 CCCN(CC)C(=O)COC 240690a_100000226822_100000210968 [1,0,0,0,0,0|3,0,0]=4 475 B10R0.33 CCCN(CC)C(=O)COC 527a_100000226822_100000210968 [1,0,0,0,0,0|3,0,0]=4 476 B10R0.33 CCCN(CC)C(=O)CSC 11a_100000226822_100000184570 [1,0,0,0,0,0|3,0,0]=4 477 B10R0.33 CCCN(CC)C(=O)CSC 1626a_100000226822_100000184570 [1,0,0,0,0,0|3,0,0]=4 478 B10R0.33 CCCN(CC)C(=O)CSC 240690a_100000226822_100000184570 [1,0,0,0,0,0|3,0,0]=4 479 B10R0.33 CCCN(CC)C(=O)CSC 527a_100000226822_100000184570 [1,0,0,0,0,0|3,0,0]=4 480 B10R0.33 CCCN(CC)C(=O)NCC 2708a_100015525214_100000226822 [1,0,0,0,0,0|2,0,0]=3 481 B10R0.33 CCCN(CC)C(=O)NCC 273464a_100015525214_100000226822 [1,0,0,0,0,0|2,0,0]=3 482 B10R0.33 CCNC(=O)N(CC)CCO 2708a_100015525214_100000210973 [1,0,0,0,0,0|3,0,0]=4 483 B10R0.33 CCNC(=O)N(CC)CCO 273464a_100015525214_100000210973 [1,0,0,0,0,0|3,0,0]=4 484 B10R0.33 CCNC(CC)C(=O)OCC 2230a_100015525214_100000212269 [1,0,0,0,0,0|1,0,0]=2 485 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [1,0,0,0,0,0|2,0,1]=4 486 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [1,0,0,0,0,0|2,0,1]=4 487 B10R0.33 CCOC(=O)C(CC)OCC 34a_100011216719_100000210202 [1,0,0,0,0,0|1,0,0]=2 488 B10R0.33 CCOC(=O)C(CC)OCC 34a_100121572206_100000212269 [1,0,0,0,0,0|1,0,0]=2 489 B10R0.33 CCOC(=O)C(CC)OCC 7a_100011216719_100000210202 [1,0,0,0,0,0|1,0,0]=2 490 B10R0.33 CCOC(=O)C(CC)OCF 34a_100011216719_100015361967 [1,0,0,0,0,0|2,0,0]=3 491 B10R0.33 CCOC(=O)C(CC)OCF 7a_100011216719_100015361967 [1,0,0,0,0,0|2,0,0]=3 492 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000210202_100000212269 [1,0,0,0,0,0|1,0,0]=2 493 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000212269_100000210202 [1,0,0,0,0,0|1,0,0]=2 494 B10R0.33 CCOC(=O)C(CC)SCF 62a_100000212269_100015361967 [1,0,0,0,0,0|2,0,0]=3 495 B10R0.33 CCOC(=O)C(CC)SCF 62a_100015361967_100000212269 [1,0,0,0,0,0|2,0,0]=3 496 B10R0.33 CCOC(=O)C(NC)OCC 34a_100102657272_100000033883 [1,0,0,0,0,0|2,0,0]=3 497 B10R0.33 CCOC(=O)C(OC)OCC 34a_100138415774_100000033883 [1,0,0,0,0,0|2,0,0]=3 498 B10R0.33 CCOC(=O)C(OCC)SC 34a_100121572206_100009893047 [1,0,0,0,0,0|2,0,0]=3 499 B10R0.33 CCOC(=O)C(OCC)SC 62a_100000033883_200000210301 [1,0,0,0,0,0|2,0,0]=3 500 B10R0.33 CCOC(=O)C(OCC)SC 62a_200000210301_100000033883 [1,0,0,0,0,0|2,0,0]=3 501 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_100000033883_200025704644 [1,0,0,0,0,0|2,0,0]=3 502 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_200025704644_100000033883 [1,0,0,0,0,0|2,0,0]=3 503 B10R0.33 CCOC(=O)C(SC)SCC 62a_100000210202_100009893047 [1,0,0,0,0,0|2,0,0]=3 504 B10R0.33 CCOC(=O)C(SC)SCC 62a_100009893047_100000210202 [1,0,0,0,0,0|2,0,0]=3 505 B10R0.33 CCOC(=O)C(SC)SCF 62a_100009893047_100015361967 [1,0,0,0,0,0|3,0,0]=4 506 B10R0.33 CCOC(=O)C(SC)SCF 62a_100015361967_100009893047 [1,0,0,0,0,0|3,0,0]=4 507 B10R0.85 C#CC(=O)C(CC)CCCC 1458a_100000211873_200011216223 [1,0,0,0,0,0|0,0,2]=3 508 B10R0.85 C#CCNC(CC)C(=O)OC 34a_100000212058_100000235869 [1,0,0,0,0,0|1,0,2]=4 509 B10R0.85 C#CCOC(CC)C(=O)CC 34a_200011218131_100000184674 [1,0,0,0,0,0|1,0,2]=4 510 B10R0.85 C#CCOC(CC)C(=O)CC 7a_200011218131_100000038162 [1,0,0,0,0,0|1,0,2]=4 511 B10R0.85 C#CCOC(CC)C(=O)OC 34a_100000210247_100000235869 [1,0,0,0,0,0|1,0,2]=4 512 B10R0.85 C#CCOC(CC)C(=O)OC 34a_100000695916_100000184674 [1,0,0,0,0,0|1,0,2]=4 513 B10R0.85 C#CCOC(CC)C(=O)OC 7a_100000695916_100000038162 [1,0,0,0,0,0|1,0,2]=4 514 B10R0.85 C#CCSC(CC)C(=O)OC 62a_100000038162_100000235869 [1,0,0,0,0,0|1,0,2]=4 515 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [1,0,0,0,0,0|0,0,2]=3 516 B10R0.85 C=CC(=O)N(CC)CCCC 1626a_100000207695_100000185746 [1,0,0,0,0,0|1,0,2]=4 517 B10R0.85 C=CC(=O)N(CC)CCCC 240690a_100000207695_200121576911 [1,0,0,0,0,0|1,0,2]=4 518 B10R0.85 C=CCNC(CC)C(=O)OC 2230a_100020586998_100000235869 [1,0,0,0,0,0|1,0,2]=4 519 B10R0.85 C=CCOC(CC)C(=O)CC 34a_200011218131_100015514636 [1,0,0,0,0,0|1,0,2]=4 520 B10R0.85 C=CCOC(CC)C(=O)CC 7a_200011218131_100015514636 [1,0,0,0,0,0|1,0,2]=4 521 B10R0.85 C=CCOC(CC)C(=O)OC 34a_100000695916_100015514636 [1,0,0,0,0,0|1,0,2]=4 522 B10R0.85 C=CCOC(CC)C(=O)OC 34a_200000210373_100000235869 [1,0,0,0,0,0|1,0,2]=4 523 B10R0.85 C=CCOC(CC)C(=O)OC 7a_100000695916_100015514636 [1,0,0,0,0,0|1,0,2]=4 524 B10R0.85 C=CCSC(CC)C(=O)OC 62a_100000210623_100000235869 [1,0,0,0,0,0|1,0,2]=4 525 B10R0.85 C=CCSC(CC)C(=O)OC 62a_100000235869_100000210623 [1,0,0,0,0,0|1,0,2]=4 526 B10R0.85 CCC(=O)C(CC)OCC#N 7a_200011218131_100011215382 [1,0,0,0,0,0|2,0,1]=4 527 B10R0.85 CCC(=O)C(CC)OCC=O 34a_200011218131_200009817547 [1,0,0,0,0,0|2,0,1]=4 528 B10R0.85 CCC(=O)C(CC)OCC=O 7a_200011218131_200015260668 [1,0,0,0,0,0|2,0,1]=4 529 B10R0.85 CCC(=O)C(CC)OCCF 34a_200011218131_100011217306 [1,0,0,0,0,0|2,0,0]=3 530 B10R0.85 CCC(=O)C(CC)OCCF 7a_200011218131_100011217306 [1,0,0,0,0,0|2,0,0]=3 531 B10R0.85 CCC(=O)C(CC)OCCO 34a_200011218131_100000211926 [1,0,0,0,0,0|2,0,0]=3 532 B10R0.85 CCC(=O)C(CC)OCCO 7a_200011218131_100000211926 [1,0,0,0,0,0|2,0,0]=3 533 B10R0.85 CCC(=O)C(CC)OCSC 34a_200011218131_100011218213 [1,0,0,0,0,0|2,0,0]=3 534 B10R0.85 CCC(=O)N(CC)CCC#N 11a_100000226048_100000210414 [1,0,0,0,0,0|2,0,1]=4 535 B10R0.85 CCC(=O)N(CC)CCC#N 1626a_100000226048_100000210414 [1,0,0,0,0,0|2,0,1]=4 536 B10R0.85 CCC(=O)N(CC)CCC#N 240690a_100000226048_100000210414 [1,0,0,0,0,0|2,0,1]=4 537 B10R0.85 CCC(=O)N(CC)CCC#N 527a_100000226048_100000210414 [1,0,0,0,0,0|2,0,1]=4 538 B10R0.85 CCC(=O)N(CC)CCOC 11a_100000731262_100000210414 [1,0,0,0,0,0|2,0,0]=3 539 B10R0.85 CCC(=O)N(CC)CCOC 1626a_100000731262_100000210414 [1,0,0,0,0,0|2,0,0]=3 540 B10R0.85 CCC(=O)N(CC)CCOC 240690a_100000731262_100000210414 [1,0,0,0,0,0|2,0,0]=3 541 B10R0.85 CCC(=O)N(CC)CCOC 527a_100000731262_100000210414 [1,0,0,0,0,0|2,0,0]=3 542 B10R0.85 CCC(NCCF)C(=O)OC 34a_100000724931_100000235869 [1,0,0,0,0,0|2,0,0]=3 543 B10R0.85 CCC(NCCO)C(=O)OC 2230a_100016997473_100000235869 [1,0,0,0,0,0|2,0,0]=3 544 B10R0.85 CCC(NCCO)C(=O)OC 34a_100016990907_100000235869 [1,0,0,0,0,0|2,0,0]=3 545 B10R0.85 CCC(OCC#N)C(=O)OC 7a_100000695916_100011215382 [1,0,0,0,0,0|2,0,1]=4 546 B10R0.85 CCC(OCC=O)C(=O)OC 34a_100000695916_200009817547 [1,0,0,0,0,0|2,0,1]=4 547 B10R0.85 CCC(OCC=O)C(=O)OC 7a_100000695916_200015260668 [1,0,0,0,0,0|2,0,1]=4 548 B10R0.85 CCC(OCCBr)C(=O)OC 34a_100000211926_100000235869 [1,0,0,0,0,0|2,0,0]=3 549 B10R0.85 CCC(OCCF)C(=O)OC 34a_100000695916_100011217306 [1,0,0,0,0,0|2,0,0]=3 550 B10R0.85 CCC(OCCF)C(=O)OC 7a_100000695916_100011217306 [1,0,0,0,0,0|2,0,0]=3 551 B10R0.85 CCC(OCCN)C(=O)OC 34a_100000210304_100000235869 [1,0,0,0,0,0|2,0,0]=3 552 B10R0.85 CCC(OCCO)C(=O)OC 34a_100000695916_100000211926 [1,0,0,0,0,0|2,0,0]=3 553 B10R0.85 CCC(OCCO)C(=O)OC 7a_100000695916_100000211926 [1,0,0,0,0,0|2,0,0]=3 554 B10R0.85 CCC(OCSC)C(=O)OC 34a_100000695916_100011218213 [1,0,0,0,0,0|2,0,0]=3 555 B10R0.85 CCC(SCC#N)C(=O)OC 62a_100000235869_100011215382 [1,0,0,0,0,0|2,0,1]=4 556 B10R0.85 CCC(SCC#N)C(=O)OC 62a_100011215382_100000235869 [1,0,0,0,0,0|2,0,1]=4 557 B10R0.85 CCC(SCC=O)C(=O)OC 62a_100000235869_200015260668 [1,0,0,0,0,0|2,0,1]=4 558 B10R0.85 CCC(SCC=O)C(=O)OC 62a_200015260668_100000235869 [1,0,0,0,0,0|2,0,1]=4 559 B10R0.85 CCC(SCCF)C(=O)OC 62a_100000235869_100011217306 [1,0,0,0,0,0|2,0,0]=3 560 B10R0.85 CCC(SCCF)C(=O)OC 62a_100011217306_100000235869 [1,0,0,0,0,0|2,0,0]=3 561 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000211926_100000235869 [1,0,0,0,0,0|2,0,0]=3 562 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000235869_100000211926 [1,0,0,0,0,0|2,0,0]=3 563 B10R0.85 CCC(SCOC)C(=O)OC 62a_100000235869_100000766300 [1,0,0,0,0,0|2,0,0]=3 564 B10R0.85 CCC(SCOC)C(=O)OC 62a_100000766300_100000235869 [1,0,0,0,0,0|2,0,0]=3 565 B10R0.85 CCC(SCSC)C(=O)OC 62a_100000235869_100011218213 [1,0,0,0,0,0|2,0,0]=3 566 B10R0.85 CCC(SCSC)C(=O)OC 62a_100011218213_100000235869 [1,0,0,0,0,0|2,0,0]=3 567 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [1,0,0,0,0,0|0,0,0]=1 568 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [1,0,0,0,0,0|0,0,0]=1 569 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [1,0,0,0,0,0|1,0,0]=2 570 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [1,0,0,0,0,0|1,0,0]=2 571 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [1,0,0,0,0,0|1,0,0]=2 572 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [1,0,0,0,0,0|1,0,0]=2 573 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [1,0,0,0,0,0|1,0,0]=2 574 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [1,0,0,0,0,0|1,0,0]=2 575 B10R0.85 CCCCC(CC)C(C)OC 34a_200011290779_200000210301 [1,0,0,0,0,0|1,0,1]=3 576 B10R0.85 CCCCC(CC)C(C)OC 7a_200011290779_200000210301 [1,0,0,0,0,0|1,0,1]=3 577 B10R0.85 CCCCC(CC)C(C)O[13CH3] 34a_200011290779_200025704644 [1,0,0,0,0,0|1,0,1]=3 578 B10R0.85 CCCCC(CC)C(C)O[13CH3] 7a_200011290779_200025704644 [1,0,0,0,0,0|1,0,1]=3 579 B10R0.85 CCCCC(CC)N(C)CC 269982a_100000225621_200011216223 [1,0,0,0,0,0|2,0,0]=3 580 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [1,0,0,0,0,0|1,0,0]=2 581 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [1,0,0,0,0,0|1,0,0]=2 582 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [1,0,0,0,0,0|1,0,0]=2 583 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [1,0,0,0,0,0|1,0,0]=2 584 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [1,0,0,0,0,0|1,0,0]=2 585 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [1,0,0,0,0,0|1,0,0]=2 586 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [1,0,0,0,0,0|1,0,0]=2 587 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [1,0,0,0,0,0|1,0,0]=2 588 B10R0.85 CCCCN(CC)C(=O)CC 11a_100000207695_100000210414 [1,0,0,0,0,0|1,0,0]=2 589 B10R0.85 CCCCN(CC)C(=O)CC 1626a_100000207695_100000210414 [1,0,0,0,0,0|1,0,0]=2 590 B10R0.85 CCCCN(CC)C(=O)CC 240690a_100000207695_100000210414 [1,0,0,0,0,0|1,0,0]=2 591 B10R0.85 CCCCN(CC)C(=O)CC 527a_100000207695_100000210414 [1,0,0,0,0,0|1,0,0]=2 592 B10R0.85 CCCCN(CC)C(=O)CO 240690a_100000207695_100000210174 [1,0,0,0,0,0|2,0,0]=3 593 B10R0.85 CCCCN(CC)C(=O)CO 527a_100000207695_100000210174 [1,0,0,0,0,0|2,0,0]=3 594 B10R0.85 CCCCN(CC)C(=O)NC 2708a_100102657272_100000207695 [1,0,0,0,0,0|2,0,0]=3 595 B10R0.85 CCCCN(CC)C(=O)NC 273464a_100102657272_100000207695 [1,0,0,0,0,0|2,0,0]=3 596 B10R0.85 CCCCN(CC)C(C)CC 2230a_100000207357_100000210202 [1,0,0,0,0,0|2,0,1]=4 597 B10R0.85 CCCCN(CC)C(C)CC 2230a_100000207695_100000758301 [1,0,0,0,0,0|2,0,1]=4 598 B10R0.85 CCCCN(CC)C(C)CC 2230a_100000732650_100000210211 [1,0,0,0,0,0|2,0,1]=4 599 B10R0.85 CCCCN(CC)C(C)CC 269982a_100000207357_100000204670 [1,0,0,0,0,0|2,0,1]=4 600 B10R0.85 CCCCN(CC)C(C)CC 269982a_100000207695_100000758301 [1,0,0,0,0,0|2,0,1]=4 601 B10R0.85 CCCCN(CC)C(C)CC 269982a_100000732650_100000210211 [1,0,0,0,0,0|2,0,1]=4 602 B10R0.85 CCCCN(CC)C(C)OC 269982a_100000207695_100009879195 [1,0,0,0,0,0|2,0,1]=4 603 B10R0.85 CCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210303 [1,0,0,0,0,0|2,0,0]=3 604 B10R0.85 CCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210303 [1,0,0,0,0,0|2,0,0]=3 605 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [1,0,0,0,0,0|2,0,1]=4 606 B10R0.85 CCCOC(CC)C(=O)CC 34a_200011218131_100000210303 [1,0,0,0,0,0|1,0,0]=2 607 B10R0.85 CCCOC(CC)C(=O)CC 7a_200011218131_100000210303 [1,0,0,0,0,0|1,0,0]=2 608 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [1,0,0,0,0,0|1,0,0]=2 609 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [1,0,0,0,0,0|1,0,0]=2 610 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [1,0,0,0,0,0|1,0,0]=2 611 B10R0.85 CCCOC(CN)C(=O)OC 34a_100000695228_100000210303 [1,0,0,0,0,0|2,0,0]=3 612 B10R0.85 CCCOC(CO)C(=O)OC 34a_100000210258_100012276630 [1,0,0,0,0,0|2,0,0]=3 613 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000036821_100000210303 [1,0,0,0,0,0|2,0,0]=3 614 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000210258_100000101307 [1,0,0,0,0,0|2,0,0]=3 615 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [1,0,0,0,0,0|2,0,1]=4 616 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [1,0,0,0,0,0|2,0,1]=4 617 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [1,0,0,0,0,0|1,0,0]=2 618 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [1,0,0,0,0,0|1,0,0]=2 619 B10R0.85 CCCSC(CO)C(=O)OC 62a_100000210303_100012276630 [1,0,0,0,0,0|2,0,0]=3 620 B10R0.85 CCCSC(CO)C(=O)OC 62a_100012276630_100000210303 [1,0,0,0,0,0|2,0,0]=3 621 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000101307_100000210303 [1,0,0,0,0,0|2,0,0]=3 622 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000210303_100000101307 [1,0,0,0,0,0|2,0,0]=3 623 B10R0.85 CCN(CCOC)C(=O)CO 240690a_100000731262_100000210174 [1,0,0,0,0,0|3,0,0]=4 624 B10R0.85 CCN(CCOC)C(=O)CO 527a_100000731262_100000210174 [1,0,0,0,0,0|3,0,0]=4 625 B10R0.85 CCN(CCOC)C(=O)NC 2708a_100102657272_100000731262 [1,0,0,0,0,0|3,0,0]=4 626 B10R0.85 CCN(CCOC)C(=O)NC 273464a_100102657272_100000731262 [1,0,0,0,0,0|3,0,0]=4 627 B10R0.85 CCNN=C(CC)C(=O)OC 4a_100000756455_100000688641 [1,0,0,0,0,0|2,0,1]=4 628 B10R0.85 CC[C@H](NCCF)C(=O)NC 2230a_106657271573_100011217306 [1,0,0,0,0,0|3,0,0]=4 629 B10R0.85 CC[C@H](NCCF)C(=O)NC 34a_106657271573_100011217306 [1,0,0,0,0,0|3,0,0]=4 630 B10R0.85 CC[C@H](NCCO)C(=O)NC 2230a_106657271573_100000211926 [1,0,0,0,0,0|3,0,0]=4 631 B10R0.85 CC[C@H](NCCO)C(=O)NC 34a_106657271573_100000211926 [1,0,0,0,0,0|3,0,0]=4 632 B10R0.85 CC[C@H](NCOC)C(=O)NC 2230a_106657271573_100000766300 [1,0,0,0,0,0|3,0,0]=4 633 B10R0.85 CC[C@H](NCSC)C(=O)NC 2230a_106657271573_100011218213 [1,0,0,0,0,0|3,0,0]=4 634 B10R0.85 CC[C@H](NCSC)C(=O)NC 34a_106657271573_100011218213 [1,0,0,0,0,0|3,0,0]=4 635 B10R0.85 COC(=O)C(CN)OCCF 34a_100000695228_100011217306 [1,0,0,0,0,0|3,0,0]=4 636 B10R0.85 COC(=O)C(CN)OCCO 34a_100000695228_100000211926 [1,0,0,0,0,0|3,0,0]=4 637 B10R0.85 COC(=O)C(CN)OCSC 34a_100000695228_100011218213 [1,0,0,0,0,0|3,0,0]=4 638 B10R0.85 COC(=O)C(CO)NCCF 34a_100000724931_100012276630 [1,0,0,0,0,0|3,0,0]=4 639 B10R0.85 COC(=O)C(CO)NCCO 34a_100016990907_100012276630 [1,0,0,0,0,0|3,0,0]=4 640 B10R0.85 COC(=O)C(CO)OCCBr 34a_100000211926_100012276630 [1,0,0,0,0,0|3,0,0]=4 641 B10R0.85 COC(=O)C(CO)OCCN 34a_100000210304_100012276630 [1,0,0,0,0,0|3,0,0]=4 642 B10R0.85 COC(=O)C(CO)SCCF 62a_100011217306_100012276630 [1,0,0,0,0,0|3,0,0]=4 643 B10R0.85 COC(=O)C(CO)SCCF 62a_100012276630_100011217306 [1,0,0,0,0,0|3,0,0]=4 644 B10R0.85 COC(=O)C(CO)SCCO 62a_100000211926_100012276630 [1,0,0,0,0,0|3,0,0]=4 645 B10R0.85 COC(=O)C(CO)SCCO 62a_100012276630_100000211926 [1,0,0,0,0,0|3,0,0]=4 646 B10R0.85 COC(=O)C(CO)SCSC 62a_100011218213_100012276630 [1,0,0,0,0,0|3,0,0]=4 647 B10R0.85 COC(=O)C(CO)SCSC 62a_100012276630_100011218213 [1,0,0,0,0,0|3,0,0]=4 648 B10R0.85 COC(=O)C(NCCF)OC 34a_100000724931_100000101307 [1,0,0,0,0,0|3,0,0]=4 649 B10R0.85 COC(=O)C(NCCO)OC 34a_100016990907_100000101307 [1,0,0,0,0,0|3,0,0]=4 650 B10R0.85 COC(=O)C(OC)OCCBr 34a_100000211926_100000101307 [1,0,0,0,0,0|3,0,0]=4 651 B10R0.85 COC(=O)C(OC)OCCF 34a_100000036821_100011217306 [1,0,0,0,0,0|3,0,0]=4 652 B10R0.85 COC(=O)C(OC)OCCN 34a_100000210304_100000101307 [1,0,0,0,0,0|3,0,0]=4 653 B10R0.85 COC(=O)C(OC)OCCO 34a_100000036821_100000211926 [1,0,0,0,0,0|3,0,0]=4 654 B10R0.85 COC(=O)C(OC)OCSC 34a_100000036821_100011218213 [1,0,0,0,0,0|3,0,0]=4 655 B10R0.85 COC(=O)C(OC)SCCF 62a_100000101307_100011217306 [1,0,0,0,0,0|3,0,0]=4 656 B10R0.85 COC(=O)C(OC)SCCF 62a_100011217306_100000101307 [1,0,0,0,0,0|3,0,0]=4 657 B10R0.85 COC(=O)C(OC)SCCO 62a_100000101307_100000211926 [1,0,0,0,0,0|3,0,0]=4 658 B10R0.85 COC(=O)C(OC)SCCO 62a_100000211926_100000101307 [1,0,0,0,0,0|3,0,0]=4 659 B10R0.85 COC(=O)C(OC)SCSC 62a_100000101307_100011218213 [1,0,0,0,0,0|3,0,0]=4 660 B10R0.85 COC(=O)C(OC)SCSC 62a_100011218213_100000101307 [1,0,0,0,0,0|3,0,0]=4 661 B10R0.85 COCSC(CO)C(=O)OC 62a_100000766300_100012276630 [1,0,0,0,0,0|3,0,0]=4 662 B10R0.85 COCSC(CO)C(=O)OC 62a_100012276630_100000766300 [1,0,0,0,0,0|3,0,0]=4 663 B10R0.85 COCSC(OC)C(=O)OC 62a_100000101307_100000766300 [1,0,0,0,0,0|3,0,0]=4 664 B10R0.85 COCSC(OC)C(=O)OC 62a_100000766300_100000101307 [1,0,0,0,0,0|3,0,0]=4 665 B12R0.8 C#CCC(=O)C(CC)C(=O)OCC 1458a_100011220946_100000212269 [0,1,0,0,0,0|0,0,3]=4 666 B12R0.8 C#CCN(C)C(CC)C(=O)OCC 2230a_100000225692_100000212269 [0,1,0,0,0,0|1,0,2]=4 667 B12R0.8 C#CCN(C)C(CC)C(=O)OCC 34a_100000225692_100000212269 [0,1,0,0,0,0|1,0,2]=4 668 B12R0.8 C=CCC(=O)C(CC)C(=O)OCC 1458a_100000210193_100000212269 [0,1,0,0,0,0|0,0,3]=4 669 B12R0.8 C=CCN(C)C(CC)C(=O)OCC 2230a_100000225617_100000212269 [0,1,0,0,0,0|1,0,2]=4 670 B12R0.8 C=CCN(C)C(CC)C(=O)OCC 269982a_100000225617_100000212269 [0,1,0,0,0,0|1,0,2]=4 671 B12R0.8 CC#CC(=O)C(CC)C(=O)OCC 1458a_100000763181_100000212269 [0,1,0,0,0,0|0,0,3]=4 672 B12R0.8 CC=CC(=O)C(CC)C(=O)OCC 1458a_100000210699_100000212269 [0,1,0,0,0,0|0,0,3]=4 673 B12R0.8 CCCC(=O)C(CC)C(=O)OCC 1458a_100000211992_100000212269 [0,1,0,0,0,0|0,0,1]=2 674 B12R0.8 CCCC(=O)C(SC)C(=O)OCC 1458a_100000211992_100009893047 [0,1,0,0,0,0|1,0,1]=3 675 B12R0.8 CCCC(=O)N(CC)C(C)CCO 240690a_100011935059_100000211992 [0,1,0,0,0,0|3,0,0]=4 676 B12R0.8 CCCC(=O)N(CC)C(C)CCO 527a_100011935059_100000211992 [0,1,0,0,0,0|3,0,0]=4 677 B12R0.8 CCCN(C)C(CC)C(=O)OCC 2230a_100000747261_100000212269 [0,1,0,0,0,0|1,0,0]=2 678 B12R0.8 CCCN(C)C(CC)C(=O)OCC 269982a_100000747261_100000212269 [0,1,0,0,0,0|1,0,0]=2 679 B12R0.8 CCCN(C)C(SC)C(=O)OCC 269982a_100000747261_100009893047 [0,1,0,0,0,0|2,0,0]=3 680 B12R0.8 CCNC(=O)N(CC)C(C)CCO 2708a_100015525214_100011935059 [0,1,0,0,0,0|3,0,0]=4 681 B12R0.8 CCOC(=O)C(CC)C(=O)CC#N 1458a_100051588842_100000212269 [0,1,0,0,0,0|1,0,2]=4 682 B12R0.8 CCOC(=O)C(CC)C(=O)CCO 1458a_100011216618_100000212269 [0,1,0,0,0,0|1,0,1]=3 683 B12R0.8 CCOC(=O)C(CC)C(=O)COC 1458a_100000210968_100000212269 [0,1,0,0,0,0|1,0,1]=3 684 B12R0.8 CCOC(=O)C(CC)C(=O)CSC 1458a_100000184570_100000212269 [0,1,0,0,0,0|1,0,1]=3 685 B12R0.8 CCOC(=O)C(CC)N(C)CC#N 2230a_100000748184_100000212269 [0,1,0,0,0,0|2,0,1]=4 686 B12R0.8 CCOC(=O)C(CC)N(C)CCO 2230a_100000210263_100000212269 [0,1,0,0,0,0|2,0,0]=3 687 B12R0.8 CCOC(=O)C(CC)N(C)CCO 269982a_100000210263_100000212269 [0,1,0,0,0,0|2,0,0]=3 688 B12R0.8 CCOC(=O)C(NC)C(=O)OCC 34a_100102657272_100000243710 [0,1,0,0,0,0|2,0,1]=4 689 B12R0.8 CCOC(=O)C(OC)C(=O)OCC 34a_100138415774_100000243710 [0,1,0,0,0,0|2,0,1]=4 690 B12R0.8 CCOC(=O)C(SC)C(=O)CCO 1458a_100011216618_100009893047 [0,1,0,0,0,0|2,0,1]=4 691 B12R0.8 CCOC(=O)C(SC)C(=O)COC 1458a_100000210968_100009893047 [0,1,0,0,0,0|2,0,1]=4 692 B12R0.8 CCOC(=O)C(SC)C(=O)CSC 1458a_100000184570_100009893047 [0,1,0,0,0,0|2,0,1]=4 693 B12R0.8 CCOC(=O)C(SC)C(=O)OCC 62a_100000243710_200000210301 [0,1,0,0,0,0|2,0,1]=4 694 B12R0.8 CCOC(=O)C(SC)C(=O)OCC 62a_200000210301_100000243710 [0,1,0,0,0,0|2,0,1]=4 695 B12R0.8 CCOC(=O)C(SC)N(C)CCO 269982a_100000210263_100009893047 [0,1,0,0,0,0|3,0,0]=4 696 B12R0.8 CCOC(=O)C(S[13CH3])C(=O)OCC 62a_100000243710_200025704644 [0,1,0,0,0,0|2,0,1]=4 697 B12R0.8 CCOC(=O)C(S[13CH3])C(=O)OCC 62a_200025704644_100000243710 [0,1,0,0,0,0|2,0,1]=4 698 B12R0.11 C#CCC(=O)C(CCC)CCCC 1458a_100011220946_100000211913 [0,1,0,0,0,0|1,0,2]=4 699 B12R0.11 C#CCNC(CCC)C(=O)OCC 34a_100000212058_100000695697 [0,1,0,0,0,0|1,0,2]=4 700 B12R0.11 C#CCNC(OCC)C(=O)OCC 34a_100000212058_100000033883 [0,1,0,0,0,0|1,0,2]=4 701 B12R0.11 C#CCOC(CCC)C(=O)OCC 34a_100000210247_100000695697 [0,1,0,0,0,0|1,0,2]=4 702 B12R0.11 C#CCOC(CCC)C(=O)OCC 34a_200011218214_100000184674 [0,1,0,0,0,0|1,0,2]=4 703 B12R0.11 C#CCOC(CCC)C(=O)OCC 7a_200011218214_100000038162 [0,1,0,0,0,0|1,0,2]=4 704 B12R0.11 C#CCOC(OCC)C(=O)OCC 34a_100000210247_100000033883 [0,1,0,0,0,0|1,0,2]=4 705 B12R0.11 C#CCSC(CCC)C(=O)OCC 62a_100000038162_100000695697 [0,1,0,0,0,0|1,0,2]=4 706 B12R0.11 C#CCSC(OCC)C(=O)OCC 62a_100000038162_100000033883 [0,1,0,0,0,0|1,0,2]=4 707 B12R0.11 C=CCC(=O)C(CCC)CCCC 1458a_100000210193_100000211913 [0,1,0,0,0,0|1,0,2]=4 708 B12R0.11 C=CCNC(CCC)C(=O)OCC 2230a_100020586998_100000695697 [0,1,0,0,0,0|1,0,2]=4 709 B12R0.11 C=CCOC(CCC)C(=O)OCC 34a_200000210373_100000695697 [0,1,0,0,0,0|1,0,2]=4 710 B12R0.11 C=CCOC(CCC)C(=O)OCC 34a_200011218214_100015514636 [0,1,0,0,0,0|1,0,2]=4 711 B12R0.11 C=CCOC(CCC)C(=O)OCC 7a_200011218214_100015514636 [0,1,0,0,0,0|1,0,2]=4 712 B12R0.11 C=CCOC(OCC)C(=O)OCC 34a_200000210373_100000033883 [0,1,0,0,0,0|1,0,2]=4 713 B12R0.11 C=CCSC(CCC)C(=O)OCC 62a_100000210623_100000695697 [0,1,0,0,0,0|1,0,2]=4 714 B12R0.11 C=CCSC(CCC)C(=O)OCC 62a_100000695697_100000210623 [0,1,0,0,0,0|1,0,2]=4 715 B12R0.11 C=CCSC(OCC)C(=O)OCC 62a_100000033883_100000210623 [0,1,0,0,0,0|1,0,2]=4 716 B12R0.11 C=CCSC(OCC)C(=O)OCC 62a_100000210623_100000033883 [0,1,0,0,0,0|1,0,2]=4 717 B12R0.11 CC#CC(=O)C(CCC)CCCC 1458a_100000763181_100000211913 [0,1,0,0,0,0|1,0,1]=3 718 B12R0.11 CC=CC(=O)C(CCC)CCCC 1458a_100000210699_100000211913 [0,1,0,0,0,0|1,0,1]=3 719 B12R0.11 CC=CC(=O)N(CCC)CCCC 11a_200000207744_100000210699 [0,1,0,0,0,0|2,0,1]=4 720 B12R0.11 CC=CC(=O)N(CCC)CCCC 1626a_200000207744_100000210699 [0,1,0,0,0,0|2,0,1]=4 721 B12R0.11 CC=CC(=O)N(CCC)CCCC 240690a_200000207744_100000210699 [0,1,0,0,0,0|2,0,1]=4 722 B12R0.11 CC=CC(=O)N(CCO)CCCC 240690a_100000198060_100000210699 [0,1,0,0,0,0|2,0,1]=4 723 B12R0.11 CCCC(=NNCC)C(=O)OCC 4a_100000756455_100011997676 [0,1,0,0,0,0|2,0,1]=4 724 B12R0.11 CCCC(=O)C(CCC)OCCF 34a_200011216804_100011217306 [0,1,0,0,0,0|3,0,0]=4 725 B12R0.11 CCCC(=O)C(CCC)OCCF 7a_200011216804_100011217306 [0,1,0,0,0,0|3,0,0]=4 726 B12R0.11 CCCC(=O)C(CCC)OCCO 34a_200011216804_100000211926 [0,1,0,0,0,0|3,0,0]=4 727 B12R0.11 CCCC(=O)C(CCC)OCCO 7a_200011216804_100000211926 [0,1,0,0,0,0|3,0,0]=4 728 B12R0.11 CCCC(=O)C(CCC)OCSC 34a_200011216804_100011218213 [0,1,0,0,0,0|3,0,0]=4 729 B12R0.11 CCCC(=O)N(CCC)CCOC 11a_200011192371_100000211992 [0,1,0,0,0,0|3,0,0]=4 730 B12R0.11 CCCC(=O)N(CCC)CCOC 1626a_200011192371_100000211992 [0,1,0,0,0,0|3,0,0]=4 731 B12R0.11 CCCC(=O)N(CCC)CCOC 240690a_200011192371_100000211992 [0,1,0,0,0,0|3,0,0]=4 732 B12R0.11 CCCC(=O)N(CCC)CCOC 527a_200011192371_100000211992 [0,1,0,0,0,0|3,0,0]=4 733 B12R0.11 CCCC(=O)N(CCO)CCCO 240690a_200000212863_100000211992 [0,1,0,0,0,0|3,0,0]=4 734 B12R0.11 CCCC(NCCF)C(=O)OCC 34a_100000724931_100000695697 [0,1,0,0,0,0|2,0,0]=3 735 B12R0.11 CCCC(NCCO)C(=O)OCC 2230a_100016997473_100000695697 [0,1,0,0,0,0|2,0,0]=3 736 B12R0.11 CCCC(NCCO)C(=O)OCC 34a_100016990907_100000695697 [0,1,0,0,0,0|2,0,0]=3 737 B12R0.11 CCCC(OCC#N)C(=O)OCC 7a_200011218214_100011215382 [0,1,0,0,0,0|2,0,1]=4 738 B12R0.11 CCCC(OCC=O)C(=O)OCC 34a_200011218214_200009817547 [0,1,0,0,0,0|2,0,1]=4 739 B12R0.11 CCCC(OCC=O)C(=O)OCC 7a_200011218214_200015260668 [0,1,0,0,0,0|2,0,1]=4 740 B12R0.11 CCCC(OCCBr)C(=O)OCC 34a_100000211926_100000695697 [0,1,0,0,0,0|2,0,0]=3 741 B12R0.11 CCCC(OCCF)C(=O)OCC 34a_200011218214_100011217306 [0,1,0,0,0,0|2,0,0]=3 742 B12R0.11 CCCC(OCCF)C(=O)OCC 7a_200011218214_100011217306 [0,1,0,0,0,0|2,0,0]=3 743 B12R0.11 CCCC(OCCN)C(=O)OCC 34a_100000210304_100000695697 [0,1,0,0,0,0|2,0,0]=3 744 B12R0.11 CCCC(OCCO)C(=O)OCC 34a_200011218214_100000211926 [0,1,0,0,0,0|2,0,0]=3 745 B12R0.11 CCCC(OCCO)C(=O)OCC 7a_200011218214_100000211926 [0,1,0,0,0,0|2,0,0]=3 746 B12R0.11 CCCC(OCSC)C(=O)OCC 34a_200011218214_100011218213 [0,1,0,0,0,0|2,0,0]=3 747 B12R0.11 CCCC(SCC#N)C(=O)OCC 62a_100000695697_100011215382 [0,1,0,0,0,0|2,0,1]=4 748 B12R0.11 CCCC(SCC#N)C(=O)OCC 62a_100011215382_100000695697 [0,1,0,0,0,0|2,0,1]=4 749 B12R0.11 CCCC(SCC=O)C(=O)OCC 62a_100000695697_200015260668 [0,1,0,0,0,0|2,0,1]=4 750 B12R0.11 CCCC(SCC=O)C(=O)OCC 62a_200015260668_100000695697 [0,1,0,0,0,0|2,0,1]=4 751 B12R0.11 CCCC(SCCF)C(=O)OCC 62a_100000695697_100011217306 [0,1,0,0,0,0|2,0,0]=3 752 B12R0.11 CCCC(SCCF)C(=O)OCC 62a_100011217306_100000695697 [0,1,0,0,0,0|2,0,0]=3 753 B12R0.11 CCCC(SCCO)C(=O)OCC 62a_100000211926_100000695697 [0,1,0,0,0,0|2,0,0]=3 754 B12R0.11 CCCC(SCCO)C(=O)OCC 62a_100000695697_100000211926 [0,1,0,0,0,0|2,0,0]=3 755 B12R0.11 CCCC(SCOC)C(=O)OCC 62a_100000695697_100000766300 [0,1,0,0,0,0|2,0,0]=3 756 B12R0.11 CCCC(SCOC)C(=O)OCC 62a_100000766300_100000695697 [0,1,0,0,0,0|2,0,0]=3 757 B12R0.11 CCCC(SCSC)C(=O)OCC 62a_100000695697_100011218213 [0,1,0,0,0,0|2,0,0]=3 758 B12R0.11 CCCC(SCSC)C(=O)OCC 62a_100011218213_100000695697 [0,1,0,0,0,0|2,0,0]=3 759 B12R0.11 CCCCC(CCC)C(=O)C=CBr 1458a_100016273825_100000211913 [0,1,0,0,0,0|2,0,1]=4 760 B12R0.11 CCCCC(CCC)C(=O)C=CCl 1458a_200016279998_100000211913 [0,1,0,0,0,0|2,0,1]=4 761 B12R0.11 CCCCC(CCC)C(=O)C=CI 1458a_100016256311_100000211913 [0,1,0,0,0,0|2,0,1]=4 762 B12R0.11 CCCCC(CCC)C(=O)CC#N 1458a_100051588842_100000211913 [0,1,0,0,0,0|2,0,1]=4 763 B12R0.11 CCCCC(CCC)C(=O)CCC 1458a_100000211992_100000211913 [0,1,0,0,0,0|1,0,0]=2 764 B12R0.11 CCCCC(CCC)C(=O)CCO 1458a_100011216618_100000211913 [0,1,0,0,0,0|2,0,0]=3 765 B12R0.11 CCCCC(CCC)C(=O)COC 1458a_100000210968_100000211913 [0,1,0,0,0,0|2,0,0]=3 766 B12R0.11 CCCCC(CCC)C(=O)CSC 1458a_100000184570_100000211913 [0,1,0,0,0,0|2,0,0]=3 767 B12R0.11 CCCCC(CCC)N(C)CCC 269982a_100000747261_100000211913 [0,1,0,0,0,0|3,0,0]=4 768 B12R0.11 CCCCC(NCC)C(=O)OCC 2230a_100015525214_200009813700 [0,1,0,0,0,0|0,0,0]=1 769 B12R0.11 CCCCC(NCC)C(C)CCC 270004a_100015525214_100011216208 [0,1,0,0,0,0|2,0,1]=4 770 B12R0.11 CCCCC(OCC)C(=O)OCC 34a_100121572206_200009813700 [0,1,0,0,0,0|0,0,0]=1 771 B12R0.11 CCCCC(OCC)C(=O)OCC 34a_200011215408_100000210202 [0,1,0,0,0,0|0,0,0]=1 772 B12R0.11 CCCCC(OCC)C(=O)OCC 7a_200011215408_100000210202 [0,1,0,0,0,0|0,0,0]=1 773 B12R0.11 CCCCC(OCC)C(C)CCC 34a_200011217622_100000210202 [0,1,0,0,0,0|2,0,1]=4 774 B12R0.11 CCCCC(OCC)C(C)CCC 7a_200011217622_100000210202 [0,1,0,0,0,0|2,0,1]=4 775 B12R0.11 CCCCC(OCF)C(=O)OCC 34a_200011215408_100015361967 [0,1,0,0,0,0|1,0,0]=2 776 B12R0.11 CCCCC(OCF)C(=O)OCC 7a_200011215408_100015361967 [0,1,0,0,0,0|1,0,0]=2 777 B12R0.11 CCCCC(SCC)C(=O)OCC 62a_100000210202_200009813700 [0,1,0,0,0,0|0,0,0]=1 778 B12R0.11 CCCCC(SCC)C(=O)OCC 62a_200009813700_100000210202 [0,1,0,0,0,0|0,0,0]=1 779 B12R0.11 CCCCC(SCF)C(=O)OCC 62a_100015361967_200009813700 [0,1,0,0,0,0|1,0,0]=2 780 B12R0.11 CCCCC(SCF)C(=O)OCC 62a_200009813700_100015361967 [0,1,0,0,0,0|1,0,0]=2 781 B12R0.11 CCCCN(CC#N)C(=O)CCC 11a_200011192266_100000211992 [0,1,0,0,0,0|2,0,1]=4 782 B12R0.11 CCCCN(CC#N)C(=O)CCC 1626a_200011192266_100000211992 [0,1,0,0,0,0|2,0,1]=4 783 B12R0.11 CCCCN(CC#N)C(=O)CCC 240690a_200011192266_100000211992 [0,1,0,0,0,0|2,0,1]=4 784 B12R0.11 CCCCN(CC#N)C(=O)NCC 273464a_100015525214_200011192266 [0,1,0,0,0,0|2,0,1]=4 785 B12R0.11 CCCCN(CCC)C(=O)CCC 11a_200000207744_100000211992 [0,1,0,0,0,0|2,0,0]=3 786 B12R0.11 CCCCN(CCC)C(=O)CCC 1626a_200000207744_100000211992 [0,1,0,0,0,0|2,0,0]=3 787 B12R0.11 CCCCN(CCC)C(=O)CCC 240690a_200000207744_100000211992 [0,1,0,0,0,0|2,0,0]=3 788 B12R0.11 CCCCN(CCC)C(=O)CCC 527a_200000207744_100000211992 [0,1,0,0,0,0|2,0,0]=3 789 B12R0.11 CCCCN(CCC)C(=O)CCO 240690a_200000207744_100011216618 [0,1,0,0,0,0|3,0,0]=4 790 B12R0.11 CCCCN(CCC)C(=O)COC 11a_200000207744_100000210968 [0,1,0,0,0,0|3,0,0]=4 791 B12R0.11 CCCCN(CCC)C(=O)COC 1626a_200000207744_100000210968 [0,1,0,0,0,0|3,0,0]=4 792 B12R0.11 CCCCN(CCC)C(=O)COC 240690a_200000207744_100000210968 [0,1,0,0,0,0|3,0,0]=4 793 B12R0.11 CCCCN(CCC)C(=O)COC 527a_200000207744_100000210968 [0,1,0,0,0,0|3,0,0]=4 794 B12R0.11 CCCCN(CCC)C(=O)CSC 11a_200000207744_100000184570 [0,1,0,0,0,0|3,0,0]=4 795 B12R0.11 CCCCN(CCC)C(=O)CSC 1626a_200000207744_100000184570 [0,1,0,0,0,0|3,0,0]=4 796 B12R0.11 CCCCN(CCC)C(=O)CSC 240690a_200000207744_100000184570 [0,1,0,0,0,0|3,0,0]=4 797 B12R0.11 CCCCN(CCC)C(=O)CSC 527a_200000207744_100000184570 [0,1,0,0,0,0|3,0,0]=4 798 B12R0.11 CCCCN(CCC)C(=O)NCC 2708a_100015525214_200000207744 [0,1,0,0,0,0|2,0,0]=3 799 B12R0.11 CCCCN(CCC)C(=O)NCC 273464a_100015525214_200000207744 [0,1,0,0,0,0|2,0,0]=3 800 B12R0.11 CCCCN(CCO)C(=O)CCC 240690a_100000198060_100000211992 [0,1,0,0,0,0|2,0,0]=3 801 B12R0.11 CCCCN(CCO)C(=O)CCO 240690a_100000198060_100011216618 [0,1,0,0,0,0|3,0,0]=4 802 B12R0.11 CCCCN(CCO)C(=O)COC 240690a_100000198060_100000210968 [0,1,0,0,0,0|3,0,0]=4 803 B12R0.11 CCCCN(CCO)C(=O)CSC 240690a_100000198060_100000184570 [0,1,0,0,0,0|3,0,0]=4 804 B12R0.11 CCCCN(CCO)C(=O)NCC 2708a_100015525214_100000198060 [0,1,0,0,0,0|2,0,0]=3 805 B12R0.11 CCCCN(CCO)C(=O)NCC 273464a_100015525214_100000198060 [0,1,0,0,0,0|2,0,0]=3 806 B12R0.11 CCCN(CCOC)C(=O)NCC 2708a_100015525214_200011192371 [0,1,0,0,0,0|3,0,0]=4 807 B12R0.11 CCCN(CCOC)C(=O)NCC 273464a_100015525214_200011192371 [0,1,0,0,0,0|3,0,0]=4 808 B12R0.11 CCCOC(CCC)C(=O)CCC 34a_200011216804_100000210303 [0,1,0,0,0,0|2,0,0]=3 809 B12R0.11 CCCOC(CCC)C(=O)CCC 7a_200011216804_100000210303 [0,1,0,0,0,0|2,0,0]=3 810 B12R0.11 CCCOC(CCC)C(=O)OCC 34a_100000210258_100000695697 [0,1,0,0,0,0|1,0,0]=2 811 B12R0.11 CCCOC(CCC)C(=O)OCC 34a_200011218214_100000210303 [0,1,0,0,0,0|1,0,0]=2 812 B12R0.11 CCCOC(CCC)C(=O)OCC 7a_200011218214_100000210303 [0,1,0,0,0,0|1,0,0]=2 813 B12R0.11 CCCOC(OCC)C(=O)OCC 34a_100000210258_100000033883 [0,1,0,0,0,0|1,0,0]=2 814 B12R0.11 CCCSC(CCC)C(=O)OCC 62a_100000210303_100000695697 [0,1,0,0,0,0|1,0,0]=2 815 B12R0.11 CCCSC(CCC)C(=O)OCC 62a_100000695697_100000210303 [0,1,0,0,0,0|1,0,0]=2 816 B12R0.11 CCCSC(OCC)C(=O)OCC 62a_100000033883_100000210303 [0,1,0,0,0,0|1,0,0]=2 817 B12R0.11 CCCSC(OCC)C(=O)OCC 62a_100000210303_100000033883 [0,1,0,0,0,0|1,0,0]=2 818 B12R0.11 CCNC(=O)N(CCO)CCCO 2708a_100015525214_200000212863 [0,1,0,0,0,0|3,0,0]=4 819 B12R0.11 CCNC(=O)N(CCO)CCCO 273464a_100015525214_200000212863 [0,1,0,0,0,0|3,0,0]=4 820 B12R0.11 CCOC(=O)C(NCCF)OCC 34a_100000724931_100000033883 [0,1,0,0,0,0|2,0,0]=3 821 B12R0.11 CCOC(=O)C(NCCO)OCC 34a_100016990907_100000033883 [0,1,0,0,0,0|2,0,0]=3 822 B12R0.11 CCOC(=O)C(OCC)OCCBr 34a_100000211926_100000033883 [0,1,0,0,0,0|2,0,0]=3 823 B12R0.11 CCOC(=O)C(OCC)OCCN 34a_100000210304_100000033883 [0,1,0,0,0,0|2,0,0]=3 824 B12R0.11 CCOC(=O)C(OCC)SCC#N 62a_100000033883_100011215382 [0,1,0,0,0,0|2,0,1]=4 825 B12R0.11 CCOC(=O)C(OCC)SCC#N 62a_100011215382_100000033883 [0,1,0,0,0,0|2,0,1]=4 826 B12R0.11 CCOC(=O)C(OCC)SCC=O 62a_100000033883_200015260668 [0,1,0,0,0,0|2,0,1]=4 827 B12R0.11 CCOC(=O)C(OCC)SCC=O 62a_200015260668_100000033883 [0,1,0,0,0,0|2,0,1]=4 828 B12R0.11 CCOC(=O)C(OCC)SCCF 62a_100000033883_100011217306 [0,1,0,0,0,0|2,0,0]=3 829 B12R0.11 CCOC(=O)C(OCC)SCCF 62a_100011217306_100000033883 [0,1,0,0,0,0|2,0,0]=3 830 B12R0.11 CCOC(=O)C(OCC)SCCO 62a_100000033883_100000211926 [0,1,0,0,0,0|2,0,0]=3 831 B12R0.11 CCOC(=O)C(OCC)SCCO 62a_100000211926_100000033883 [0,1,0,0,0,0|2,0,0]=3 832 B12R0.11 CCOC(=O)C(OCC)SCOC 62a_100000033883_100000766300 [0,1,0,0,0,0|2,0,0]=3 833 B12R0.11 CCOC(=O)C(OCC)SCOC 62a_100000766300_100000033883 [0,1,0,0,0,0|2,0,0]=3 834 B12R0.11 CCOC(=O)C(OCC)SCSC 62a_100000033883_100011218213 [0,1,0,0,0,0|2,0,0]=3 835 B12R0.11 CCOC(=O)C(OCC)SCSC 62a_100011218213_100000033883 [0,1,0,0,0,0|2,0,0]=3 836 B12R0.77 C=C(C)COC(CC)C(=O)OCC 34a_100000210245_100000212269 [0,1,0,0,0,0|1,0,1]=3 837 B12R0.77 C=C(C)COC(CC)C(=O)OCC 34a_100011216719_100000748629 [0,1,0,0,0,0|1,0,1]=3 838 B12R0.77 C=C(C)COC(CC)C(=O)OCC 7a_100011216719_100000748629 [0,1,0,0,0,0|1,0,1]=3 839 B12R0.77 C=C(C)COC(SC)C(=O)OCC 34a_100000210245_100009893047 [0,1,0,0,0,0|2,0,1]=4 840 B12R0.77 C=C(C)CSC(CC)C(=O)OCC 62a_100000212269_100000211660 [0,1,0,0,0,0|1,0,1]=3 841 B12R0.77 C=C(C)CSC(CC)C(=O)OCC 62a_100000748629_100000212269 [0,1,0,0,0,0|1,0,1]=3 842 B12R0.77 C=C(C)CSC(SC)C(=O)OCC 62a_100000748629_100009893047 [0,1,0,0,0,0|2,0,1]=4 843 B12R0.77 C=C(C)CSC(SC)C(=O)OCC 62a_100009893047_100000211660 [0,1,0,0,0,0|2,0,1]=4 844 B12R0.77 C=C(F)COC(CC)C(=O)OCC 34a_100011216719_100009893438 [0,1,0,0,0,0|1,0,2]=4 845 B12R0.77 C=C(F)COC(CC)C(=O)OCC 34a_200010262243_100000212269 [0,1,0,0,0,0|1,0,2]=4 846 B12R0.77 C=C(F)COC(CC)C(=O)OCC 7a_100011216719_100000042424 [0,1,0,0,0,0|1,0,2]=4 847 B12R0.77 C=C(F)CSC(CC)C(=O)OCC 62a_100000042424_100000212269 [0,1,0,0,0,0|1,0,2]=4 848 B12R0.77 C=C(F)CSC(CC)C(=O)OCC 62a_100000212269_100000042424 [0,1,0,0,0,0|1,0,2]=4 849 B12R0.77 CC=CC(=O)N(CC)CCC(C)C 11a_100000207693_100000210699 [0,1,0,0,0,0|2,0,1]=4 850 B12R0.77 CC=CC(=O)N(CC)CCC(C)C 1626a_100000207693_100000210699 [0,1,0,0,0,0|2,0,1]=4 851 B12R0.77 CC=CC(=O)N(CC)CCC(C)C 240690a_100000207693_100000210699 [0,1,0,0,0,0|2,0,1]=4 852 B12R0.77 CCCC(=O)N(CC)CCC(C)C 11a_100000207693_100000211992 [0,1,0,0,0,0|2,0,0]=3 853 B12R0.77 CCCC(=O)N(CC)CCC(C)C 1626a_100000207693_100000211992 [0,1,0,0,0,0|2,0,0]=3 854 B12R0.77 CCCC(=O)N(CC)CCC(C)C 240690a_100000207693_100000211992 [0,1,0,0,0,0|2,0,0]=3 855 B12R0.77 CCCC(=O)N(CC)CCC(C)C 527a_100000207693_100000211992 [0,1,0,0,0,0|2,0,0]=3 856 B12R0.77 CCCC(=O)N(CC)CCN(C)C 240690a_100000225870_100000211992 [0,1,0,0,0,0|3,0,0]=4 857 B12R0.77 CCN(CCC(C)C)C(=O)CCO 240690a_100000207693_100011216618 [0,1,0,0,0,0|3,0,0]=4 858 B12R0.77 CCN(CCC(C)C)C(=O)COC 11a_100000207693_100000210968 [0,1,0,0,0,0|3,0,0]=4 859 B12R0.77 CCN(CCC(C)C)C(=O)COC 1626a_100000207693_100000210968 [0,1,0,0,0,0|3,0,0]=4 860 B12R0.77 CCN(CCC(C)C)C(=O)COC 240690a_100000207693_100000210968 [0,1,0,0,0,0|3,0,0]=4 861 B12R0.77 CCN(CCC(C)C)C(=O)COC 527a_100000207693_100000210968 [0,1,0,0,0,0|3,0,0]=4 862 B12R0.77 CCN(CCC(C)C)C(=O)CSC 11a_100000207693_100000184570 [0,1,0,0,0,0|3,0,0]=4 863 B12R0.77 CCN(CCC(C)C)C(=O)CSC 1626a_100000207693_100000184570 [0,1,0,0,0,0|3,0,0]=4 864 B12R0.77 CCN(CCC(C)C)C(=O)CSC 240690a_100000207693_100000184570 [0,1,0,0,0,0|3,0,0]=4 865 B12R0.77 CCN(CCC(C)C)C(=O)CSC 527a_100000207693_100000184570 [0,1,0,0,0,0|3,0,0]=4 866 B12R0.77 CCNC(=O)N(CC)CCC(C)C 2708a_100015525214_100000207693 [0,1,0,0,0,0|2,0,0]=3 867 B12R0.77 CCNC(=O)N(CC)CCC(C)C 273464a_100015525214_100000207693 [0,1,0,0,0,0|2,0,0]=3 868 B12R0.77 CCNC(=O)N(CC)CCN(C)C 2708a_100015525214_100000225870 [0,1,0,0,0,0|3,0,0]=4 869 B12R0.77 CCNC(=O)N(CC)CCN(C)C 273464a_100015525214_100000225870 [0,1,0,0,0,0|3,0,0]=4 870 B12R0.77 CCOC(=O)C(=NNC(C)C)CC 4a_100000741168_100000211510 [0,1,0,0,0,0|2,0,1]=4 871 B12R0.77 CCOC(=O)C(C=O)SCC(C)C 62a_100000053139_100000210760 [0,1,0,0,0,0|2,0,1]=4 872 B12R0.77 CCOC(=O)C(C=O)SCC(C)C 62a_100000210624_100000053139 [0,1,0,0,0,0|2,0,1]=4 873 B12R0.77 CCOC(=O)C(C=O)SCC(C)O 62a_100000053139_100011218427 [0,1,0,0,0,0|2,0,1]=4 874 B12R0.77 CCOC(=O)C(C=O)SCC(C)O 62a_100011218427_100000053139 [0,1,0,0,0,0|2,0,1]=4 875 B12R0.77 CCOC(=O)C(C=O)SC[C@@H](C)O 62a_100000053139_100009817552 [0,1,0,0,0,0|2,0,1]=4 876 B12R0.77 CCOC(=O)C(C=O)SC[C@@H](C)O 62a_100009817552_100000053139 [0,1,0,0,0,0|2,0,1]=4 877 B12R0.77 CCOC(=O)C(CC)NCC(=O)N 2230a_100000711301_100000212269 [0,1,0,0,0,0|2,0,1]=4 878 B12R0.77 CCOC(=O)C(CC)NCC(C)C 2230a_100000210953_100000212269 [0,1,0,0,0,0|1,0,0]=2 879 B12R0.77 CCOC(=O)C(CC)NCC(C)C 34a_100000210953_100000212269 [0,1,0,0,0,0|1,0,0]=2 880 B12R0.77 CCOC(=O)C(CC)NCC(C)O 2230a_100000210904_100000212269 [0,1,0,0,0,0|1,0,0]=2 881 B12R0.77 CCOC(=O)C(CC)NCC(C)O 34a_100000210904_100000212269 [0,1,0,0,0,0|1,0,0]=2 882 B12R0.77 CCOC(=O)C(CC)NCC(F)F 34a_100000765723_100000212269 [0,1,0,0,0,0|2,0,0]=3 883 B12R0.77 CCOC(=O)C(CC)OCC(=O)C 34a_100000211253_100000212269 [0,1,0,0,0,0|1,0,1]=3 884 B12R0.77 CCOC(=O)C(CC)OCC(=O)N 34a_100011216719_100000187820 [0,1,0,0,0,0|2,0,1]=4 885 B12R0.77 CCOC(=O)C(CC)OCC(=O)N 7a_100011216719_100000187820 [0,1,0,0,0,0|2,0,1]=4 886 B12R0.77 CCOC(=O)C(CC)OCC(=O)[O-] 34a_100011216719_100020667443 [0,1,0,0,0,0|2,0,1]=4 887 B12R0.77 CCOC(=O)C(CC)OCC(C)Br 34a_100012180447_100000212269 [0,1,0,0,0,0|1,0,0]=2 888 B12R0.77 CCOC(=O)C(CC)OCC(C)C 34a_100000210257_100000212269 [0,1,0,0,0,0|1,0,0]=2 889 B12R0.77 CCOC(=O)C(CC)OCC(C)C 34a_100011216719_100000210624 [0,1,0,0,0,0|1,0,0]=2 890 B12R0.77 CCOC(=O)C(CC)OCC(C)C 7a_100011216719_100000210760 [0,1,0,0,0,0|1,0,0]=2 891 B12R0.77 CCOC(=O)C(CC)OCC(C)F 34a_100015925927_100000212269 [0,1,0,0,0,0|1,0,0]=2 892 B12R0.77 CCOC(=O)C(CC)OCC(C)O 34a_100011216719_100011218427 [0,1,0,0,0,0|1,0,0]=2 893 B12R0.77 CCOC(=O)C(CC)OCC(C)O 7a_100011216719_100011218427 [0,1,0,0,0,0|1,0,0]=2 894 B12R0.77 CCOC(=O)C(CC)OCC(F)F 34a_100000743014_100000212269 [0,1,0,0,0,0|2,0,0]=3 895 B12R0.77 CCOC(=O)C(CC)OCC(F)F 34a_100011216719_100011934356 [0,1,0,0,0,0|2,0,0]=3 896 B12R0.77 CCOC(=O)C(CC)OCC(F)F 7a_100011216719_100011934356 [0,1,0,0,0,0|2,0,0]=3 897 B12R0.77 CCOC(=O)C(CC)OC[C@@H](C)Cl 34a_100016084084_100000212269 [0,1,0,0,0,0|1,0,0]=2 898 B12R0.77 CCOC(=O)C(CC)OC[C@@H](C)N 34a_100000737577_100000212269 [0,1,0,0,0,0|1,0,0]=2 899 B12R0.77 CCOC(=O)C(CC)OC[C@@H](C)O 34a_100011216719_100009817552 [0,1,0,0,0,0|1,0,0]=2 900 B12R0.77 CCOC(=O)C(CC)OC[C@@H](C)O 7a_100011216719_100009817552 [0,1,0,0,0,0|1,0,0]=2 901 B12R0.77 CCOC(=O)C(CC)OC[N+](=O)[O-] 34a_100011216719_100000761209 [0,1,0,0,0,0|3,0,0]=4 902 B12R0.77 CCOC(=O)C(CC)SCC(=O)N 62a_100000212269_100000747473 [0,1,0,0,0,0|2,0,1]=4 903 B12R0.77 CCOC(=O)C(CC)SCC(=O)N 62a_100000747473_100000212269 [0,1,0,0,0,0|2,0,1]=4 904 B12R0.77 CCOC(=O)C(CC)SCC(=O)[O-] 62a_100000212269_100020667443 [0,1,0,0,0,0|2,0,1]=4 905 B12R0.77 CCOC(=O)C(CC)SCC(=O)[O-] 62a_100020667443_100000212269 [0,1,0,0,0,0|2,0,1]=4 906 B12R0.77 CCOC(=O)C(CC)SCC(C)C 62a_100000210624_100000212269 [0,1,0,0,0,0|1,0,0]=2 907 B12R0.77 CCOC(=O)C(CC)SCC(C)C 62a_100000212269_100000210760 [0,1,0,0,0,0|1,0,0]=2 908 B12R0.77 CCOC(=O)C(CC)SCC(C)O 62a_100000212269_100011218427 [0,1,0,0,0,0|1,0,0]=2 909 B12R0.77 CCOC(=O)C(CC)SCC(C)O 62a_100011218427_100000212269 [0,1,0,0,0,0|1,0,0]=2 910 B12R0.77 CCOC(=O)C(CC)SCC(F)F 62a_100000212269_100011934356 [0,1,0,0,0,0|2,0,0]=3 911 B12R0.77 CCOC(=O)C(CC)SCC(F)F 62a_100011934356_100000212269 [0,1,0,0,0,0|2,0,0]=3 912 B12R0.77 CCOC(=O)C(CC)SC[C@@H](C)O 62a_100000212269_100009817552 [0,1,0,0,0,0|1,0,0]=2 913 B12R0.77 CCOC(=O)C(CC)SC[C@@H](C)O 62a_100009817552_100000212269 [0,1,0,0,0,0|1,0,0]=2 914 B12R0.77 CCOC(=O)C(CC)SC[N+](=O)[O-] 62a_100000212269_100000761209 [0,1,0,0,0,0|3,0,0]=4 915 B12R0.77 CCOC(=O)C(NCC(C)C)SC 34a_100000210953_100009893047 [0,1,0,0,0,0|2,0,0]=3 916 B12R0.77 CCOC(=O)C(NCC(C)O)SC 34a_100000210904_100009893047 [0,1,0,0,0,0|2,0,0]=3 917 B12R0.77 CCOC(=O)C(NCC(F)F)SC 34a_100000765723_100009893047 [0,1,0,0,0,0|3,0,0]=4 918 B12R0.77 CCOC(=O)C(OCC(=O)C)SC 34a_100000211253_100009893047 [0,1,0,0,0,0|2,0,1]=4 919 B12R0.77 CCOC(=O)C(OCC(C)Br)SC 34a_100012180447_100009893047 [0,1,0,0,0,0|2,0,0]=3 920 B12R0.77 CCOC(=O)C(OCC(C)C)SC 34a_100000210257_100009893047 [0,1,0,0,0,0|2,0,0]=3 921 B12R0.77 CCOC(=O)C(OCC(C)F)SC 34a_100015925927_100009893047 [0,1,0,0,0,0|2,0,0]=3 922 B12R0.77 CCOC(=O)C(OCC(F)F)SC 34a_100000743014_100009893047 [0,1,0,0,0,0|3,0,0]=4 923 B12R0.77 CCOC(=O)C(OC[C@@H](C)Cl)SC 34a_100016084084_100009893047 [0,1,0,0,0,0|2,0,0]=3 924 B12R0.77 CCOC(=O)C(OC[C@@H](C)N)SC 34a_100000737577_100009893047 [0,1,0,0,0,0|2,0,0]=3 925 B12R0.77 CCOC(=O)C(SC)SCC(C)C 62a_100000210624_100009893047 [0,1,0,0,0,0|2,0,0]=3 926 B12R0.77 CCOC(=O)C(SC)SCC(C)C 62a_100009893047_100000210760 [0,1,0,0,0,0|2,0,0]=3 927 B12R0.77 CCOC(=O)C(SC)SCC(C)O 62a_100009893047_100011218427 [0,1,0,0,0,0|2,0,0]=3 928 B12R0.77 CCOC(=O)C(SC)SCC(C)O 62a_100011218427_100009893047 [0,1,0,0,0,0|2,0,0]=3 929 B12R0.77 CCOC(=O)C(SC)SCC(F)F 62a_100009893047_100011934356 [0,1,0,0,0,0|3,0,0]=4 930 B12R0.77 CCOC(=O)C(SC)SCC(F)F 62a_100011934356_100009893047 [0,1,0,0,0,0|3,0,0]=4 931 B12R0.77 CCOC(=O)C(SC)SC[C@@H](C)O 62a_100009817552_100009893047 [0,1,0,0,0,0|2,0,0]=3 932 B12R0.77 CCOC(=O)C(SC)SC[C@@H](C)O 62a_100009893047_100009817552 [0,1,0,0,0,0|2,0,0]=3 933 B12R0.80 C#CC(C)NC(CC)C(=O)OCC 2230a_100000707721_100000212269 [0,1,0,0,0,0|1,0,2]=4 934 B12R0.80 C#CC(C)NC(CC)C(=O)OCC 34a_100000707721_100000212269 [0,1,0,0,0,0|1,0,2]=4 935 B12R0.80 C#CC(C)OC(CC)C(=O)OCC 34a_100011216719_200000035995 [0,1,0,0,0,0|1,0,2]=4 936 B12R0.80 C#CC(C)SC(CC)C(=O)OCC 62a_200000035995_100000212269 [0,1,0,0,0,0|1,0,2]=4 937 B12R0.80 C#C[C@@H](C)OC(CC)C(=O)OCC 34a_100009815206_100000212269 [0,1,0,0,0,0|1,0,2]=4 938 B12R0.80 C#C[C@@H](C)OC(CC)C(=O)OCC 7a_100009815206_100000212269 [0,1,0,0,0,0|1,0,2]=4 939 B12R0.80 C=CC(C)OC(CC)C(=O)OCC 34a_100000695699_100000212269 [0,1,0,0,0,0|1,0,2]=4 940 B12R0.80 C=CC(C)SC(CC)C(=O)OCC 62a_100011215867_100000212269 [0,1,0,0,0,0|1,0,2]=4 941 B12R0.80 CC=CC(=O)N(CC)CC(O)CC 11a_100011365200_100000210699 [0,1,0,0,0,0|2,0,1]=4 942 B12R0.80 CC=CC(=O)N(CC)CC(O)CC 1626a_100011365200_100000210699 [0,1,0,0,0,0|2,0,1]=4 943 B12R0.80 CC=CC(=O)N(CC)CC(O)CC 240690a_100011365200_100000210699 [0,1,0,0,0,0|2,0,1]=4 944 B12R0.80 CCC(O)CN(CC)C(=O)CCO 240690a_100011365200_100011216618 [0,1,0,0,0,0|3,0,0]=4 945 B12R0.80 CCC(O)CN(CC)C(=O)COC 11a_100011365200_100000210968 [0,1,0,0,0,0|3,0,0]=4 946 B12R0.80 CCC(O)CN(CC)C(=O)COC 1626a_100011365200_100000210968 [0,1,0,0,0,0|3,0,0]=4 947 B12R0.80 CCC(O)CN(CC)C(=O)COC 240690a_100011365200_100000210968 [0,1,0,0,0,0|3,0,0]=4 948 B12R0.80 CCC(O)CN(CC)C(=O)COC 527a_100011365200_100000210968 [0,1,0,0,0,0|3,0,0]=4 949 B12R0.80 CCC(O)CN(CC)C(=O)CSC 11a_100011365200_100000184570 [0,1,0,0,0,0|3,0,0]=4 950 B12R0.80 CCC(O)CN(CC)C(=O)CSC 1626a_100011365200_100000184570 [0,1,0,0,0,0|3,0,0]=4 951 B12R0.80 CCC(O)CN(CC)C(=O)CSC 240690a_100011365200_100000184570 [0,1,0,0,0,0|3,0,0]=4 952 B12R0.80 CCC(O)CN(CC)C(=O)CSC 527a_100011365200_100000184570 [0,1,0,0,0,0|3,0,0]=4 953 B12R0.80 CCCC(=O)N(CC)CC(O)CC 11a_100011365200_100000211992 [0,1,0,0,0,0|2,0,0]=3 954 B12R0.80 CCCC(=O)N(CC)CC(O)CC 1626a_100011365200_100000211992 [0,1,0,0,0,0|2,0,0]=3 955 B12R0.80 CCCC(=O)N(CC)CC(O)CC 240690a_100011365200_100000211992 [0,1,0,0,0,0|2,0,0]=3 956 B12R0.80 CCCC(=O)N(CC)CC(O)CC 527a_100011365200_100000211992 [0,1,0,0,0,0|2,0,0]=3 957 B12R0.80 CCCN(C)C(CC)CC(C)CC 270004a_100000747261_100000184709 [0,1,0,0,0,0|3,0,0]=4 958 B12R0.80 CCNC(=O)N(CC)CC(O)CC 2708a_100015525214_100011365200 [0,1,0,0,0,0|2,0,0]=3 959 B12R0.80 CCNC(=O)N(CC)CC(O)CC 273464a_100015525214_100011365200 [0,1,0,0,0,0|2,0,0]=3 960 B12R0.80 CCOC(=O)C(C=O)SC(C)CC 62a_100000053139_100000758301 [0,1,0,0,0,0|2,0,1]=4 961 B12R0.80 CCOC(=O)C(C=O)SC(C)CC 62a_100000758301_100000053139 [0,1,0,0,0,0|2,0,1]=4 962 B12R0.80 CCOC(=O)C(CC)NC(C)C#N 2230a_100000737613_100000212269 [0,1,0,0,0,0|2,0,1]=4 963 B12R0.80 CCOC(=O)C(CC)NC(C)CC 2230a_100000209981_100000212269 [0,1,0,0,0,0|1,0,0]=2 964 B12R0.80 CCOC(=O)C(CC)N[C@H](C)CO 2230a_100000737577_100000212269 [0,1,0,0,0,0|2,0,0]=3 965 B12R0.80 CCOC(=O)C(CC)OC(C)C#N 34a_100011218135_100000212269 [0,1,0,0,0,0|2,0,1]=4 966 B12R0.80 CCOC(=O)C(CC)OC(C)C#N 7a_100011216719_100000703298 [0,1,0,0,0,0|2,0,1]=4 967 B12R0.80 CCOC(=O)C(CC)OC(C)CC 34a_100011216719_100011215416 [0,1,0,0,0,0|1,0,0]=2 968 B12R0.80 CCOC(=O)C(CC)OC(C)CC 7a_100000210228_100000212269 [0,1,0,0,0,0|1,0,0]=2 969 B12R0.80 CCOC(=O)C(CC)OC(C)CC 7a_100011216719_100000758301 [0,1,0,0,0,0|1,0,0]=2 970 B12R0.80 CCOC(=O)C(CC)OC(C)CF 34a_100016041109_100000212269 [0,1,0,0,0,0|2,0,0]=3 971 B12R0.80 CCOC(=O)C(CC)OC(C)CF 7a_100016041109_100000212269 [0,1,0,0,0,0|2,0,0]=3 972 B12R0.80 CCOC(=O)C(CC)OC(C)CN 34a_100000210904_100000212269 [0,1,0,0,0,0|2,0,0]=3 973 B12R0.80 CCOC(=O)C(CC)OC(C)CO 34a_100011216719_100012180447 [0,1,0,0,0,0|2,0,0]=3 974 B12R0.80 CCOC(=O)C(CC)OC(C)CO 7a_100011216719_100012180447 [0,1,0,0,0,0|2,0,0]=3 975 B12R0.80 CCOC(=O)C(CC)SC(C)C#N 62a_100000212269_100000703298 [0,1,0,0,0,0|2,0,1]=4 976 B12R0.80 CCOC(=O)C(CC)SC(C)C#N 62a_100000703298_100000212269 [0,1,0,0,0,0|2,0,1]=4 977 B12R0.80 CCOC(=O)C(CC)SC(C)CC 62a_100000212269_100000758301 [0,1,0,0,0,0|1,0,0]=2 978 B12R0.80 CCOC(=O)C(CC)SC(C)CC 62a_100000758301_100000212269 [0,1,0,0,0,0|1,0,0]=2 979 B12R0.80 CCOC(=O)C(CC)SC(C)CO 62a_100012180447_100000212269 [0,1,0,0,0,0|2,0,0]=3 980 B12R0.80 CCOC(=O)C(CC)SC(C)OC 62a_100000212269_100009879195 [0,1,0,0,0,0|2,0,0]=3 981 B12R0.80 CCOC(=O)C(CC)SC(C)OC 62a_100009879195_100000212269 [0,1,0,0,0,0|2,0,0]=3 982 B12R0.80 CCOC(=O)C(CC)SC(F)C#N 62a_100000212269_200000117898 [0,1,0,0,0,0|2,0,1]=4 983 B12R0.80 CCOC(=O)C(CC)SC(F)C#N 62a_200000117898_100000212269 [0,1,0,0,0,0|2,0,1]=4 984 B12R0.80 CCOC(=O)C(CC)S[C@H](C)CO 62a_100000212269_100016084084 [0,1,0,0,0,0|2,0,0]=3 985 B12R0.80 CCOC(=O)C(CC)S[C@H](C)CO 62a_100016084084_100000212269 [0,1,0,0,0,0|2,0,0]=3 986 B12R0.80 CCOC(=O)C(OC(C)CF)SC 34a_100016041109_100009893047 [0,1,0,0,0,0|3,0,0]=4 987 B12R0.80 CCOC(=O)C(OC(C)CN)SC 34a_100000210904_100009893047 [0,1,0,0,0,0|3,0,0]=4 988 B12R0.80 CCOC(=O)C(SC)SC(C)CC 62a_100000758301_100009893047 [0,1,0,0,0,0|2,0,0]=3 989 B12R0.80 CCOC(=O)C(SC)SC(C)CC 62a_100009893047_100000758301 [0,1,0,0,0,0|2,0,0]=3 990 B12R0.80 CCOC(=O)C(SC)SC(C)CO 62a_100012180447_100009893047 [0,1,0,0,0,0|3,0,0]=4 991 B12R0.80 CCOC(=O)C(SC)SC(C)OC 62a_100009879195_100009893047 [0,1,0,0,0,0|3,0,0]=4 992 B12R0.80 CCOC(=O)C(SC)SC(C)OC 62a_100009893047_100009879195 [0,1,0,0,0,0|3,0,0]=4 993 B12R0.80 CCOC(=O)C(SC)S[C@H](C)CO 62a_100009893047_100016084084 [0,1,0,0,0,0|3,0,0]=4 994 B12R0.80 CCOC(=O)C(SC)S[C@H](C)CO 62a_100016084084_100009893047 [0,1,0,0,0,0|3,0,0]=4 995 B12R0.80 CCOC(=O)[C@@H](CO)NC(=O)CC 188690a_100016988294_100000210414 [0,1,0,0,0,0|2,0,1]=4 996 B12R0.80 CCOC(=O)[C@H](CC)NC(=O)CC 188690a_100025709693_100000210414 [0,1,0,0,0,0|1,0,1]=3 997 B12R0.80 CCOC(=O)[C@H](CC)NC(=O)CO 188690a_100025709693_100000210174 [0,1,0,0,0,0|2,0,1]=4 998 B12R0.215 C=C(C)CC(=O)C(CC)CCCC 1458a_100000211130_100000748629 [0,1,0,0,0,0|1,0,1]=3 999 B12R0.215 C=C(F)CC(=O)C(CC)CCCC 1458a_100000211130_100009893438 [0,1,0,0,0,0|1,0,2]=4 1000 B12R0.215 CCC(NCCF)C(=O)NC(C)C 34a_100000724931_200011763342 [0,1,0,0,0,0|3,0,0]=4 1001 B12R0.215 CCC(NCCO)C(=O)NC(C)C 2230a_100016997473_200011763342 [0,1,0,0,0,0|3,0,0]=4 1002 B12R0.215 CCC(NCCO)C(=O)NC(C)C 34a_100016990907_200011763342 [0,1,0,0,0,0|3,0,0]=4 1003 B12R0.215 CCC(OCCBr)C(=O)NC(C)C 34a_100000211926_200011763342 [0,1,0,0,0,0|3,0,0]=4 1004 B12R0.215 CCC(OCCN)C(=O)NC(C)C 34a_100000210304_200011763342 [0,1,0,0,0,0|3,0,0]=4 1005 B12R0.215 CCC(SCCF)C(=O)NC(C)C 62a_100011217306_200011763342 [0,1,0,0,0,0|3,0,0]=4 1006 B12R0.215 CCC(SCCF)C(=O)NC(C)C 62a_200011763342_100011217306 [0,1,0,0,0,0|3,0,0]=4 1007 B12R0.215 CCC(SCCO)C(=O)NC(C)C 62a_100000211926_200011763342 [0,1,0,0,0,0|3,0,0]=4 1008 B12R0.215 CCC(SCCO)C(=O)NC(C)C 62a_200011763342_100000211926 [0,1,0,0,0,0|3,0,0]=4 1009 B12R0.215 CCC(SCOC)C(=O)NC(C)C 62a_100000766300_200011763342 [0,1,0,0,0,0|3,0,0]=4 1010 B12R0.215 CCC(SCOC)C(=O)NC(C)C 62a_200011763342_100000766300 [0,1,0,0,0,0|3,0,0]=4 1011 B12R0.215 CCC(SCSC)C(=O)NC(C)C 62a_100011218213_200011763342 [0,1,0,0,0,0|3,0,0]=4 1012 B12R0.215 CCC(SCSC)C(=O)NC(C)C 62a_200011763342_100011218213 [0,1,0,0,0,0|3,0,0]=4 1013 B12R0.215 CCCCC(CC)C(=O)C=C(C)C 1458a_100000211388_200011216223 [0,1,0,0,0,0|1,0,1]=3 1014 B12R0.215 CCCCC(CC)C(=O)C=C(C)Cl 1458a_200042562850_200011216223 [0,1,0,0,0,0|1,0,1]=3 1015 B12R0.215 CCCCC(CC)C(=O)C=C(C)I 1458a_100025716642_200011216223 [0,1,0,0,0,0|1,0,1]=3 1016 B12R0.215 CCCCC(CC)C(=O)C=C(Cl)Cl 1458a_100000137448_200011216223 [0,1,0,0,0,0|2,0,1]=4 1017 B12R0.215 CCCCC(CC)C(=O)CC(=O)N 1458a_100000211130_100000187820 [0,1,0,0,0,0|2,0,1]=4 1018 B12R0.215 CCCCC(CC)C(=O)CC(=O)N 1458a_100134613110_200011216223 [0,1,0,0,0,0|2,0,1]=4 1019 B12R0.215 CCCCC(CC)C(=O)CC(=O)[O-] 1458a_100000211130_100020667443 [0,1,0,0,0,0|2,0,1]=4 1020 B12R0.215 CCCCC(CC)C(=O)CC(C)C 1458a_100000210554_200011216223 [0,1,0,0,0,0|1,0,0]=2 1021 B12R0.215 CCCCC(CC)C(=O)CC(C)C 1458a_100000211130_100000210624 [0,1,0,0,0,0|1,0,0]=2 1022 B12R0.215 CCCCC(CC)C(=O)CC(C)O 1458a_100000211130_100011218427 [0,1,0,0,0,0|1,0,0]=2 1023 B12R0.215 CCCCC(CC)C(=O)CC(F)F 1458a_100000211130_100011934356 [0,1,0,0,0,0|2,0,0]=3 1024 B12R0.215 CCCCC(CC)C(=O)CN(C)C 1458a_100000750896_200011216223 [0,1,0,0,0,0|2,0,0]=3 1025 B12R0.215 CCCCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_200011216223 [0,1,0,0,0,0|1,0,0]=2 1026 B12R0.215 CCCCC(CC)C(=O)C[N+](=O)[O-] 1458a_100000211130_100000761209 [0,1,0,0,0,0|3,0,0]=4 1027 B12R0.215 CCCCC(CC)C(=O)C[S+](C)C 1458a_200159257847_200011216223 [0,1,0,0,0,0|2,0,0]=3 1028 B12R0.215 CCCCC(CC)C(=O)NC(C)C 11a_100138425928_100000211130 [0,1,0,0,0,0|1,0,0]=2 1029 B12R0.215 CCCCC(CC)C(=O)NC(C)C 1626a_100138425928_100000211130 [0,1,0,0,0,0|1,0,0]=2 1030 B12R0.215 CCCCC(CC)C(=O)NC(C)C 240690a_100138425928_100000211130 [0,1,0,0,0,0|1,0,0]=2 1031 B12R0.215 CCCCC(CC)C(=O)NC(C)C 527a_100138425928_100000211130 [0,1,0,0,0,0|1,0,0]=2 1032 B12R0.215 CCCCC(CC)C(C)OC(C)C 34a_200011290779_100000210206 [0,1,0,0,0,0|1,0,1]=3 1033 B12R0.215 CCCCC(CC)C(C)OC(C)C 7a_200011290779_100000210206 [0,1,0,0,0,0|1,0,1]=3 1034 B12R0.215 CCCCC(CC)N(C)CC(C)C 269982a_100000747067_200011216223 [0,1,0,0,0,0|3,0,0]=4 1035 B12R0.215 CCCCC(CC)N(C)CC(C)C 270004a_100000747067_100000753412 [0,1,0,0,0,0|3,0,0]=4 1036 B12R0.215 CCCCC(CC)N(C)CC(C)O 269982a_100000227577_200011216223 [0,1,0,0,0,0|3,0,0]=4 1037 B12R0.215 CCCCC(CC)N(C)CC(C)O 270004a_100000227577_100000753412 [0,1,0,0,0,0|3,0,0]=4 1038 B12R0.215 CCCCN(CC)C(=O)C=C(C)C 11a_100000207695_100000211388 [0,1,0,0,0,0|2,0,1]=4 1039 B12R0.215 CCCCN(CC)C(=O)C=C(C)C 1626a_100000207695_100000211388 [0,1,0,0,0,0|2,0,1]=4 1040 B12R0.215 CCCCN(CC)C(=O)C=C(C)C 240690a_100000207695_100000211388 [0,1,0,0,0,0|2,0,1]=4 1041 B12R0.215 CCCCN(CC)C(=O)C=C(C)Cl 11a_100000207695_200042562850 [0,1,0,0,0,0|2,0,1]=4 1042 B12R0.215 CCCCN(CC)C(=O)C=C(C)Cl 1626a_100000207695_200042562850 [0,1,0,0,0,0|2,0,1]=4 1043 B12R0.215 CCCCN(CC)C(=O)C=C(C)Cl 240690a_100000207695_200042562850 [0,1,0,0,0,0|2,0,1]=4 1044 B12R0.215 CCCCN(CC)C(=O)C=C(C)I 11a_100000207695_100025716642 [0,1,0,0,0,0|2,0,1]=4 1045 B12R0.215 CCCCN(CC)C(=O)C=C(C)I 1626a_100000207695_100025716642 [0,1,0,0,0,0|2,0,1]=4 1046 B12R0.215 CCCCN(CC)C(=O)CC(=O)C 1458a_100000070787_100000230192 [0,1,0,0,0,0|2,0,1]=4 1047 B12R0.215 CCCCN(CC)C(=O)CC(C)C 11a_100000207695_100000210554 [0,1,0,0,0,0|2,0,0]=3 1048 B12R0.215 CCCCN(CC)C(=O)CC(C)C 1626a_100000207695_100000210554 [0,1,0,0,0,0|2,0,0]=3 1049 B12R0.215 CCCCN(CC)C(=O)CC(C)C 240690a_100000207695_100000210554 [0,1,0,0,0,0|2,0,0]=3 1050 B12R0.215 CCCCN(CC)C(=O)CC(C)C 527a_100000207695_100000210554 [0,1,0,0,0,0|2,0,0]=3 1051 B12R0.215 CCCCN(CC)C(=O)CN(C)C 11a_100000207695_100000750896 [0,1,0,0,0,0|3,0,0]=4 1052 B12R0.215 CCCCN(CC)C(=O)CN(C)C 2230a_100102631434_100000230192 [0,1,0,0,0,0|3,0,0]=4 1053 B12R0.215 CCCCN(CC)C(=O)CN(C)C 240690a_100000207695_100000750896 [0,1,0,0,0,0|3,0,0]=4 1054 B12R0.215 CCCCN(CC)C(=O)CN(C)C 269982a_100102631434_100000230192 [0,1,0,0,0,0|3,0,0]=4 1055 B12R0.215 CCCCN(CC)C(=O)CN(C)C 527a_100000207695_100000750896 [0,1,0,0,0,0|3,0,0]=4 1056 B12R0.215 CCCCN(CC)C(=O)C[C@@H](C)O 240690a_100000207695_100011933948 [0,1,0,0,0,0|2,0,0]=3 1057 B12R0.215 CCCCN(CC)C(=O)C[S+](C)C 11a_100000207695_200159257847 [0,1,0,0,0,0|3,0,0]=4 1058 B12R0.215 CCCCN(CC)C(=O)C[S+](C)C 1626a_100000207695_200159257847 [0,1,0,0,0,0|3,0,0]=4 1059 B12R0.215 CCCCN(CC)C(=O)C[S+](C)C 240690a_100000207695_200159257847 [0,1,0,0,0,0|3,0,0]=4 1060 B12R0.215 CCCCN(CC)C(=O)C[S+](C)C 527a_100000207695_200159257847 [0,1,0,0,0,0|3,0,0]=4 1061 B12R0.215 CCCCN(CC)C(=O)NC(C)C 2708a_100138425928_100000207695 [0,1,0,0,0,0|2,0,0]=3 1062 B12R0.215 CCCCN(CC)C(=O)NC(C)C 273464a_100138425928_100000207695 [0,1,0,0,0,0|2,0,0]=3 1063 B12R0.215 CCCOC(CC)C(=O)NC(C)C 34a_100000210258_200011763342 [0,1,0,0,0,0|2,0,0]=3 1064 B12R0.215 CCCSC(CC)C(=O)NC(C)C 62a_100000210303_200011763342 [0,1,0,0,0,0|2,0,0]=3 1065 B12R0.215 CCCSC(CC)C(=O)NC(C)C 62a_200011763342_100000210303 [0,1,0,0,0,0|2,0,0]=3 1066 B12R0.215 CCN(CCOC)C(=O)CC(C)C 11a_100000731262_100000210554 [0,1,0,0,0,0|3,0,0]=4 1067 B12R0.215 CCN(CCOC)C(=O)CC(C)C 1626a_100000731262_100000210554 [0,1,0,0,0,0|3,0,0]=4 1068 B12R0.215 CCN(CCOC)C(=O)CC(C)C 240690a_100000731262_100000210554 [0,1,0,0,0,0|3,0,0]=4 1069 B12R0.215 CCN(CCOC)C(=O)CC(C)C 527a_100000731262_100000210554 [0,1,0,0,0,0|3,0,0]=4 1070 B12R0.215 CCN(CCOC)C(=O)C[C@@H](C)O 240690a_100000731262_100011933948 [0,1,0,0,0,0|3,0,0]=4 1071 B12R0.215 CCN(CCOC)C(=O)NC(C)C 2708a_100138425928_100000731262 [0,1,0,0,0,0|3,0,0]=4 1072 B12R0.215 CCN(CCOC)C(=O)NC(C)C 273464a_100138425928_100000731262 [0,1,0,0,0,0|3,0,0]=4 1073 B12R0.289 C#CC(OCC)C(CC)CCCC 34a_200011216404_100000210202 [0,1,0,0,0,0|1,0,1]=3 1074 B12R0.289 C#CC(OCC)C(CC)CCCC 7a_200011216404_100000210202 [0,1,0,0,0,0|1,0,1]=3 1075 B12R0.289 C#CC(OCF)C(CC)CCCC 34a_200011216404_100015361967 [0,1,0,0,0,0|2,0,1]=4 1076 B12R0.289 C#CC(OCF)C(CC)CCCC 7a_200011216404_100015361967 [0,1,0,0,0,0|2,0,1]=4 1077 B12R0.289 CCCCC(CC)N(CC)CCC 269982a_100000226822_200011216223 [0,1,0,0,0,0|3,0,0]=4 1078 B12R0.289 CCCCC(CC)N(CC)CCC 270004a_100000226822_100000753412 [0,1,0,0,0,0|3,0,0]=4 1079 B12R0.290 C#CC(C)C(=O)C(CC)CCCC 1458a_100000211130_200000035995 [0,1,0,0,0,0|1,0,2]=4 1080 B12R0.290 C/C=C(\C)/C(=O)C(CC)CCCC 1458a_100020587367_200011216223 [0,1,0,0,0,0|1,0,1]=3 1081 B12R0.290 C/C=C(\C)/C(=O)N(CC)CCCC 11a_100000207695_100020587367 [0,1,0,0,0,0|2,0,1]=4 1082 B12R0.290 C/C=C(\C)/C(=O)N(CC)CCCC 1626a_100000207695_100020587367 [0,1,0,0,0,0|2,0,1]=4 1083 B12R0.290 C=CC(C)C(=O)C(CC)CCCC 1458a_100011216780_200011216223 [0,1,0,0,0,0|1,0,2]=4 1084 B12R0.290 CCC(C)C(=O)N(CC)CCOC 11a_100000731262_100011192722 [0,1,0,0,0,0|3,0,0]=4 1085 B12R0.290 CCC(C)C(=O)N(CC)CCOC 1626a_100000731262_100011192722 [0,1,0,0,0,0|3,0,0]=4 1086 B12R0.290 CCC(C)C(=O)N(CC)CCOC 240690a_100000731262_100011192722 [0,1,0,0,0,0|3,0,0]=4 1087 B12R0.290 CCC(C)C(=O)N(CC)CCOC 527a_100000731262_100011192722 [0,1,0,0,0,0|3,0,0]=4 1088 B12R0.290 CCC(O)C(=O)N(CC)CCOC 240690a_100000731262_100011196387 [0,1,0,0,0,0|3,0,0]=4 1089 B12R0.290 CCCCC(CC)C(=O)C(=O)NC 1458a_100011218921_200011216223 [0,1,0,0,0,0|2,0,0]=3 1090 B12R0.290 CCCCC(CC)C(=O)C(C)C#N 1458a_100000211130_100000703298 [0,1,0,0,0,0|2,0,1]=4 1091 B12R0.290 CCCCC(CC)C(=O)C(C)C#N 1458a_100000753662_200011216223 [0,1,0,0,0,0|2,0,1]=4 1092 B12R0.290 CCCCC(CC)C(=O)C(C)CC 1458a_100000211130_100000758301 [0,1,0,0,0,0|1,0,0]=2 1093 B12R0.290 CCCCC(CC)C(=O)C(C)CC 1458a_100011192722_200011216223 [0,1,0,0,0,0|1,0,0]=2 1094 B12R0.290 CCCCC(CC)C(=O)C(C)OC 1458a_100000743197_200011216223 [0,1,0,0,0,0|2,0,0]=3 1095 B12R0.290 CCCCC(CC)C(=O)C(C)SC 1458a_100000149566_200011216223 [0,1,0,0,0,0|2,0,0]=3 1096 B12R0.290 CCCCC(CC)C(=O)C(O)CC 1458a_100011196387_200011216223 [0,1,0,0,0,0|1,0,0]=2 1097 B12R0.290 CCCCC(CC)C(=O)C(O)CO 1458a_100011215603_200011216223 [0,1,0,0,0,0|2,0,0]=3 1098 B12R0.290 CCCCC(CC)C(=O)N(C)CC 11a_100000225621_100000211130 [0,1,0,0,0,0|1,0,0]=2 1099 B12R0.290 CCCCC(CC)C(=O)N(C)CC 1626a_100000225621_100000211130 [0,1,0,0,0,0|1,0,0]=2 1100 B12R0.290 CCCCC(CC)C(=O)N(C)CC 240690a_100000225621_100000211130 [0,1,0,0,0,0|1,0,0]=2 1101 B12R0.290 CCCCC(CC)C(=O)N(C)CC 527a_100000225621_100000211130 [0,1,0,0,0,0|1,0,0]=2 1102 B12R0.290 CCCCC(CC)N(C)C(C)CC 269982a_100000741768_200011216223 [0,1,0,0,0,0|3,0,0]=4 1103 B12R0.290 CCCCC(CC)N(C)C(C)CC 270004a_100000741768_100000753412 [0,1,0,0,0,0|3,0,0]=4 1104 B12R0.290 CCCCN(CC)C(=O)C(=O)NC 1626a_100000207695_100011218921 [0,1,0,0,0,0|3,0,0]=4 1105 B12R0.290 CCCCN(CC)C(=O)C(=O)NC 240690a_100000207695_100011218921 [0,1,0,0,0,0|3,0,0]=4 1106 B12R0.290 CCCCN(CC)C(=O)C(=O)NC 527a_100000207695_100011218921 [0,1,0,0,0,0|3,0,0]=4 1107 B12R0.290 CCCCN(CC)C(=O)C(=O)OC 11a_100000207695_100000024059 [0,1,0,0,0,0|3,0,0]=4 1108 B12R0.290 CCCCN(CC)C(=O)C(=O)OC 1626a_100000207695_100000024059 [0,1,0,0,0,0|3,0,0]=4 1109 B12R0.290 CCCCN(CC)C(=O)C(=O)OC 240690a_100000207695_100000024059 [0,1,0,0,0,0|3,0,0]=4 1110 B12R0.290 CCCCN(CC)C(=O)C(=O)OC 527a_100000207695_100000024059 [0,1,0,0,0,0|3,0,0]=4 1111 B12R0.290 CCCCN(CC)C(=O)C(C)CC 11a_100000207695_100011192722 [0,1,0,0,0,0|2,0,0]=3 1112 B12R0.290 CCCCN(CC)C(=O)C(C)CC 1626a_100000207695_100011192722 [0,1,0,0,0,0|2,0,0]=3 1113 B12R0.290 CCCCN(CC)C(=O)C(C)CC 240690a_100000207695_100011192722 [0,1,0,0,0,0|2,0,0]=3 1114 B12R0.290 CCCCN(CC)C(=O)C(C)CC 527a_100000207695_100011192722 [0,1,0,0,0,0|2,0,0]=3 1115 B12R0.290 CCCCN(CC)C(=O)C(C)OC 11a_100000207695_100000743197 [0,1,0,0,0,0|3,0,0]=4 1116 B12R0.290 CCCCN(CC)C(=O)C(C)OC 1626a_100000207695_100000743197 [0,1,0,0,0,0|3,0,0]=4 1117 B12R0.290 CCCCN(CC)C(=O)C(C)OC 240690a_100000207695_100000743197 [0,1,0,0,0,0|3,0,0]=4 1118 B12R0.290 CCCCN(CC)C(=O)C(C)OC 527a_100000207695_100000743197 [0,1,0,0,0,0|3,0,0]=4 1119 B12R0.290 CCCCN(CC)C(=O)C(C)SC 11a_100000207695_100000149566 [0,1,0,0,0,0|3,0,0]=4 1120 B12R0.290 CCCCN(CC)C(=O)C(C)SC 1626a_100000207695_100000149566 [0,1,0,0,0,0|3,0,0]=4 1121 B12R0.290 CCCCN(CC)C(=O)C(C)SC 240690a_100000207695_100000149566 [0,1,0,0,0,0|3,0,0]=4 1122 B12R0.290 CCCCN(CC)C(=O)C(C)SC 527a_100000207695_100000149566 [0,1,0,0,0,0|3,0,0]=4 1123 B12R0.290 CCCCN(CC)C(=O)C(O)CC 240690a_100000207695_100011196387 [0,1,0,0,0,0|2,0,0]=3 1124 B12R0.290 CCCCN(CC)C(=O)C(O)CO 240690a_100000207695_100011215603 [0,1,0,0,0,0|3,0,0]=4 1125 B12R0.337 C#CCNC(C(=O)OCC)C(C)C 34a_100000212058_100000740032 [0,1,0,0,0,0|1,0,2]=4 1126 B12R0.337 C#CCOC(C(=O)OCC)C(C)C 34a_100000210247_100000740032 [0,1,0,0,0,0|1,0,2]=4 1127 B12R0.337 C#CCSC(C(=O)OCC)C(C)C 62a_100000038162_100000740032 [0,1,0,0,0,0|1,0,2]=4 1128 B12R0.337 C=CCOC(C(=O)OCC)C(C)C 34a_200000210373_100000740032 [0,1,0,0,0,0|1,0,2]=4 1129 B12R0.337 C=CCSC(C(=O)OCC)C(C)C 62a_100000210623_100000740032 [0,1,0,0,0,0|1,0,2]=4 1130 B12R0.337 C=CCSC(C(=O)OCC)C(C)C 62a_100000740032_100000210623 [0,1,0,0,0,0|1,0,2]=4 1131 B12R0.337 CC=CC(=O)N(CCCC)C(C)C 11a_100000207398_100000210699 [0,1,0,0,0,0|2,0,1]=4 1132 B12R0.337 CC=CC(=O)N(CCCC)C(C)C 1626a_100000207398_100000210699 [0,1,0,0,0,0|2,0,1]=4 1133 B12R0.337 CC=CC(=O)N(CCCC)C(C)C 240690a_100000207398_100000210699 [0,1,0,0,0,0|2,0,1]=4 1134 B12R0.337 CCCC(=O)N(CCCO)C(C)C 240690a_100000182298_100000211992 [0,1,0,0,0,0|3,0,0]=4 1135 B12R0.337 CCCC(=O)N(CCCO)C(C)C 527a_100000182298_100000211992 [0,1,0,0,0,0|3,0,0]=4 1136 B12R0.337 CCCC(=O)N(CCOC)C(C)C 11a_200000223778_100000211992 [0,1,0,0,0,0|3,0,0]=4 1137 B12R0.337 CCCC(=O)N(CCOC)C(C)C 1626a_200000223778_100000211992 [0,1,0,0,0,0|3,0,0]=4 1138 B12R0.337 CCCC(=O)N(CCOC)C(C)C 240690a_200000223778_100000211992 [0,1,0,0,0,0|3,0,0]=4 1139 B12R0.337 CCCC(=O)N(CCOC)C(C)C 527a_200000223778_100000211992 [0,1,0,0,0,0|3,0,0]=4 1140 B12R0.337 CCCCC(C(=O)C)C(=O)OCC 1458a_100000070787_200009813700 [0,1,0,0,0,0|0,0,1]=2 1141 B12R0.337 CCCCC(C(=O)N)C(=O)CCC 1458a_100000211992_100000748834 [0,1,0,0,0,0|2,0,1]=4 1142 B12R0.337 CCCCC(C(=O)OCC)N(C)C 2230a_100102631434_200009813700 [0,1,0,0,0,0|1,0,0]=2 1143 B12R0.337 CCCCC(C(=O)OCC)N(C)C 269982a_100102631434_200009813700 [0,1,0,0,0,0|1,0,0]=2 1144 B12R0.337 CCCCC(C(C)C)N(C)CCC 270004a_100000747261_200011215219 [0,1,0,0,0,0|3,0,0]=4 1145 B12R0.337 CCCCN(C(=O)CCC)C(C)C 11a_100000207398_100000211992 [0,1,0,0,0,0|2,0,0]=3 1146 B12R0.337 CCCCN(C(=O)CCC)C(C)C 1626a_100000207398_100000211992 [0,1,0,0,0,0|2,0,0]=3 1147 B12R0.337 CCCCN(C(=O)CCC)C(C)C 240690a_100000207398_100000211992 [0,1,0,0,0,0|2,0,0]=3 1148 B12R0.337 CCCCN(C(=O)CCC)C(C)C 527a_100000207398_100000211992 [0,1,0,0,0,0|2,0,0]=3 1149 B12R0.337 CCCCN(C(=O)CCO)C(C)C 240690a_100000207398_100011216618 [0,1,0,0,0,0|3,0,0]=4 1150 B12R0.337 CCCCN(C(=O)COC)C(C)C 11a_100000207398_100000210968 [0,1,0,0,0,0|3,0,0]=4 1151 B12R0.337 CCCCN(C(=O)COC)C(C)C 1626a_100000207398_100000210968 [0,1,0,0,0,0|3,0,0]=4 1152 B12R0.337 CCCCN(C(=O)COC)C(C)C 240690a_100000207398_100000210968 [0,1,0,0,0,0|3,0,0]=4 1153 B12R0.337 CCCCN(C(=O)COC)C(C)C 527a_100000207398_100000210968 [0,1,0,0,0,0|3,0,0]=4 1154 B12R0.337 CCCCN(C(=O)CSC)C(C)C 11a_100000207398_100000184570 [0,1,0,0,0,0|3,0,0]=4 1155 B12R0.337 CCCCN(C(=O)CSC)C(C)C 1626a_100000207398_100000184570 [0,1,0,0,0,0|3,0,0]=4 1156 B12R0.337 CCCCN(C(=O)CSC)C(C)C 240690a_100000207398_100000184570 [0,1,0,0,0,0|3,0,0]=4 1157 B12R0.337 CCCCN(C(=O)CSC)C(C)C 527a_100000207398_100000184570 [0,1,0,0,0,0|3,0,0]=4 1158 B12R0.337 CCCCN(C(=O)NCC)C(C)C 2708a_100015525214_100000207398 [0,1,0,0,0,0|2,0,0]=3 1159 B12R0.337 CCCCN(C(=O)NCC)C(C)C 273464a_100015525214_100000207398 [0,1,0,0,0,0|2,0,0]=3 1160 B12R0.337 CCCOC(C(=O)C)C(=O)OCC 34a_100000210258_100009831564 [0,1,0,0,0,0|1,0,1]=3 1161 B12R0.337 CCCOC(C(=O)OCC)C(C)C 34a_100000210258_100000740032 [0,1,0,0,0,0|1,0,0]=2 1162 B12R0.337 CCCSC(C(=O)C)C(=O)OCC 62a_100000210303_100000211040 [0,1,0,0,0,0|1,0,1]=3 1163 B12R0.337 CCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000210303 [0,1,0,0,0,0|1,0,1]=3 1164 B12R0.337 CCCSC(C(=O)OCC)C(C)C 62a_100000210303_100000740032 [0,1,0,0,0,0|1,0,0]=2 1165 B12R0.337 CCCSC(C(=O)OCC)C(C)C 62a_100000740032_100000210303 [0,1,0,0,0,0|1,0,0]=2 1166 B12R0.337 CCNC(=O)N(CCCO)C(C)C 2708a_100015525214_100000182298 [0,1,0,0,0,0|3,0,0]=4 1167 B12R0.337 CCNC(=O)N(CCCO)C(C)C 273464a_100015525214_100000182298 [0,1,0,0,0,0|3,0,0]=4 1168 B12R0.337 CCNC(=O)N(CCOC)C(C)C 2708a_100015525214_200000223778 [0,1,0,0,0,0|3,0,0]=4 1169 B12R0.337 CCNC(=O)N(CCOC)C(C)C 273464a_100015525214_200000223778 [0,1,0,0,0,0|3,0,0]=4 1170 B12R0.337 CCNN=C(C(=O)OCC)C(C)C 4a_100000756455_100000211509 [0,1,0,0,0,0|2,0,1]=4 1171 B12R0.337 CCOC(=O)C(NCCF)C(=O)C 34a_100000724931_100009831564 [0,1,0,0,0,0|2,0,1]=4 1172 B12R0.337 CCOC(=O)C(NCCF)C(C)C 34a_100000724931_100000740032 [0,1,0,0,0,0|2,0,0]=3 1173 B12R0.337 CCOC(=O)C(NCCO)C(=O)C 34a_100016990907_100009831564 [0,1,0,0,0,0|2,0,1]=4 1174 B12R0.337 CCOC(=O)C(NCCO)C(C)C 34a_100016990907_100000740032 [0,1,0,0,0,0|2,0,0]=3 1175 B12R0.337 CCOC(=O)C(OCCBr)C(=O)C 34a_100000211926_100009831564 [0,1,0,0,0,0|2,0,1]=4 1176 B12R0.337 CCOC(=O)C(OCCBr)C(C)C 34a_100000211926_100000740032 [0,1,0,0,0,0|2,0,0]=3 1177 B12R0.337 CCOC(=O)C(OCCN)C(=O)C 34a_100000210304_100009831564 [0,1,0,0,0,0|2,0,1]=4 1178 B12R0.337 CCOC(=O)C(OCCN)C(C)C 34a_100000210304_100000740032 [0,1,0,0,0,0|2,0,0]=3 1179 B12R0.337 CCOC(=O)C(SCC#N)C(C)C 62a_100000740032_100011215382 [0,1,0,0,0,0|2,0,1]=4 1180 B12R0.337 CCOC(=O)C(SCC#N)C(C)C 62a_100011215382_100000740032 [0,1,0,0,0,0|2,0,1]=4 1181 B12R0.337 CCOC(=O)C(SCC=O)C(C)C 62a_100000740032_200015260668 [0,1,0,0,0,0|2,0,1]=4 1182 B12R0.337 CCOC(=O)C(SCC=O)C(C)C 62a_200015260668_100000740032 [0,1,0,0,0,0|2,0,1]=4 1183 B12R0.337 CCOC(=O)C(SCCF)C(=O)C 62a_100000211040_100011217306 [0,1,0,0,0,0|2,0,1]=4 1184 B12R0.337 CCOC(=O)C(SCCF)C(=O)C 62a_100011217306_100000211040 [0,1,0,0,0,0|2,0,1]=4 1185 B12R0.337 CCOC(=O)C(SCCF)C(C)C 62a_100000740032_100011217306 [0,1,0,0,0,0|2,0,0]=3 1186 B12R0.337 CCOC(=O)C(SCCF)C(C)C 62a_100011217306_100000740032 [0,1,0,0,0,0|2,0,0]=3 1187 B12R0.337 CCOC(=O)C(SCCO)C(=O)C 62a_100000211040_100000211926 [0,1,0,0,0,0|2,0,1]=4 1188 B12R0.337 CCOC(=O)C(SCCO)C(=O)C 62a_100000211926_100000211040 [0,1,0,0,0,0|2,0,1]=4 1189 B12R0.337 CCOC(=O)C(SCCO)C(C)C 62a_100000211926_100000740032 [0,1,0,0,0,0|2,0,0]=3 1190 B12R0.337 CCOC(=O)C(SCCO)C(C)C 62a_100000740032_100000211926 [0,1,0,0,0,0|2,0,0]=3 1191 B12R0.337 CCOC(=O)C(SCOC)C(=O)C 62a_100000211040_100000766300 [0,1,0,0,0,0|2,0,1]=4 1192 B12R0.337 CCOC(=O)C(SCOC)C(=O)C 62a_100000766300_100000211040 [0,1,0,0,0,0|2,0,1]=4 1193 B12R0.337 CCOC(=O)C(SCOC)C(C)C 62a_100000740032_100000766300 [0,1,0,0,0,0|2,0,0]=3 1194 B12R0.337 CCOC(=O)C(SCOC)C(C)C 62a_100000766300_100000740032 [0,1,0,0,0,0|2,0,0]=3 1195 B12R0.337 CCOC(=O)C(SCSC)C(=O)C 62a_100000211040_100011218213 [0,1,0,0,0,0|2,0,1]=4 1196 B12R0.337 CCOC(=O)C(SCSC)C(=O)C 62a_100011218213_100000211040 [0,1,0,0,0,0|2,0,1]=4 1197 B12R0.337 CCOC(=O)C(SCSC)C(C)C 62a_100000740032_100011218213 [0,1,0,0,0,0|2,0,0]=3 1198 B12R0.337 CCOC(=O)C(SCSC)C(C)C 62a_100011218213_100000740032 [0,1,0,0,0,0|2,0,0]=3 1199 B12R0.351 C#CCCC(=O)C(CC)CCCC 1458a_100000211130_100000753159 [0,1,0,0,0,0|1,0,1]=3 1200 B12R0.351 C#CCCC(=O)C(CC)CCCC 1458a_100000692101_200011216223 [0,1,0,0,0,0|1,0,1]=3 1201 B12R0.351 C#CCCC(=O)N(CC)CCCC 11a_100000207695_100000692101 [0,1,0,0,0,0|2,0,1]=4 1202 B12R0.351 C#CCCC(=O)N(CC)CCCC 1626a_100000207695_100000692101 [0,1,0,0,0,0|2,0,1]=4 1203 B12R0.351 C#CCCC(=O)N(CC)CCCC 240690a_100000207695_100000692101 [0,1,0,0,0,0|2,0,1]=4 1204 B12R0.351 C#CCCC(=O)N(CC)CCCC 527a_100000207695_100000692101 [0,1,0,0,0,0|2,0,1]=4 1205 B12R0.351 C#CCNC(=O)C(CC)CCCC 11a_100000212058_100000211130 [0,1,0,0,0,0|1,0,1]=3 1206 B12R0.351 C#CCNC(=O)C(CC)CCCC 1626a_100000212058_100000211130 [0,1,0,0,0,0|1,0,1]=3 1207 B12R0.351 C#CCNC(=O)C(CC)CCCC 240690a_100000212058_100000211130 [0,1,0,0,0,0|1,0,1]=3 1208 B12R0.351 C#CCNC(=O)C(CC)CCCC 527a_100000212058_100000211130 [0,1,0,0,0,0|1,0,1]=3 1209 B12R0.351 C#CCNC(=O)N(CC)CCCC 2708a_100000212058_100000207695 [0,1,0,0,0,0|2,0,1]=4 1210 B12R0.351 C#CCNC(=O)N(CC)CCCC 273464a_100000212058_100000207695 [0,1,0,0,0,0|2,0,1]=4 1211 B12R0.351 C#CCOC(C)C(CC)CCCC 34a_200011290779_100000184674 [0,1,0,0,0,0|1,0,2]=4 1212 B12R0.351 C#CCOC(C)C(CC)CCCC 7a_200011290779_100000038162 [0,1,0,0,0,0|1,0,2]=4 1213 B12R0.351 C/C=C/CC(=O)C(CC)CCCC 1458a_100000211130_100102629194 [0,1,0,0,0,0|1,0,1]=3 1214 B12R0.351 C=CC=CC(=O)C(CC)CCCC 1458a_100016291481_200011216223 [0,1,0,0,0,0|1,0,2]=4 1215 B12R0.351 C=CCCC(=O)C(CC)CCCC 1458a_100000211130_100000754431 [0,1,0,0,0,0|1,0,1]=3 1216 B12R0.351 C=CCCC(=O)C(CC)CCCC 1458a_100000749702_200011216223 [0,1,0,0,0,0|1,0,1]=3 1217 B12R0.351 C=CCCC(=O)N(CC)CCCC 11a_100000207695_100000749702 [0,1,0,0,0,0|2,0,1]=4 1218 B12R0.351 C=CCCC(=O)N(CC)CCCC 1626a_100000207695_100000749702 [0,1,0,0,0,0|2,0,1]=4 1219 B12R0.351 C=CCCC(=O)N(CC)CCCC 240690a_100000207695_100000749702 [0,1,0,0,0,0|2,0,1]=4 1220 B12R0.351 C=CCCC(=O)N(CC)CCCC 527a_100000207695_100000749702 [0,1,0,0,0,0|2,0,1]=4 1221 B12R0.351 C=CCNC(=O)C(CC)CCCC 1626a_100020586998_100000211130 [0,1,0,0,0,0|1,0,1]=3 1222 B12R0.351 C=CCNC(=O)C(CC)CCCC 240690a_100020586998_100000211130 [0,1,0,0,0,0|1,0,1]=3 1223 B12R0.351 C=CCNC(=O)C(CC)CCCC 527a_100020586998_100000211130 [0,1,0,0,0,0|1,0,1]=3 1224 B12R0.351 C=CCNC(=O)N(CC)CCCC 273464a_100020586998_100000207695 [0,1,0,0,0,0|2,0,1]=4 1225 B12R0.351 C=CCOC(C)C(CC)CCCC 34a_200011290779_100015514636 [0,1,0,0,0,0|1,0,2]=4 1226 B12R0.351 C=CCOC(C)C(CC)CCCC 7a_200011290779_100015514636 [0,1,0,0,0,0|1,0,2]=4 1227 B12R0.351 CC#CCC(=O)C(CC)CCCC 1458a_100000211130_100000748600 [0,1,0,0,0,0|1,0,1]=3 1228 B12R0.351 CC=CCC(=O)C(CC)CCCC 1458a_100000211130_100000070051 [0,1,0,0,0,0|1,0,1]=3 1229 B12R0.351 CC=CCC(=O)C(CC)CCCC 1458a_100121576822_200011216223 [0,1,0,0,0,0|1,0,1]=3 1230 B12R0.351 CC=CCC(=O)N(CC)CCCC 11a_100000207695_100121576822 [0,1,0,0,0,0|2,0,1]=4 1231 B12R0.351 CC=CCC(=O)N(CC)CCCC 1626a_100000207695_100121576822 [0,1,0,0,0,0|2,0,1]=4 1232 B12R0.351 CC=CCC(=O)N(CC)CCCC 240690a_100000207695_100121576822 [0,1,0,0,0,0|2,0,1]=4 1233 B12R0.351 CC=CCC(=O)N(CC)CCCC 527a_100000207695_100121576822 [0,1,0,0,0,0|2,0,1]=4 1234 B12R0.351 CCC#CC(=O)C(CC)CCCC 1458a_100011827653_200011216223 [0,1,0,0,0,0|1,0,0]=2 1235 B12R0.351 CCC=CC(=O)C(CC)CCCC 1458a_100000212282_200011216223 [0,1,0,0,0,0|1,0,0]=2 1236 B12R0.351 CCC=CC(=O)N(CC)CCCC 11a_100000207695_100000212282 [0,1,0,0,0,0|2,0,0]=3 1237 B12R0.351 CCC=CC(=O)N(CC)CCCC 1626a_100000207695_100000212282 [0,1,0,0,0,0|2,0,0]=3 1238 B12R0.351 CCC=CC(=O)N(CC)CCCC 240690a_100000207695_100000212282 [0,1,0,0,0,0|2,0,0]=3 1239 B12R0.351 CCC=CC(=O)N(CC)CCOC 11a_100000731262_100000212282 [0,1,0,0,0,0|3,0,0]=4 1240 B12R0.351 CCC=CC(=O)N(CC)CCOC 1626a_100000731262_100000212282 [0,1,0,0,0,0|3,0,0]=4 1241 B12R0.351 CCC=CC(=O)N(CC)CCOC 240690a_100000731262_100000212282 [0,1,0,0,0,0|3,0,0]=4 1242 B12R0.351 CCCCC(=O)C(CC)CCCC 1458a_100000210183_200011216223 [0,1,0,0,0,0|1,0,0]=2 1243 B12R0.351 CCCCC(=O)C(CC)CCCC 1458a_100000211130_100000210211 [0,1,0,0,0,0|1,0,0]=2 1244 B12R0.351 CCCCC(=O)C(CCCC)OC 34a_200000040183_200000210301 [0,1,0,0,0,0|2,0,0]=3 1245 B12R0.351 CCCCC(=O)C(CCCC)OC 7a_200000040183_200000210301 [0,1,0,0,0,0|2,0,0]=3 1246 B12R0.351 CCCCC(=O)C(CCCC)O[13CH3] 34a_200000040183_200025704644 [0,1,0,0,0,0|2,0,0]=3 1247 B12R0.351 CCCCC(=O)C(CCCC)O[13CH3] 7a_200000040183_200025704644 [0,1,0,0,0,0|2,0,0]=3 1248 B12R0.351 CCCCC(=O)N(CC)CCCC 11a_100000207695_100000210183 [0,1,0,0,0,0|2,0,0]=3 1249 B12R0.351 CCCCC(=O)N(CC)CCCC 1626a_100000207695_100000210183 [0,1,0,0,0,0|2,0,0]=3 1250 B12R0.351 CCCCC(=O)N(CC)CCCC 240690a_100000207695_100000210183 [0,1,0,0,0,0|2,0,0]=3 1251 B12R0.351 CCCCC(=O)N(CC)CCCC 527a_100000207695_100000210183 [0,1,0,0,0,0|2,0,0]=3 1252 B12R0.351 CCCCC(=O)N(CC)CCOC 11a_100000731262_100000210183 [0,1,0,0,0,0|3,0,0]=4 1253 B12R0.351 CCCCC(=O)N(CC)CCOC 1626a_100000731262_100000210183 [0,1,0,0,0,0|3,0,0]=4 1254 B12R0.351 CCCCC(=O)N(CC)CCOC 240690a_100000731262_100000210183 [0,1,0,0,0,0|3,0,0]=4 1255 B12R0.351 CCCCC(=O)N(CC)CCOC 527a_100000731262_100000210183 [0,1,0,0,0,0|3,0,0]=4 1256 B12R0.351 CCCCC(CC)C(=O)C#CCO 1458a_100000049017_200011216223 [0,1,0,0,0,0|1,0,1]=3 1257 B12R0.351 CCCCC(CC)C(=O)C=COC 1458a_100016268678_200011216223 [0,1,0,0,0,0|1,0,1]=3 1258 B12R0.351 CCCCC(CC)C(=O)CCC#N 1458a_100000211130_100011215226 [0,1,0,0,0,0|1,0,1]=3 1259 B12R0.351 CCCCC(CC)C(=O)CCC#N 1458a_100011934036_200011216223 [0,1,0,0,0,0|1,0,1]=3 1260 B12R0.351 CCCCC(CC)C(=O)CCCF 1458a_100000211130_100011934791 [0,1,0,0,0,0|1,0,0]=2 1261 B12R0.351 CCCCC(CC)C(=O)CCCO 1458a_100000211130_100011215043 [0,1,0,0,0,0|1,0,0]=2 1262 B12R0.351 CCCCC(CC)C(=O)CCOC 1458a_100000211130_100000233755 [0,1,0,0,0,0|1,0,0]=2 1263 B12R0.351 CCCCC(CC)C(=O)CCOC 1458a_100000749529_200011216223 [0,1,0,0,0,0|1,0,0]=2 1264 B12R0.351 CCCCC(CC)C(=O)CCSC 1458a_100000174002_200011216223 [0,1,0,0,0,0|1,0,0]=2 1265 B12R0.351 CCCCC(CC)C(=O)CCSC 1458a_100000211130_100000751147 [0,1,0,0,0,0|1,0,0]=2 1266 B12R0.351 CCCCC(CC)C(=O)COCC 1458a_100000211967_200011216223 [0,1,0,0,0,0|0,0,0]=1 1267 B12R0.351 CCCCC(CC)C(=O)CSCC 1458a_100000230394_200011216223 [0,1,0,0,0,0|0,1,0]=2 1268 B12R0.351 CCCCC(CC)C(=O)NCC#N 1626a_100000734998_100000211130 [0,1,0,0,0,0|1,0,1]=3 1269 B12R0.351 CCCCC(CC)C(=O)NCC#N 527a_100000734998_100000211130 [0,1,0,0,0,0|1,0,1]=3 1270 B12R0.351 CCCCC(CC)C(=O)NCCC 11a_100020643023_100000211130 [0,1,0,0,0,0|1,0,0]=2 1271 B12R0.351 CCCCC(CC)C(=O)NCCC 1626a_100020643023_100000211130 [0,1,0,0,0,0|1,0,0]=2 1272 B12R0.351 CCCCC(CC)C(=O)NCCC 240690a_100020643023_100000211130 [0,1,0,0,0,0|1,0,0]=2 1273 B12R0.351 CCCCC(CC)C(=O)NCCC 527a_100020643023_100000211130 [0,1,0,0,0,0|1,0,0]=2 1274 B12R0.351 CCCCC(CC)C(=O)NCCF 11a_100000724931_100000211130 [0,1,0,0,0,0|1,0,0]=2 1275 B12R0.351 CCCCC(CC)C(=O)NCCF 1626a_100000724931_100000211130 [0,1,0,0,0,0|1,0,0]=2 1276 B12R0.351 CCCCC(CC)C(=O)NCCF 240690a_100000724931_100000211130 [0,1,0,0,0,0|1,0,0]=2 1277 B12R0.351 CCCCC(CC)C(=O)NCCF 527a_100000724931_100000211130 [0,1,0,0,0,0|1,0,0]=2 1278 B12R0.351 CCCCC(CC)C(=O)NCCO 240690a_100000210304_100000211130 [0,1,0,0,0,0|1,0,0]=2 1279 B12R0.351 CCCCC(CC)C(=O)NCCO 527a_100000210304_100000211130 [0,1,0,0,0,0|1,0,0]=2 1280 B12R0.351 CCCCC(CC)C(=O)NNCC 22a_100000756455_100000211130 [0,1,0,0,0,0|1,0,0]=2 1281 B12R0.351 CCCCC(CC)C(C)OCC#N 7a_200011290779_100011215382 [0,1,0,0,0,0|1,0,2]=4 1282 B12R0.351 CCCCC(CC)C(C)OCC=O 34a_200011290779_200009817547 [0,1,0,0,0,0|1,0,2]=4 1283 B12R0.351 CCCCC(CC)C(C)OCC=O 7a_200011290779_200015260668 [0,1,0,0,0,0|1,0,2]=4 1284 B12R0.351 CCCCC(CC)C(C)OCCC 34a_200011290779_100000210303 [0,1,0,0,0,0|1,0,1]=3 1285 B12R0.351 CCCCC(CC)C(C)OCCC 7a_200011290779_100000210303 [0,1,0,0,0,0|1,0,1]=3 1286 B12R0.351 CCCCC(CC)C(C)OCCF 34a_200011290779_100011217306 [0,1,0,0,0,0|1,0,1]=3 1287 B12R0.351 CCCCC(CC)C(C)OCCF 7a_200011290779_100011217306 [0,1,0,0,0,0|1,0,1]=3 1288 B12R0.351 CCCCC(CC)C(C)OCCO 34a_200011290779_100000211926 [0,1,0,0,0,0|1,0,1]=3 1289 B12R0.351 CCCCC(CC)C(C)OCCO 7a_200011290779_100000211926 [0,1,0,0,0,0|1,0,1]=3 1290 B12R0.351 CCCCC(CC)C(C)OCSC 34a_200011290779_100011218213 [0,1,0,0,0,0|1,0,1]=3 1291 B12R0.351 CCCCC(CC)N(C)CCCC 269982a_100000207549_200011216223 [0,1,0,0,0,0|3,0,0]=4 1292 B12R0.351 CCCCC(CC)N(C)CCCC 270004a_100000207549_100000753412 [0,1,0,0,0,0|3,0,0]=4 1293 B12R0.351 CCCCC(CC)N(C)CCCO 269982a_100000213112_200011216223 [0,1,0,0,0,0|3,0,0]=4 1294 B12R0.351 CCCCC(CC)N(C)CCCO 270004a_100000213112_100000753412 [0,1,0,0,0,0|3,0,0]=4 1295 B12R0.351 CCCCC(CC)N(C)CCOC 269982a_100000743101_200011216223 [0,1,0,0,0,0|3,0,0]=4 1296 B12R0.351 CCCCC(CC)N(C)CCOC 270004a_100000743101_100000753412 [0,1,0,0,0,0|3,0,0]=4 1297 B12R0.351 CCCCC(CC)N(C)CCSC 269982a_100000686725_200011216223 [0,1,0,0,0,0|3,0,0]=4 1298 B12R0.351 CCCCC(CC)N(C)CCSC 270004a_100000686725_100000753412 [0,1,0,0,0,0|3,0,0]=4 1299 B12R0.351 CCCCN(CC)C(=O)C=COC 1626a_100000207695_100016268678 [0,1,0,0,0,0|2,0,1]=4 1300 B12R0.351 CCCCN(CC)C(=O)C=COC 240690a_100000207695_100016268678 [0,1,0,0,0,0|2,0,1]=4 1301 B12R0.351 CCCCN(CC)C(=O)CCC#N 11a_100000207695_100011934036 [0,1,0,0,0,0|2,0,1]=4 1302 B12R0.351 CCCCN(CC)C(=O)CCC#N 1626a_100000207695_100011934036 [0,1,0,0,0,0|2,0,1]=4 1303 B12R0.351 CCCCN(CC)C(=O)CCC#N 240690a_100000207695_100011934036 [0,1,0,0,0,0|2,0,1]=4 1304 B12R0.351 CCCCN(CC)C(=O)CCC#N 527a_100000207695_100011934036 [0,1,0,0,0,0|2,0,1]=4 1305 B12R0.351 CCCCN(CC)C(=O)CCOC 11a_100000207695_100000749529 [0,1,0,0,0,0|2,0,0]=3 1306 B12R0.351 CCCCN(CC)C(=O)CCOC 1626a_100000207695_100000749529 [0,1,0,0,0,0|2,0,0]=3 1307 B12R0.351 CCCCN(CC)C(=O)CCOC 240690a_100000207695_100000749529 [0,1,0,0,0,0|2,0,0]=3 1308 B12R0.351 CCCCN(CC)C(=O)CCOC 527a_100000207695_100000749529 [0,1,0,0,0,0|2,0,0]=3 1309 B12R0.351 CCCCN(CC)C(=O)CCSC 11a_100000207695_100000174002 [0,1,0,0,0,0|2,0,0]=3 1310 B12R0.351 CCCCN(CC)C(=O)CCSC 1626a_100000207695_100000174002 [0,1,0,0,0,0|2,0,0]=3 1311 B12R0.351 CCCCN(CC)C(=O)CCSC 240690a_100000207695_100000174002 [0,1,0,0,0,0|2,0,0]=3 1312 B12R0.351 CCCCN(CC)C(=O)CCSC 527a_100000207695_100000174002 [0,1,0,0,0,0|2,0,0]=3 1313 B12R0.351 CCCCN(CC)C(=O)CNCC 2230a_100015525214_100000230192 [0,1,0,0,0,0|2,0,0]=3 1314 B12R0.351 CCCCN(CC)C(=O)COCC 11a_100000207695_100000211967 [0,1,0,0,0,0|1,0,0]=2 1315 B12R0.351 CCCCN(CC)C(=O)COCC 1626a_100000207695_100000211967 [0,1,0,0,0,0|1,0,0]=2 1316 B12R0.351 CCCCN(CC)C(=O)COCC 240690a_100000207695_100000211967 [0,1,0,0,0,0|1,0,0]=2 1317 B12R0.351 CCCCN(CC)C(=O)COCC 34a_100121572206_100000230192 [0,1,0,0,0,0|1,0,0]=2 1318 B12R0.351 CCCCN(CC)C(=O)COCC 527a_100000207695_100000211967 [0,1,0,0,0,0|1,0,0]=2 1319 B12R0.351 CCCCN(CC)C(=O)CSCC 11a_100000207695_100000230394 [0,1,0,0,0,0|1,1,0]=3 1320 B12R0.351 CCCCN(CC)C(=O)CSCC 1626a_100000207695_100000230394 [0,1,0,0,0,0|1,1,0]=3 1321 B12R0.351 CCCCN(CC)C(=O)CSCC 240690a_100000207695_100000230394 [0,1,0,0,0,0|1,1,0]=3 1322 B12R0.351 CCCCN(CC)C(=O)CSCC 527a_100000207695_100000230394 [0,1,0,0,0,0|1,1,0]=3 1323 B12R0.351 CCCCN(CC)C(=O)CSCC 62a_100000210202_100000230192 [0,1,0,0,0,0|1,1,0]=3 1324 B12R0.351 CCCCN(CC)C(=O)CSCF 62a_100015361967_100000230192 [0,1,0,0,0,0|2,1,0]=4 1325 B12R0.351 CCCCN(CC)C(=O)NCC#N 2708a_100000734998_100000207695 [0,1,0,0,0,0|2,0,1]=4 1326 B12R0.351 CCCCN(CC)C(=O)NCC#N 273464a_100000734998_100000207695 [0,1,0,0,0,0|2,0,1]=4 1327 B12R0.351 CCCCN(CC)C(=O)NCCC 2708a_100020643023_100000207695 [0,1,0,0,0,0|2,0,0]=3 1328 B12R0.351 CCCCN(CC)C(=O)NCCC 273464a_100020643023_100000207695 [0,1,0,0,0,0|2,0,0]=3 1329 B12R0.351 CCCCN(CC)C(=O)NCCF 273464a_100000724931_100000207695 [0,1,0,0,0,0|2,0,0]=3 1330 B12R0.351 CCCCN(CC)C(=O)NCCO 273464a_100000210304_100000207695 [0,1,0,0,0,0|2,0,0]=3 1331 B12R0.351 CCCNC(=O)C(CC)NCCO 2230a_100016997473_200011763335 [0,1,0,0,0,0|3,0,0]=4 1332 B12R0.351 CCCNC(=O)C(CC)SCCC 62a_100000210303_200011763335 [0,1,0,0,0,0|2,0,0]=3 1333 B12R0.351 CCCNC(=O)C(CC)SCCC 62a_200011763335_100000210303 [0,1,0,0,0,0|2,0,0]=3 1334 B12R0.351 CCCNC(=O)C(CC)SCCF 62a_100011217306_200011763335 [0,1,0,0,0,0|3,0,0]=4 1335 B12R0.351 CCCNC(=O)C(CC)SCCF 62a_200011763335_100011217306 [0,1,0,0,0,0|3,0,0]=4 1336 B12R0.351 CCCNC(=O)C(CC)SCCO 62a_100000211926_200011763335 [0,1,0,0,0,0|3,0,0]=4 1337 B12R0.351 CCCNC(=O)C(CC)SCCO 62a_200011763335_100000211926 [0,1,0,0,0,0|3,0,0]=4 1338 B12R0.351 CCCNC(=O)C(CC)SCOC 62a_100000766300_200011763335 [0,1,0,0,0,0|3,0,0]=4 1339 B12R0.351 CCCNC(=O)C(CC)SCOC 62a_200011763335_100000766300 [0,1,0,0,0,0|3,0,0]=4 1340 B12R0.351 CCCNC(=O)C(CC)SCSC 62a_100011218213_200011763335 [0,1,0,0,0,0|3,0,0]=4 1341 B12R0.351 CCCNC(=O)C(CC)SCSC 62a_200011763335_100011218213 [0,1,0,0,0,0|3,0,0]=4 1342 B12R0.351 CCCNC(=O)N(CC)CCOC 2708a_100020643023_100000731262 [0,1,0,0,0,0|3,0,0]=4 1343 B12R0.351 CCCNC(=O)N(CC)CCOC 273464a_100020643023_100000731262 [0,1,0,0,0,0|3,0,0]=4 1344 B12R0.351 CCN(CCOC)C(=O)CCOC 11a_100000731262_100000749529 [0,1,0,0,0,0|3,0,0]=4 1345 B12R0.351 CCN(CCOC)C(=O)CCOC 1626a_100000731262_100000749529 [0,1,0,0,0,0|3,0,0]=4 1346 B12R0.351 CCN(CCOC)C(=O)CCOC 240690a_100000731262_100000749529 [0,1,0,0,0,0|3,0,0]=4 1347 B12R0.351 CCN(CCOC)C(=O)CCOC 527a_100000731262_100000749529 [0,1,0,0,0,0|3,0,0]=4 1348 B12R0.351 CCN(CCOC)C(=O)CCSC 11a_100000731262_100000174002 [0,1,0,0,0,0|3,0,0]=4 1349 B12R0.351 CCN(CCOC)C(=O)CCSC 1626a_100000731262_100000174002 [0,1,0,0,0,0|3,0,0]=4 1350 B12R0.351 CCN(CCOC)C(=O)CCSC 240690a_100000731262_100000174002 [0,1,0,0,0,0|3,0,0]=4 1351 B12R0.351 CCN(CCOC)C(=O)CCSC 527a_100000731262_100000174002 [0,1,0,0,0,0|3,0,0]=4 1352 B12R0.351 CCN(CCOC)C(=O)NCCF 273464a_100000724931_100000731262 [0,1,0,0,0,0|3,0,0]=4 1353 B12R0.351 CCN(CCOC)C(=O)NCCO 273464a_100000210304_100000731262 [0,1,0,0,0,0|3,0,0]=4 1354 B12R0.351 CCOCC(=O)N(CC)CCC#N 11a_100000226048_100000211967 [0,1,0,0,0,0|2,0,1]=4 1355 B12R0.351 CCOCC(=O)N(CC)CCC#N 1626a_100000226048_100000211967 [0,1,0,0,0,0|2,0,1]=4 1356 B12R0.351 CCOCC(=O)N(CC)CCC#N 240690a_100000226048_100000211967 [0,1,0,0,0,0|2,0,1]=4 1357 B12R0.351 CCOCC(=O)N(CC)CCC#N 527a_100000226048_100000211967 [0,1,0,0,0,0|2,0,1]=4 1358 B12R0.351 CCOCC(=O)N(CC)CCOC 11a_100000731262_100000211967 [0,1,0,0,0,0|2,0,0]=3 1359 B12R0.351 CCOCC(=O)N(CC)CCOC 1626a_100000731262_100000211967 [0,1,0,0,0,0|2,0,0]=3 1360 B12R0.351 CCOCC(=O)N(CC)CCOC 240690a_100000731262_100000211967 [0,1,0,0,0,0|2,0,0]=3 1361 B12R0.351 CCOCC(=O)N(CC)CCOC 527a_100000731262_100000211967 [0,1,0,0,0,0|2,0,0]=3 1362 B12R0.351 CCSCC(=O)N(CC)CCOC 11a_100000731262_100000230394 [0,1,0,0,0,0|2,1,0]=4 1363 B12R0.351 CCSCC(=O)N(CC)CCOC 1626a_100000731262_100000230394 [0,1,0,0,0,0|2,1,0]=4 1364 B12R0.351 CCSCC(=O)N(CC)CCOC 240690a_100000731262_100000230394 [0,1,0,0,0,0|2,1,0]=4 1365 B12R0.351 CCSCC(=O)N(CC)CCOC 527a_100000731262_100000230394 [0,1,0,0,0,0|2,1,0]=4 1366 B12R0.363 C#CCC(=O)C(CC)CCCCC 1458a_100000697129_100000184674 [0,1,0,0,0,0|1,0,2]=4 1367 B12R0.363 C#CCCNC(CC)C(=O)OCC 34a_100000755551_100000212269 [0,1,0,0,0,0|0,0,2]=3 1368 B12R0.363 C#CCCNC(SC)C(=O)OCC 34a_100000755551_100009893047 [0,1,0,0,0,0|1,0,2]=4 1369 B12R0.363 C#CCCOC(CC)C(=O)OCC 34a_100011215631_100000212269 [0,1,0,0,0,0|0,0,2]=3 1370 B12R0.363 C#CCCOC(CC)C(=O)OCC 34a_100011216719_100000688953 [0,1,0,0,0,0|0,0,2]=3 1371 B12R0.363 C#CCCOC(CC)C(=O)OCC 7a_100011216719_100000688953 [0,1,0,0,0,0|0,0,2]=3 1372 B12R0.363 C#CCCOC(SC)C(=O)OCC 34a_100011215631_100009893047 [0,1,0,0,0,0|1,0,2]=4 1373 B12R0.363 C#CCCSC(CC)C(=O)OCC 62a_100000212269_100000688953 [0,1,0,0,0,0|0,0,2]=3 1374 B12R0.363 C#CCCSC(CC)C(=O)OCC 62a_100000688953_100000212269 [0,1,0,0,0,0|0,0,2]=3 1375 B12R0.363 C#CCCSC(SC)C(=O)OCC 62a_100000688953_100009893047 [0,1,0,0,0,0|1,0,2]=4 1376 B12R0.363 C#CCCSC(SC)C(=O)OCC 62a_100009893047_100000688953 [0,1,0,0,0,0|1,0,2]=4 1377 B12R0.363 C/C=C/COC(CC)C(=O)OCC 34a_100011216719_100102629194 [0,1,0,0,0,0|0,0,2]=3 1378 B12R0.363 C/C=C/COC(CC)C(=O)OCC 34a_100016270725_100000212269 [0,1,0,0,0,0|0,0,2]=3 1379 B12R0.363 C/C=C/COC(CC)C(=O)OCC 7a_100011216719_100102629194 [0,1,0,0,0,0|0,0,2]=3 1380 B12R0.363 C/C=C/COC(SC)C(=O)OCC 34a_100016270725_100009893047 [0,1,0,0,0,0|1,0,2]=4 1381 B12R0.363 C/C=C/CSC(CC)C(=O)OCC 62a_100000212269_100102629194 [0,1,0,0,0,0|0,0,2]=3 1382 B12R0.363 C/C=C/CSC(CC)C(=O)OCC 62a_100102629194_100000212269 [0,1,0,0,0,0|0,0,2]=3 1383 B12R0.363 C/C=C/CSC(SC)C(=O)OCC 62a_100009893047_100102629194 [0,1,0,0,0,0|1,0,2]=4 1384 B12R0.363 C/C=C/CSC(SC)C(=O)OCC 62a_100102629194_100009893047 [0,1,0,0,0,0|1,0,2]=4 1385 B12R0.363 C=CCC(=O)C(CC)CCCCC 1458a_100000697129_100000210623 [0,1,0,0,0,0|1,0,2]=4 1386 B12R0.363 C=CCCNC(CC)C(=O)OCC 2230a_100015191253_100000212269 [0,1,0,0,0,0|0,0,2]=3 1387 B12R0.363 C=CCCOC(CC)C(=O)OCC 34a_100011205117_100000212269 [0,1,0,0,0,0|0,0,2]=3 1388 B12R0.363 C=CCCOC(CC)C(=O)OCC 34a_100011216719_100000754431 [0,1,0,0,0,0|0,0,2]=3 1389 B12R0.363 C=CCCOC(CC)C(=O)OCC 7a_100011216719_100000754431 [0,1,0,0,0,0|0,0,2]=3 1390 B12R0.363 C=CCCOC(SC)C(=O)OCC 34a_100011205117_100009893047 [0,1,0,0,0,0|1,0,2]=4 1391 B12R0.363 C=CCCSC(CC)C(=O)OCC 62a_100000212269_100000754431 [0,1,0,0,0,0|0,0,2]=3 1392 B12R0.363 C=CCCSC(CC)C(=O)OCC 62a_100000754431_100000212269 [0,1,0,0,0,0|0,0,2]=3 1393 B12R0.363 C=CCCSC(SC)C(=O)OCC 62a_100000754431_100009893047 [0,1,0,0,0,0|1,0,2]=4 1394 B12R0.363 C=CCCSC(SC)C(=O)OCC 62a_100009893047_100000754431 [0,1,0,0,0,0|1,0,2]=4 1395 B12R0.363 CC#CCNC(CC)C(=O)OCC 2230a_100000685387_100000212269 [0,1,0,0,0,0|0,0,2]=3 1396 B12R0.363 CC#CCNC(CC)C(=O)OCC 34a_100000685387_100000212269 [0,1,0,0,0,0|0,0,2]=3 1397 B12R0.363 CC#CCNC(SC)C(=O)OCC 34a_100000685387_100009893047 [0,1,0,0,0,0|1,0,2]=4 1398 B12R0.363 CC#CCOC(CC)C(=O)OCC 34a_100000761923_100000212269 [0,1,0,0,0,0|0,0,2]=3 1399 B12R0.363 CC#CCOC(CC)C(=O)OCC 34a_100011216719_100000748600 [0,1,0,0,0,0|0,0,2]=3 1400 B12R0.363 CC#CCOC(CC)C(=O)OCC 7a_100011216719_100000748600 [0,1,0,0,0,0|0,0,2]=3 1401 B12R0.363 CC#CCOC(SC)C(=O)OCC 34a_100000761923_100009893047 [0,1,0,0,0,0|1,0,2]=4 1402 B12R0.363 CC#CCSC(CC)C(=O)OCC 62a_100000212269_100000748600 [0,1,0,0,0,0|0,0,2]=3 1403 B12R0.363 CC#CCSC(CC)C(=O)OCC 62a_100000748600_100000212269 [0,1,0,0,0,0|0,0,2]=3 1404 B12R0.363 CC#CCSC(SC)C(=O)OCC 62a_100000748600_100009893047 [0,1,0,0,0,0|1,0,2]=4 1405 B12R0.363 CC#CCSC(SC)C(=O)OCC 62a_100009893047_100000748600 [0,1,0,0,0,0|1,0,2]=4 1406 B12R0.363 CC/C=C(\C)/C(CCCCC)OC 34a_200016997515_200000210301 [0,1,0,0,0,0|3,0,0]=4 1407 B12R0.363 CC/C=C(\C)/C(CCCCC)OC 7a_200016997515_200000210301 [0,1,0,0,0,0|3,0,0]=4 1408 B12R0.363 CC/C=C(\C)/C(CCCCC)O[13CH3] 34a_200016997515_200025704644 [0,1,0,0,0,0|3,0,0]=4 1409 B12R0.363 CC/C=C(\C)/C(CCCCC)O[13CH3] 7a_200016997515_200025704644 [0,1,0,0,0,0|3,0,0]=4 1410 B12R0.363 CC=CC(=O)N(CC)CCCCO 240690a_100011217355_100000210699 [0,1,0,0,0,0|2,0,1]=4 1411 B12R0.363 CC=CCOC(CC)C(=O)OCC 34a_100011216719_100000070051 [0,1,0,0,0,0|0,0,2]=3 1412 B12R0.363 CC=CCOC(CC)C(=O)OCC 7a_100011216719_100000070051 [0,1,0,0,0,0|0,0,2]=3 1413 B12R0.363 CC=CCSC(CC)C(=O)OCC 62a_100000070051_100000212269 [0,1,0,0,0,0|0,0,2]=3 1414 B12R0.363 CC=CCSC(CC)C(=O)OCC 62a_100000212269_100000070051 [0,1,0,0,0,0|0,0,2]=3 1415 B12R0.363 CC=CCSC(SC)C(=O)OCC 62a_100000070051_100009893047 [0,1,0,0,0,0|1,0,2]=4 1416 B12R0.363 CC=CCSC(SC)C(=O)OCC 62a_100009893047_100000070051 [0,1,0,0,0,0|1,0,2]=4 1417 B12R0.363 CCCC(=O)N(CC)CCCCO 240690a_100011217355_100000211992 [0,1,0,0,0,0|2,0,0]=3 1418 B12R0.363 CCCCCC(CC)C(=O)CC#N 1458a_100000697129_100011214920 [0,1,0,0,0,0|2,0,1]=4 1419 B12R0.363 CCCCCC(CC)C(=O)CCC 1458a_100000697129_100000210303 [0,1,0,0,0,0|1,0,0]=2 1420 B12R0.363 CCCCCC(CC)C(=O)CCF 1458a_100000697129_100011217306 [0,1,0,0,0,0|2,0,0]=3 1421 B12R0.363 CCCCCC(CC)C(=O)CCO 1458a_100000697129_100000211926 [0,1,0,0,0,0|2,0,0]=3 1422 B12R0.363 CCCCCC(CC)C(=O)NCC 11a_100015525214_100000697129 [0,1,0,0,0,0|1,0,0]=2 1423 B12R0.363 CCCCCC(CC)C(=O)NCC 240690a_100015525214_100000697129 [0,1,0,0,0,0|1,0,0]=2 1424 B12R0.363 CCCCCC(CC)C(=O)NCC 527a_100015525214_100000697129 [0,1,0,0,0,0|1,0,0]=2 1425 B12R0.363 CCCCCC(CC)C(=O)NNC 22a_100016993582_100000697129 [0,1,0,0,0,0|2,0,0]=3 1426 B12R0.363 CCCCCC(CC)N(C)CCC 270004a_100000747261_100011215316 [0,1,0,0,0,0|3,0,0]=4 1427 B12R0.363 CCCCCC(NC)C(=O)OCC 2230a_106832991635_200009813352 [0,1,0,0,0,0|1,0,0]=2 1428 B12R0.363 CCCCCC(NC)C(=O)OCC 34a_100102657272_200009813352 [0,1,0,0,0,0|1,0,0]=2 1429 B12R0.363 CCCCCC(NC)C(=O)OCC 7a_106832991635_200009813352 [0,1,0,0,0,0|1,0,0]=2 1430 B12R0.363 CCCCCC(OC)C(=O)OCC 34a_100138415774_200009813352 [0,1,0,0,0,0|1,0,0]=2 1431 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200000210301_200009813352 [0,1,0,0,0,0|1,0,0]=2 1432 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200009813352_200000210301 [0,1,0,0,0,0|1,0,0]=2 1433 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200009813352_200025704644 [0,1,0,0,0,0|1,0,0]=2 1434 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813352 [0,1,0,0,0,0|1,0,0]=2 1435 B12R0.363 CCCCNC(CC)C(=O)OCC 2230a_100000102301_100000212269 [0,1,0,0,0,0|0,0,0]=1 1436 B12R0.363 CCCCNC(CC)C(=O)OCC 7a_106832991798_100000212269 [0,1,0,0,0,0|0,0,0]=1 1437 B12R0.363 CCCCOC(CC)C(=O)OCC 34a_100000210227_100000212269 [0,1,0,0,0,0|0,0,0]=1 1438 B12R0.363 CCCCOC(CC)C(=O)OCC 34a_100011216719_100000210210 [0,1,0,0,0,0|0,0,0]=1 1439 B12R0.363 CCCCOC(CC)C(=O)OCC 7a_100000210227_100000212269 [0,1,0,0,0,0|0,0,0]=1 1440 B12R0.363 CCCCOC(CC)C(=O)OCC 7a_100011216719_100000210211 [0,1,0,0,0,0|0,0,0]=1 1441 B12R0.363 CCCCOC(CC)C(C)CCC 34a_200011218412_100000210210 [0,1,0,0,0,0|2,0,1]=4 1442 B12R0.363 CCCCOC(CC)C(C)CCC 7a_200011218412_100000210211 [0,1,0,0,0,0|2,0,1]=4 1443 B12R0.363 CCCCOC(SC)C(=O)OCC 34a_100000210227_100009893047 [0,1,0,0,0,0|1,0,0]=2 1444 B12R0.363 CCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210210 [0,1,0,0,0,0|1,0,1]=3 1445 B12R0.363 CCCCSC(C=O)C(=O)OCC 62a_100000210211_100000053139 [0,1,0,0,0,0|1,0,1]=3 1446 B12R0.363 CCCCSC(CC)C(=O)OCC 62a_100000210211_100000212269 [0,1,0,0,0,0|0,0,0]=1 1447 B12R0.363 CCCCSC(CC)C(=O)OCC 62a_100000212269_100000210210 [0,1,0,0,0,0|0,0,0]=1 1448 B12R0.363 CCCCSC(SC)C(=O)OCC 62a_100000210211_100009893047 [0,1,0,0,0,0|1,0,0]=2 1449 B12R0.363 CCCCSC(SC)C(=O)OCC 62a_100009893047_100000210210 [0,1,0,0,0,0|1,0,0]=2 1450 B12R0.363 CCCNN=C(CC)C(=O)OCC 4a_100000740057_100000211510 [0,1,0,0,0,0|1,0,1]=3 1451 B12R0.363 CCN(CCCCO)C(=O)CCO 240690a_100011217355_100011216618 [0,1,0,0,0,0|3,0,0]=4 1452 B12R0.363 CCN(CCCCO)C(=O)COC 240690a_100011217355_100000210968 [0,1,0,0,0,0|3,0,0]=4 1453 B12R0.363 CCN(CCCCO)C(=O)CSC 240690a_100011217355_100000184570 [0,1,0,0,0,0|3,0,0]=4 1454 B12R0.363 CCNC(=O)N(CC)CCCCO 2708a_100015525214_100011217355 [0,1,0,0,0,0|2,0,0]=3 1455 B12R0.363 CCNC(=O)N(CC)CCCCO 273464a_100015525214_100011217355 [0,1,0,0,0,0|2,0,0]=3 1456 B12R0.363 CCOC(=O)C(=NNCCO)CC 4a_100000210001_100000211510 [0,1,0,0,0,0|2,0,1]=4 1457 B12R0.363 CCOC(=O)C(C=O)SCCCF 62a_100000053139_100011934791 [0,1,0,0,0,0|2,0,1]=4 1458 B12R0.363 CCOC(=O)C(C=O)SCCCF 62a_100011934791_100000053139 [0,1,0,0,0,0|2,0,1]=4 1459 B12R0.363 CCOC(=O)C(C=O)SCCCO 62a_100000053139_100011215043 [0,1,0,0,0,0|2,0,1]=4 1460 B12R0.363 CCOC(=O)C(C=O)SCCCO 62a_100011215043_100000053139 [0,1,0,0,0,0|2,0,1]=4 1461 B12R0.363 CCOC(=O)C(C=O)SCCOC 62a_100000053139_100000233755 [0,1,0,0,0,0|2,0,1]=4 1462 B12R0.363 CCOC(=O)C(C=O)SCCOC 62a_100000233755_100000053139 [0,1,0,0,0,0|2,0,1]=4 1463 B12R0.363 CCOC(=O)C(C=O)SCCSC 62a_100000053139_100000751147 [0,1,0,0,0,0|2,0,1]=4 1464 B12R0.363 CCOC(=O)C(C=O)SCCSC 62a_100000212216_100000053139 [0,1,0,0,0,0|2,0,1]=4 1465 B12R0.363 CCOC(=O)C(CC)NCCCF 2230a_100015189416_100000212269 [0,1,0,0,0,0|1,0,0]=2 1466 B12R0.363 CCOC(=O)C(CC)NCCCF 34a_100015189416_100000212269 [0,1,0,0,0,0|1,0,0]=2 1467 B12R0.363 CCOC(=O)C(CC)NCCOC 2230a_100000209980_100000212269 [0,1,0,0,0,0|1,0,0]=2 1468 B12R0.363 CCOC(=O)C(CC)NCCSC 2230a_100020590264_100000212269 [0,1,0,0,0,0|1,0,0]=2 1469 B12R0.363 CCOC(=O)C(CC)OCCC#N 7a_100011216719_100000184422 [0,1,0,0,0,0|1,0,1]=3 1470 B12R0.363 CCOC(=O)C(CC)OCCCBr 34a_100011217188_100000212269 [0,1,0,0,0,0|1,0,0]=2 1471 B12R0.363 CCOC(=O)C(CC)OCCCCl 34a_100000230001_100000212269 [0,1,0,0,0,0|1,0,0]=2 1472 B12R0.363 CCOC(=O)C(CC)OCCCF 34a_100000759539_100000212269 [0,1,0,0,0,0|1,0,0]=2 1473 B12R0.363 CCOC(=O)C(CC)OCCCF 34a_100011216719_100011934791 [0,1,0,0,0,0|1,0,0]=2 1474 B12R0.363 CCOC(=O)C(CC)OCCCF 7a_100011216719_100011934791 [0,1,0,0,0,0|1,0,0]=2 1475 B12R0.363 CCOC(=O)C(CC)OCCCN 34a_100000182051_100000212269 [0,1,0,0,0,0|1,0,0]=2 1476 B12R0.363 CCOC(=O)C(CC)OCCCO 34a_100011216719_100000230001 [0,1,0,0,0,0|1,0,0]=2 1477 B12R0.363 CCOC(=O)C(CC)OCCCO 7a_100011216719_100011215043 [0,1,0,0,0,0|1,0,0]=2 1478 B12R0.363 CCOC(=O)C(CC)OCCOC 34a_100000210237_100000212269 [0,1,0,0,0,0|1,0,0]=2 1479 B12R0.363 CCOC(=O)C(CC)OCCOC 34a_100011216719_100011201679 [0,1,0,0,0,0|1,0,0]=2 1480 B12R0.363 CCOC(=O)C(CC)OCCOC 7a_100011216719_100000233755 [0,1,0,0,0,0|1,0,0]=2 1481 B12R0.363 CCOC(=O)C(CC)OCCON 34a_100000700252_100000212269 [0,1,0,0,0,0|2,0,0]=3 1482 B12R0.363 CCOC(=O)C(CC)OCCSC 34a_100000230434_100000212269 [0,1,0,0,0,0|1,0,0]=2 1483 B12R0.363 CCOC(=O)C(CC)OCCSC 34a_100011216719_100000212216 [0,1,0,0,0,0|1,0,0]=2 1484 B12R0.363 CCOC(=O)C(CC)OCCSC 7a_100000230434_100000212269 [0,1,0,0,0,0|1,0,0]=2 1485 B12R0.363 CCOC(=O)C(CC)OCCSC 7a_100011216719_100000212216 [0,1,0,0,0,0|1,0,0]=2 1486 B12R0.363 CCOC(=O)C(CC)SCCC#N 62a_100000212269_100011215226 [0,1,0,0,0,0|1,0,1]=3 1487 B12R0.363 CCOC(=O)C(CC)SCCC#N 62a_100011215226_100000212269 [0,1,0,0,0,0|1,0,1]=3 1488 B12R0.363 CCOC(=O)C(CC)SCCCF 62a_100000212269_100011934791 [0,1,0,0,0,0|1,0,0]=2 1489 B12R0.363 CCOC(=O)C(CC)SCCCF 62a_100011934791_100000212269 [0,1,0,0,0,0|1,0,0]=2 1490 B12R0.363 CCOC(=O)C(CC)SCCCO 62a_100000212269_100011215043 [0,1,0,0,0,0|1,0,0]=2 1491 B12R0.363 CCOC(=O)C(CC)SCCCO 62a_100011215043_100000212269 [0,1,0,0,0,0|1,0,0]=2 1492 B12R0.363 CCOC(=O)C(CC)SCCOC 62a_100000212269_100000233755 [0,1,0,0,0,0|1,0,0]=2 1493 B12R0.363 CCOC(=O)C(CC)SCCOC 62a_100000233755_100000212269 [0,1,0,0,0,0|1,0,0]=2 1494 B12R0.363 CCOC(=O)C(CC)SCCSC 62a_100000212216_100000212269 [0,1,0,0,0,0|1,0,0]=2 1495 B12R0.363 CCOC(=O)C(CC)SCCSC 62a_100000212269_100000751147 [0,1,0,0,0,0|1,0,0]=2 1496 B12R0.363 CCOC(=O)C(CC)SCSC#N 62a_100000211825_100000212269 [0,1,0,0,0,0|2,0,1]=4 1497 B12R0.363 CCOC(=O)C(CC)SCSC#N 62a_100000212269_100000211825 [0,1,0,0,0,0|2,0,1]=4 1498 B12R0.363 CCOC(=O)C(NCCCF)SC 34a_100015189416_100009893047 [0,1,0,0,0,0|2,0,0]=3 1499 B12R0.363 CCOC(=O)C(OCCCBr)SC 34a_100011217188_100009893047 [0,1,0,0,0,0|2,0,0]=3 1500 B12R0.363 CCOC(=O)C(OCCCCl)SC 34a_100000230001_100009893047 [0,1,0,0,0,0|2,0,0]=3 1501 B12R0.363 CCOC(=O)C(OCCCF)SC 34a_100000759539_100009893047 [0,1,0,0,0,0|2,0,0]=3 1502 B12R0.363 CCOC(=O)C(OCCCN)SC 34a_100000182051_100009893047 [0,1,0,0,0,0|2,0,0]=3 1503 B12R0.363 CCOC(=O)C(OCCOC)SC 34a_100000210237_100009893047 [0,1,0,0,0,0|2,0,0]=3 1504 B12R0.363 CCOC(=O)C(OCCON)SC 34a_100000700252_100009893047 [0,1,0,0,0,0|3,0,0]=4 1505 B12R0.363 CCOC(=O)C(OCCSC)SC 34a_100000230434_100009893047 [0,1,0,0,0,0|2,0,0]=3 1506 B12R0.363 CCOC(=O)C(SC)SCCC#N 62a_100009893047_100011215226 [0,1,0,0,0,0|2,0,1]=4 1507 B12R0.363 CCOC(=O)C(SC)SCCC#N 62a_100011215226_100009893047 [0,1,0,0,0,0|2,0,1]=4 1508 B12R0.363 CCOC(=O)C(SC)SCCCF 62a_100009893047_100011934791 [0,1,0,0,0,0|2,0,0]=3 1509 B12R0.363 CCOC(=O)C(SC)SCCCF 62a_100011934791_100009893047 [0,1,0,0,0,0|2,0,0]=3 1510 B12R0.363 CCOC(=O)C(SC)SCCCO 62a_100009893047_100011215043 [0,1,0,0,0,0|2,0,0]=3 1511 B12R0.363 CCOC(=O)C(SC)SCCCO 62a_100011215043_100009893047 [0,1,0,0,0,0|2,0,0]=3 1512 B12R0.363 CCOC(=O)C(SC)SCCOC 62a_100000233755_100009893047 [0,1,0,0,0,0|2,0,0]=3 1513 B12R0.363 CCOC(=O)C(SC)SCCOC 62a_100009893047_100000233755 [0,1,0,0,0,0|2,0,0]=3 1514 B12R0.363 CCOC(=O)C(SC)SCCSC 62a_100000212216_100009893047 [0,1,0,0,0,0|2,0,0]=3 1515 B12R0.363 CCOC(=O)C(SC)SCCSC 62a_100009893047_100000751147 [0,1,0,0,0,0|2,0,0]=3 1516 B12R0.363 CCOCSC(C=O)C(=O)OCC 62a_100000053139_100000739092 [0,1,0,0,0,0|2,0,1]=4 1517 B12R0.363 CCOCSC(C=O)C(=O)OCC 62a_100000739092_100000053139 [0,1,0,0,0,0|2,0,1]=4 1518 B12R0.363 CCOCSC(CC)C(=O)OCC 62a_100000212269_100000739092 [0,1,0,0,0,0|1,0,0]=2 1519 B12R0.363 CCOCSC(CC)C(=O)OCC 62a_100000739092_100000212269 [0,1,0,0,0,0|1,0,0]=2 1520 B12R0.363 CCOCSC(SC)C(=O)OCC 62a_100000739092_100009893047 [0,1,0,0,0,0|2,0,0]=3 1521 B12R0.363 CCOCSC(SC)C(=O)OCC 62a_100009893047_100000739092 [0,1,0,0,0,0|2,0,0]=3 1522 B12R0.749 CCCCN(CC)S(=O)(=O)CCC 270084a_100000207695_100000211391 [0,1,0,0,0,0|3,0,0]=4 1523 B12R0.749 CCCCN(CC)S(=O)(=O)CCC 274078a_100000207695_100000211391 [0,1,0,0,0,0|3,0,0]=4 1524 B12R0.749 CCCCN(CC)S(=O)(=O)CCC 40a_100000207695_100000054278 [0,1,0,0,0,0|3,0,0]=4 1525 B12R1.16 C#CCC(=O)C1CCC(CC1)C 1458a_100011220946_200011216234 [0,0,0,1,0,0|1,0,2]=4 1526 B12R1.16 C#CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000184674 [0,0,0,1,0,0|1,0,2]=4 1527 B12R1.16 C=C1CCC(CC1)C(=O)CCC 1458a_200000138047_100000210303 [0,0,0,1,0,0|1,0,2]=4 1528 B12R1.16 C=C1CCC(CC1)C(=O)NCC 11a_100015525214_200000138047 [0,0,0,1,0,0|1,0,2]=4 1529 B12R1.16 C=C1CCC(CC1)C(=O)NCC 240690a_100015525214_200000138047 [0,0,0,1,0,0|1,0,2]=4 1530 B12R1.16 C=C1CCC(CC1)C(=O)NCC 527a_100015525214_200000138047 [0,0,0,1,0,0|1,0,2]=4 1531 B12R1.16 C=CCC(=O)C1CCC(CC1)C 1458a_100000210193_200011216234 [0,0,0,1,0,0|1,0,2]=4 1532 B12R1.16 C=CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210623 [0,0,0,1,0,0|1,0,2]=4 1533 B12R1.16 CC#CC(=O)C1CCC(CC1)C 1458a_100000763181_200011216234 [0,0,0,1,0,0|1,0,1]=3 1534 B12R1.16 CC1CCC(CC1)C(=O)C=CBr 1458a_100016273825_200011216234 [0,0,0,1,0,0|2,0,1]=4 1535 B12R1.16 CC1CCC(CC1)C(=O)C=CCl 1458a_200016279998_200011216234 [0,0,0,1,0,0|2,0,1]=4 1536 B12R1.16 CC1CCC(CC1)C(=O)C=CI 1458a_100016256311_200011216234 [0,0,0,1,0,0|2,0,1]=4 1537 B12R1.16 CC1CCC(CC1)C(=O)CC#N 1458a_100051588842_200011216234 [0,0,0,1,0,0|2,0,1]=4 1538 B12R1.16 CC1CCC(CC1)C(=O)CCO 1458a_100011216618_200011216234 [0,0,0,1,0,0|2,0,0]=3 1539 B12R1.16 CC1CCN(CC1)C(=O)CCO 240690a_100000188429_100011216618 [0,0,0,1,0,0|3,0,0]=4 1540 B12R1.16 CC1CCN(CC1)C(=O)CS[13CH3] 62a_100000182867_200025704644 [0,0,0,1,0,0|3,0,0]=4 1541 B12R1.16 CC1CCN(CC1)C(=O)CS[13CH3] 62a_200025704644_100000182867 [0,0,0,1,0,0|3,0,0]=4 1542 B12R1.16 CC=CC(=O)C1CCC(CC1)C 1458a_100000210699_200011216234 [0,0,0,1,0,0|1,0,1]=3 1543 B12R1.16 CC=CC(=O)N1CCC(CC1)C 240690a_100000188429_100000210699 [0,0,0,1,0,0|2,0,1]=4 1544 B12R1.16 CCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210303 [0,0,0,1,0,0|1,0,2]=4 1545 B12R1.16 CCCC(=O)C1CCC(CC1)C 1458a_100000211992_200011216234 [0,0,0,1,0,0|1,0,0]=2 1546 B12R1.16 CCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210303 [0,0,0,1,0,0|2,0,0]=3 1547 B12R1.16 CCCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210303 [0,0,0,1,0,0|2,0,0]=3 1548 B12R1.16 CCCC(=O)N1CCC(CC1)C 240690a_100000188429_100000211992 [0,0,0,1,0,0|2,0,0]=3 1549 B12R1.16 CCCC(=O)N1CCC(CC1)C 527a_100000188429_100000211992 [0,0,0,1,0,0|2,0,0]=3 1550 B12R1.16 CCCC(=O)N1CCC(CC1)F 11a_100015193889_100000211992 [0,0,0,1,0,0|3,0,0]=4 1551 B12R1.16 CCCC(=O)N1CCC(CC1)F 1626a_100015193889_100000211992 [0,0,0,1,0,0|3,0,0]=4 1552 B12R1.16 CCCC(=O)N1CCC(CC1)F 240690a_100015193889_100000211992 [0,0,0,1,0,0|3,0,0]=4 1553 B12R1.16 CCCC(=O)N1CCC(CC1)F 527a_100015193889_100000211992 [0,0,0,1,0,0|3,0,0]=4 1554 B12R1.16 CCCC(=O)N1CCC(CC1)O 240690a_100025773856_100000211992 [0,0,0,1,0,0|3,0,0]=4 1555 B12R1.16 CCCC(=O)N1CCC(CC1)O 527a_100025773856_100000211992 [0,0,0,1,0,0|3,0,0]=4 1556 B12R1.16 CCCC(=O)N1CCN(CC1)C 11a_100000188432_100000211992 [0,0,0,1,0,0|3,0,0]=4 1557 B12R1.16 CCCC(=O)N1CCN(CC1)C 2230a_102495365011_200000210301 [0,0,0,1,0,0|3,0,0]=4 1558 B12R1.16 CCCC(=O)N1CCN(CC1)C 240690a_100000188432_100000211992 [0,0,0,1,0,0|3,0,0]=4 1559 B12R1.16 CCCC(=O)N1CCN(CC1)C 269982a_102495365011_200000210301 [0,0,0,1,0,0|3,0,0]=4 1560 B12R1.16 CCCC(=O)N1CCN(CC1)C 527a_100000188432_100000211992 [0,0,0,1,0,0|3,0,0]=4 1561 B12R1.16 CCCC(=O)N1CCN(CC1)[13CH3] 2230a_102495365011_200025704644 [0,0,0,1,0,0|3,0,0]=4 1562 B12R1.16 CCCC(=O)N1CCN(CC1)[13CH3] 269982a_102495365011_200025704644 [0,0,0,1,0,0|3,0,0]=4 1563 B12R1.16 CCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210303 [0,0,0,1,0,0|1,0,0]=2 1564 B12R1.16 CCCN(C)C1CCC(CC1)C 269982a_100000747261_200011216234 [0,0,0,1,0,0|3,0,0]=4 1565 B12R1.16 CCCN(C)C1CCC(CC1)C 270004a_100000747261_100000185489 [0,0,0,1,0,0|3,0,0]=4 1566 B12R1.16 CCNC(=O)C1CC=C(CC1)C 11a_100015525214_100000137427 [0,0,0,1,0,0|1,0,2]=4 1567 B12R1.16 CCNC(=O)C1CC=C(CC1)C 240690a_100015525214_100000137427 [0,0,0,1,0,0|1,0,2]=4 1568 B12R1.16 CCNC(=O)C1CC=C(CC1)C 527a_100015525214_100000137427 [0,0,0,1,0,0|1,0,2]=4 1569 B12R1.16 CCNC(=O)C1CCC(CC1)O 240690a_100015525214_100000743365 [0,0,0,1,0,0|2,0,0]=3 1570 B12R1.16 CCNC(=O)C1CCC(CC1)O 527a_100015525214_100000743365 [0,0,0,1,0,0|2,0,0]=3 1571 B12R1.16 CCNC(=O)C1CCN(CC1)C 240690a_100015525214_100000743488 [0,0,0,1,0,0|2,0,0]=3 1572 B12R1.16 CCNC(=O)C1CCN(CC1)C 527a_100015525214_100000743488 [0,0,0,1,0,0|2,0,0]=3 1573 B12R1.16 CCNC(=O)N1CCC(CC1)C 2708a_100015525214_100000188429 [0,0,0,1,0,0|2,0,0]=3 1574 B12R1.16 CCNC(=O)N1CCC(CC1)C 273464a_100015525214_100000188429 [0,0,0,1,0,0|2,0,0]=3 1575 B12R1.16 CCNC(=O)N1CCC(CC1)F 2708a_100015525214_100015193889 [0,0,0,1,0,0|3,0,0]=4 1576 B12R1.16 CCNC(=O)N1CCC(CC1)F 273464a_100015525214_100015193889 [0,0,0,1,0,0|3,0,0]=4 1577 B12R1.16 CCNC(=O)N1CCC(CC1)O 2708a_100015525214_100025773856 [0,0,0,1,0,0|3,0,0]=4 1578 B12R1.16 CCNC(=O)N1CCC(CC1)O 273464a_100015525214_100025773856 [0,0,0,1,0,0|3,0,0]=4 1579 B12R1.16 CCNC(=O)N1CCN(CC1)C 2708a_100015525214_100000188432 [0,0,0,1,0,0|3,0,0]=4 1580 B12R1.16 CCNC(=O)N1CCN(CC1)C 273464a_100015525214_100000188432 [0,0,0,1,0,0|3,0,0]=4 1581 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 11a_100015525214_100009815934 [0,0,0,1,0,0|1,0,0]=2 1582 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100015525214_100009815934 [0,0,0,1,0,0|1,0,0]=2 1583 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100015525214_100009815934 [0,0,0,1,0,0|1,0,0]=2 1584 B12R1.16 CCOC(=O)C1CCN(CC1)C 2230a_100000210402_200000210301 [0,0,0,1,0,0|1,0,0]=2 1585 B12R1.16 CCOC(=O)C1CCN(CC1)C 269982a_100000210402_200000210301 [0,0,0,1,0,0|1,0,0]=2 1586 B12R1.16 CCOC(=O)C1CCN(CC1)[13CH3] 2230a_100000210402_200025704644 [0,0,0,1,0,0|1,0,0]=2 1587 B12R1.16 CCOC(=O)C1CCN(CC1)[13CH3] 269982a_100000210402_200025704644 [0,0,0,1,0,0|1,0,0]=2 1588 B12R1.16 CCOC(=O)N1CCN(CC1)C 2230a_100000210854_200000210301 [0,0,0,1,0,0|2,0,0]=3 1589 B12R1.16 CCOC(=O)N1CCN(CC1)C 269982a_100000210854_200000210301 [0,0,0,1,0,0|2,0,0]=3 1590 B12R1.16 CCOC(=O)N1CCN(CC1)[13CH3] 2230a_100000210854_200025704644 [0,0,0,1,0,0|2,0,0]=3 1591 B12R1.16 CCOC(=O)N1CCN(CC1)[13CH3] 269982a_100000210854_200025704644 [0,0,0,1,0,0|2,0,0]=3 1592 B12R1.16 CN1CCC(CC1)C(=O)CCF 1458a_100000743488_100011217306 [0,0,0,1,0,0|3,0,0]=4 1593 B12R1.16 CN1CCC(CC1)C(=O)CCO 1458a_100000743488_100000211926 [0,0,0,1,0,0|3,0,0]=4 1594 B12R1.16 CNCC(=O)N1CCC(CC1)C 2230a_106832991635_100000182867 [0,0,0,1,0,0|3,0,0]=4 1595 B12R1.16 CNCC(=O)N1CCC(CC1)C 34a_100102657272_100000182867 [0,0,0,1,0,0|3,0,0]=4 1596 B12R1.16 CNCC(=O)N1CCC(CC1)C 7a_106832991635_100000182867 [0,0,0,1,0,0|3,0,0]=4 1597 B12R1.16 CNNC(=O)C1CCC(CC1)O 22a_100016993582_100000743365 [0,0,0,1,0,0|3,0,0]=4 1598 B12R1.16 CNNC(=O)C1CCN(CC1)C 22a_100016993582_100000743488 [0,0,0,1,0,0|3,0,0]=4 1599 B12R1.16 CNNC(=O)[C@H]1CC[C@@H](CC1)C 22a_100016993582_100009815934 [0,0,0,1,0,0|2,0,0]=3 1600 B12R1.16 COCC(=O)C1CCC(CC1)C 1458a_100000210968_200011216234 [0,0,0,1,0,0|2,0,0]=3 1601 B12R1.16 COCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210968 [0,0,0,1,0,0|3,0,0]=4 1602 B12R1.16 COCC(=O)N1CCC(CC1)C 34a_100138415774_100000182867 [0,0,0,1,0,0|3,0,0]=4 1603 B12R1.16 COCC(=O)N1CCC(CC1)C 527a_100000188429_100000210968 [0,0,0,1,0,0|3,0,0]=4 1604 B12R1.16 CSCC(=O)C1CCC(CC1)C 1458a_100000184570_200011216234 [0,0,0,1,0,0|2,0,0]=3 1605 B12R1.16 CSCC(=O)N1CCC(CC1)C 240690a_100000188429_100000184570 [0,0,0,1,0,0|3,0,0]=4 1606 B12R1.16 CSCC(=O)N1CCC(CC1)C 527a_100000188429_100000184570 [0,0,0,1,0,0|3,0,0]=4 1607 B12R1.16 CSCC(=O)N1CCC(CC1)C 62a_100000182867_200000210301 [0,0,0,1,0,0|3,0,0]=4 1608 B12R1.16 CSCC(=O)N1CCC(CC1)C 62a_200000210301_100000182867 [0,0,0,1,0,0|3,0,0]=4 1609 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CC#N 1458a_100009815934_100011214920 [0,0,0,1,0,0|2,0,1]=4 1610 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCF 1458a_100009815934_100011217306 [0,0,0,1,0,0|2,0,0]=3 1611 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCO 1458a_100009815934_100000211926 [0,0,0,1,0,0|2,0,0]=3 1612 B12R1.16 O=C(CCF)C1CCC(CC1)O 1458a_100000743365_100011217306 [0,0,0,1,0,0|3,0,0]=4 1613 B12R1.16 O=C(CCO)C1CCC(CC1)O 1458a_100000743365_100000211926 [0,0,0,1,0,0|3,0,0]=4 1614 B12R1.18 CCCNC1CCCCNC1=O 2230a_100000698827_100000210303 [0,0,0,1,0,0|2,0,0]=3 1615 B12R1.18 CCCNC1CCCCNC1=O 34a_100000698827_100000210303 [0,0,0,1,0,0|2,0,0]=3 1616 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,0,0,1,0,0|2,0,0]=3 1617 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,0,0,1,0,0|2,0,0]=3 1618 B12R1.18 CCCSC1CCCCNC1=O 62a_100000210303_100000735217 [0,0,0,1,0,0|2,0,0]=3 1619 B12R1.18 CCCSC1CCCCNC1=O 62a_100000735217_100000210303 [0,0,0,1,0,0|2,0,0]=3 1620 B12R1.18 COCNC1CCCCNC1=O 2230a_100000698827_100000766300 [0,0,0,1,0,0|3,0,0]=4 1621 B12R1.18 COCSC1CCCCCC1=O 62a_100000243696_100000766300 [0,0,0,1,0,0|3,0,0]=4 1622 B12R1.18 COCSC1CCCCCC1=O 62a_100000766300_100000243696 [0,0,0,1,0,0|3,0,0]=4 1623 B12R1.18 COCSC1CCCCNC1=O 62a_100000735217_100000766300 [0,0,0,1,0,0|3,0,0]=4 1624 B12R1.18 COCSC1CCCCNC1=O 62a_100000766300_100000735217 [0,0,0,1,0,0|3,0,0]=4 1625 B12R1.18 CSCNC1CCCCNC1=O 2230a_100000698827_100011218213 [0,0,0,1,0,0|3,0,0]=4 1626 B12R1.18 CSCNC1CCCCNC1=O 34a_100000698827_100011218213 [0,0,0,1,0,0|3,0,0]=4 1627 B12R1.18 CSCSC1CCCCCC1=O 62a_100000243696_100011218213 [0,0,0,1,0,0|3,0,0]=4 1628 B12R1.18 CSCSC1CCCCCC1=O 62a_100011218213_100000243696 [0,0,0,1,0,0|3,0,0]=4 1629 B12R1.18 CSCSC1CCCCNC1=O 62a_100000735217_100011218213 [0,0,0,1,0,0|3,0,0]=4 1630 B12R1.18 CSCSC1CCCCNC1=O 62a_100011218213_100000735217 [0,0,0,1,0,0|3,0,0]=4 1631 B12R1.18 O=C1CCCCCC1SCCF 62a_100000243696_100011217306 [0,0,0,1,0,0|3,0,0]=4 1632 B12R1.18 O=C1CCCCCC1SCCF 62a_100011217306_100000243696 [0,0,0,1,0,0|3,0,0]=4 1633 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [0,0,0,1,0,0|3,0,0]=4 1634 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [0,0,0,1,0,0|3,0,0]=4 1635 B12R1.18 O=C1NCCCCC1NCCF 2230a_100000698827_100011217306 [0,0,0,1,0,0|3,0,0]=4 1636 B12R1.18 O=C1NCCCCC1NCCF 34a_100000698827_100011217306 [0,0,0,1,0,0|3,0,0]=4 1637 B12R1.18 O=C1NCCCCC1NCCO 2230a_100000698827_100000211926 [0,0,0,1,0,0|3,0,0]=4 1638 B12R1.18 O=C1NCCCCC1NCCO 2230a_100016997473_100000735217 [0,0,0,1,0,0|3,0,0]=4 1639 B12R1.18 O=C1NCCCCC1NCCO 34a_100000698827_100000211926 [0,0,0,1,0,0|3,0,0]=4 1640 B12R1.18 O=C1NCCCCC1SCCF 62a_100000735217_100011217306 [0,0,0,1,0,0|3,0,0]=4 1641 B12R1.18 O=C1NCCCCC1SCCF 62a_100011217306_100000735217 [0,0,0,1,0,0|3,0,0]=4 1642 B12R1.18 O=C1NCCCCC1SCCO 62a_100000211926_100000735217 [0,0,0,1,0,0|3,0,0]=4 1643 B12R1.18 O=C1NCCCCC1SCCO 62a_100000735217_100000211926 [0,0,0,1,0,0|3,0,0]=4 1644 B12R1.36 CCCCC(CC)N1CCCC1 269982a_100000188435_200011216223 [0,0,0,1,0,0|3,0,0]=4 1645 B12R1.36 CCCCC(CC)N1CCCC1 270004a_100000188435_100000753412 [0,0,0,1,0,0|3,0,0]=4 1646 B12R1.308 C#CCC(=O)C1CCCCC1C 1458a_100011215568_100000184674 [0,0,0,1,0,0|1,0,2]=4 1647 B12R1.308 C=CCC(=O)C1CCCCC1C 1458a_100011215568_100000210623 [0,0,0,1,0,0|1,0,2]=4 1648 B12R1.308 CC1CCCCC1C(=O)CC#N 1458a_100011215568_100011214920 [0,0,0,1,0,0|2,0,1]=4 1649 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [0,0,0,1,0,0|2,0,0]=3 1650 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [0,0,0,1,0,0|2,0,0]=3 1651 B12R1.308 CC1CCCCN1C(=O)CCO 240690a_100000211376_100011216618 [0,0,0,1,0,0|3,0,0]=4 1652 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_100000182743_200025704644 [0,0,0,1,0,0|3,0,0]=4 1653 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000182743 [0,0,0,1,0,0|3,0,0]=4 1654 B12R1.308 CC=CC(=O)N1CCCCC1C 11a_100000211376_100000210699 [0,0,0,1,0,0|2,0,1]=4 1655 B12R1.308 CC=CC(=O)N1CCCCC1C 1626a_100000211376_100000210699 [0,0,0,1,0,0|2,0,1]=4 1656 B12R1.308 CC=CC(=O)N1CCCCC1C 240690a_100000211376_100000210699 [0,0,0,1,0,0|2,0,1]=4 1657 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [0,0,0,1,0,0|2,0,1]=4 1658 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,0,0,1,0,0|1,0,0]=2 1659 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [0,0,0,1,0,0|2,0,0]=3 1660 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [0,0,0,1,0,0|2,0,0]=3 1661 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [0,0,0,1,0,0|2,0,0]=3 1662 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [0,0,0,1,0,0|2,0,0]=3 1663 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [0,0,0,1,0,0|2,0,0]=3 1664 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000211992 [0,0,0,1,0,0|3,0,0]=4 1665 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000211992 [0,0,0,1,0,0|3,0,0]=4 1666 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000211992 [0,0,0,1,0,0|3,0,0]=4 1667 B12R1.308 CCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210303 [0,0,0,1,0,0|2,0,0]=3 1668 B12R1.308 CCCN(C)C1CCCCC1C 270004a_100000747261_100000210921 [0,0,0,1,0,0|3,0,0]=4 1669 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,0,0,1,0,0|1,0,0]=2 1670 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,0,0,1,0,0|1,0,0]=2 1671 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,0,0,1,0,0|1,0,0]=2 1672 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [0,0,0,1,0,0|2,0,0]=3 1673 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [0,0,0,1,0,0|2,0,0]=3 1674 B12R1.308 CCNC(=O)N1CCOC[C@@H]1C 2708a_100015525214_100009815349 [0,0,0,1,0,0|3,0,0]=4 1675 B12R1.308 CCNC(=O)N1CCOC[C@@H]1C 273464a_100015525214_100009815349 [0,0,0,1,0,0|3,0,0]=4 1676 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 11a_100015525214_100000767060 [0,0,0,1,0,0|2,0,0]=3 1677 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 240690a_100015525214_100000767060 [0,0,0,1,0,0|2,0,0]=3 1678 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 527a_100015525214_100000767060 [0,0,0,1,0,0|2,0,0]=3 1679 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [0,0,0,1,0,0|1,0,0]=2 1680 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [0,0,0,1,0,0|1,0,0]=2 1681 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [0,0,0,1,0,0|1,0,0]=2 1682 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [0,0,0,1,0,0|1,0,0]=2 1683 B12R1.308 CCOC(=O)C1CSCCN1C 2230a_100000735462_200000210301 [0,0,0,1,0,0|2,0,0]=3 1684 B12R1.308 CCOC(=O)C1CSCCN1C 269982a_100000735462_200000210301 [0,0,0,1,0,0|2,0,0]=3 1685 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 2230a_100000735462_200025704644 [0,0,0,1,0,0|2,0,0]=3 1686 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 269982a_100000735462_200025704644 [0,0,0,1,0,0|2,0,0]=3 1687 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 2230a_100015229691_200000210301 [0,0,0,1,0,0|2,0,0]=3 1688 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 269982a_100015229691_200000210301 [0,0,0,1,0,0|2,0,0]=3 1689 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 2230a_100015229691_200025704644 [0,0,0,1,0,0|2,0,0]=3 1690 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 269982a_100015229691_200025704644 [0,0,0,1,0,0|2,0,0]=3 1691 B12R1.308 CN1CCCC[C@@H]1C(=O)CCF 1458a_100000767060_100011217306 [0,0,0,1,0,0|3,0,0]=4 1692 B12R1.308 CN1CCCC[C@@H]1C(=O)CCO 1458a_100000767060_100000211926 [0,0,0,1,0,0|3,0,0]=4 1693 B12R1.308 CNCC(=O)N1CCCCC1C 2230a_106832991635_100000182743 [0,0,0,1,0,0|3,0,0]=4 1694 B12R1.308 CNCC(=O)N1CCCCC1C 34a_100102657272_100000182743 [0,0,0,1,0,0|3,0,0]=4 1695 B12R1.308 CNCC(=O)N1CCCCC1C 7a_106832991635_100000182743 [0,0,0,1,0,0|3,0,0]=4 1696 B12R1.308 CNNC(=O)C1CCCCC1C 22a_100016993582_100011215568 [0,0,0,1,0,0|2,0,0]=3 1697 B12R1.308 CNNC(=O)C1CCCCC1O 22a_100016993582_100011803323 [0,0,0,1,0,0|3,0,0]=4 1698 B12R1.308 CNNC(=O)[C@H]1CCCCN1C 22a_100016993582_100000767060 [0,0,0,1,0,0|3,0,0]=4 1699 B12R1.308 COCC(=O)N1CCCCC1C 11a_100000211376_100000210968 [0,0,0,1,0,0|3,0,0]=4 1700 B12R1.308 COCC(=O)N1CCCCC1C 1626a_100000211376_100000210968 [0,0,0,1,0,0|3,0,0]=4 1701 B12R1.308 COCC(=O)N1CCCCC1C 240690a_100000211376_100000210968 [0,0,0,1,0,0|3,0,0]=4 1702 B12R1.308 COCC(=O)N1CCCCC1C 34a_100138415774_100000182743 [0,0,0,1,0,0|3,0,0]=4 1703 B12R1.308 COCC(=O)N1CCCCC1C 527a_100000211376_100000210968 [0,0,0,1,0,0|3,0,0]=4 1704 B12R1.308 CSCC(=O)N1CCCCC1C 11a_100000211376_100000184570 [0,0,0,1,0,0|3,0,0]=4 1705 B12R1.308 CSCC(=O)N1CCCCC1C 1626a_100000211376_100000184570 [0,0,0,1,0,0|3,0,0]=4 1706 B12R1.308 CSCC(=O)N1CCCCC1C 240690a_100000211376_100000184570 [0,0,0,1,0,0|3,0,0]=4 1707 B12R1.308 CSCC(=O)N1CCCCC1C 527a_100000211376_100000184570 [0,0,0,1,0,0|3,0,0]=4 1708 B12R1.308 CSCC(=O)N1CCCCC1C 62a_100000182743_200000210301 [0,0,0,1,0,0|3,0,0]=4 1709 B12R1.308 CSCC(=O)N1CCCCC1C 62a_200000210301_100000182743 [0,0,0,1,0,0|3,0,0]=4 1710 B12R1.308 O=C(CCF)C1CCCCC1O 1458a_100011803323_100011217306 [0,0,0,1,0,0|3,0,0]=4 1711 B12R1.308 O=C(CCO)C1CCCCC1O 1458a_100011803323_100000211926 [0,0,0,1,0,0|3,0,0]=4 1712 B12R1.312 CCCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210303 [0,0,0,1,0,0|2,0,0]=3 1713 B12R1.312 CCCC(=O)N1CCC(C1)CO 240690a_100000748654_100000211992 [0,0,0,1,0,0|3,0,0]=4 1714 B12R1.312 CCCC(=O)N1CCC(C1)CO 527a_100000748654_100000211992 [0,0,0,1,0,0|3,0,0]=4 1715 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000211992 [0,0,0,1,0,0|3,0,0]=4 1716 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000211992 [0,0,0,1,0,0|3,0,0]=4 1717 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000211992 [0,0,0,1,0,0|3,0,0]=4 1718 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000211992 [0,0,0,1,0,0|3,0,0]=4 1719 B12R1.312 CCCN(C)C1CCC(C1)CC 270004a_100000747261_100011218773 [0,0,0,1,0,0|3,0,0]=4 1720 B12R1.312 CCN1CCC(C1)C(=O)CCF 1458a_100103286618_100011217306 [0,0,0,1,0,0|3,0,0]=4 1721 B12R1.312 CCN1CCC(C1)C(=O)CCO 1458a_100103286618_100000211926 [0,0,0,1,0,0|3,0,0]=4 1722 B12R1.312 CCN1CCC(C1)C(=O)NNC 22a_100016993582_100103286618 [0,0,0,1,0,0|3,0,0]=4 1723 B12R1.312 CCNC(=O)C1CCN(C1)CC 11a_100015525214_100103286618 [0,0,0,1,0,0|2,0,0]=3 1724 B12R1.312 CCNC(=O)C1CCN(C1)CC 240690a_100015525214_100103286618 [0,0,0,1,0,0|2,0,0]=3 1725 B12R1.312 CCNC(=O)N1CCC(C1)CO 2708a_100015525214_100000748654 [0,0,0,1,0,0|3,0,0]=4 1726 B12R1.312 CCNC(=O)N1CCC(C1)CO 273464a_100015525214_100000748654 [0,0,0,1,0,0|3,0,0]=4 1727 B12R1.312 CCNC(=O)N1CC[C@H](C1)OC 2708a_100015525214_100000766984 [0,0,0,1,0,0|3,0,0]=4 1728 B12R1.312 CCNC(=O)N1CC[C@H](C1)OC 273464a_100015525214_100000766984 [0,0,0,1,0,0|3,0,0]=4 1729 B12R1.312 CCOC(=O)C1CCC(C1)NC 270004a_106832991635_100000077466 [0,0,0,1,0,0|1,0,0]=2 1730 B12R1.312 CCOC(=O)C1CCN(C1)CC 2230a_100016987290_100000210202 [0,0,0,1,0,0|1,0,0]=2 1731 B12R1.312 CCOC(=O)C1CCN(C1)CC 269982a_100016987290_100000204670 [0,0,0,1,0,0|1,0,0]=2 1732 B12R1.312 CCOC(=O)C1CCN(C1)CF 269982a_100016987290_100015361967 [0,0,0,1,0,0|2,0,0]=3 1733 B12R1.320 CCCCC1CCCC1NCC 269862a_100015525214_100000750825 [0,0,0,1,0,0|2,0,1]=4 1734 B12R1.320 CCCCC1CCCC1NCC 270004a_100015525214_100000750825 [0,0,0,1,0,0|2,0,1]=4 1735 B12R1.504 CCCCC(CC)N1CC(C1)C 269982a_100000702820_200011216223 [0,0,0,1,0,0|3,0,0]=4 1736 B12R1.504 CCCCC(CC)N1CC(C1)C 270004a_100000702820_100000753412 [0,0,0,1,0,0|3,0,0]=4 1737 B12R1.504 CCCCC(CC)N1CC(C1)C 34a_100000702820_200011216223 [0,0,0,1,0,0|3,0,0]=4 1738 B12R1.535 CCCC(=O)N1CCC1COC 11a_100015195929_100000211992 [0,0,0,1,0,0|3,0,0]=4 1739 B12R1.535 CCCC(=O)N1CCC1COC 1626a_100015195929_100000211992 [0,0,0,1,0,0|3,0,0]=4 1740 B12R1.535 CCCC(=O)N1CCC1COC 240690a_100015195929_100000211992 [0,0,0,1,0,0|3,0,0]=4 1741 B12R1.535 CCCC(=O)N1CCC1COC 527a_100015195929_100000211992 [0,0,0,1,0,0|3,0,0]=4 1742 B12R1.535 CCNC(=O)N1CCC1COC 2708a_100015525214_100015195929 [0,0,0,1,0,0|3,0,0]=4 1743 B12R1.535 CCNC(=O)N1CCC1COC 273464a_100015525214_100015195929 [0,0,0,1,0,0|3,0,0]=4 1744 B12R1.542 CCC1C(=O)NCCN1CCF 2230a_100000187962_100011217306 [0,0,0,1,0,0|3,0,0]=4 1745 B12R1.542 CCC1C(=O)NCCN1CCF 269982a_100000187962_100011217306 [0,0,0,1,0,0|3,0,0]=4 1746 B12R1.542 CCC1C(=O)NCCN1CCF 34a_100000187962_100011217306 [0,0,0,1,0,0|3,0,0]=4 1747 B12R1.542 CCC1C(=O)NCCN1CCO 2230a_100000187962_100000211926 [0,0,0,1,0,0|3,0,0]=4 1748 B12R1.542 CCC1C(=O)NCCN1CCO 269982a_100000187962_100000211926 [0,0,0,1,0,0|3,0,0]=4 1749 B12R1.542 CCC1C(=O)NCCN1CCO 34a_100000187962_100000211926 [0,0,0,1,0,0|3,0,0]=4 1750 B12R1.542 CCC1C(=O)NCCN1COC 2230a_100000187962_100000766300 [0,0,0,1,0,0|3,0,0]=4 1751 B12R1.542 CCC1C(=O)NCCN1COC 269982a_100000187962_100000766300 [0,0,0,1,0,0|3,0,0]=4 1752 B12R1.542 CCC1C(=O)NCCN1CSC 2230a_100000187962_100011218213 [0,0,0,1,0,0|3,0,0]=4 1753 B12R1.542 CCC1C(=O)NCCN1CSC 269982a_100000187962_100011218213 [0,0,0,1,0,0|3,0,0]=4 1754 B12R1.542 CCC1C(=O)NCCN1CSC 34a_100000187962_100011218213 [0,0,0,1,0,0|3,0,0]=4 1755 B12R1.542 CCCN1CCNC(=O)C1CC 2230a_100000187962_100000210303 [0,0,0,1,0,0|2,0,0]=3 1756 B12R1.542 CCCN1CCNC(=O)C1CC 269982a_100000187962_100000210303 [0,0,0,1,0,0|2,0,0]=3 1757 B12R1.542 CCCN1CCNC(=O)C1CC 34a_100000187962_100000210303 [0,0,0,1,0,0|2,0,0]=3 1758 B12R1.1564 C#CCC(=O)C1CCCCCC1 1458a_100000749507_100000184674 [0,0,0,1,0,0|1,0,2]=4 1759 B12R1.1564 C#CCC(=O)C1CCCCCC1 1458a_100011220946_100011217769 [0,0,0,1,0,0|1,0,2]=4 1760 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000210193_100011217769 [0,0,0,1,0,0|1,0,2]=4 1761 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000749507_100000210623 [0,0,0,1,0,0|1,0,2]=4 1762 B12R1.1564 CC#CC(=O)C1CCCCCC1 1458a_100000763181_100011217769 [0,0,0,1,0,0|1,0,1]=3 1763 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [0,0,0,1,0,0|1,0,1]=3 1764 B12R1.1564 CC=CC(=O)N1CCCCCC1 11a_100000185865_100000210699 [0,0,0,1,0,0|2,0,1]=4 1765 B12R1.1564 CC=CC(=O)N1CCCCCC1 1626a_100000185865_100000210699 [0,0,0,1,0,0|2,0,1]=4 1766 B12R1.1564 CC=CC(=O)N1CCCCCC1 240690a_100000185865_100000210699 [0,0,0,1,0,0|2,0,1]=4 1767 B12R1.1564 CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210303 [0,0,0,1,0,0|1,0,2]=4 1768 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,0,0,1,0,0|1,0,0]=2 1769 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,0,0,1,0,0|1,0,0]=2 1770 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [0,0,0,1,0,0|2,0,0]=3 1771 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [0,0,0,1,0,0|2,0,0]=3 1772 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [0,0,0,1,0,0|2,0,0]=3 1773 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [0,0,0,1,0,0|2,0,0]=3 1774 B12R1.1564 CCCC(=O)N1CCCOCC1 11a_100000685342_100000211992 [0,0,0,1,0,0|3,0,0]=4 1775 B12R1.1564 CCCC(=O)N1CCCOCC1 1626a_100000685342_100000211992 [0,0,0,1,0,0|3,0,0]=4 1776 B12R1.1564 CCCC(=O)N1CCCOCC1 240690a_100000685342_100000211992 [0,0,0,1,0,0|3,0,0]=4 1777 B12R1.1564 CCCC(=O)N1CCCOCC1 527a_100000685342_100000211992 [0,0,0,1,0,0|3,0,0]=4 1778 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015185097_100000210303 [0,0,0,1,0,0|3,0,0]=4 1779 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015187045_200000210301 [0,0,0,1,0,0|3,0,0]=4 1780 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100000747261_100011217769 [0,0,0,1,0,0|3,0,0]=4 1781 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015185097_100000210303 [0,0,0,1,0,0|3,0,0]=4 1782 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015187045_200000210301 [0,0,0,1,0,0|3,0,0]=4 1783 B12R1.1564 CCCN(C)C1CCCCCC1 270004a_100000747261_100000210131 [0,0,0,1,0,0|3,0,0]=4 1784 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015185097_100000210303 [0,0,0,1,0,0|3,0,0]=4 1785 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015187045_200000210301 [0,0,0,1,0,0|3,0,0]=4 1786 B12R1.1564 CCCN([13CH3])C1CCCCCC1 2230a_100015187045_200025704644 [0,0,0,1,0,0|3,0,0]=4 1787 B12R1.1564 CCCN([13CH3])C1CCCCCC1 269982a_100015187045_200025704644 [0,0,0,1,0,0|3,0,0]=4 1788 B12R1.1564 CCCN([13CH3])C1CCCCCC1 34a_100015187045_200025704644 [0,0,0,1,0,0|3,0,0]=4 1789 B12R1.1564 CCNC(=O)C1CCC=CCC1 11a_100015525214_100000048548 [0,0,0,1,0,0|1,0,2]=4 1790 B12R1.1564 CCNC(=O)C1CCC=CCC1 240690a_100015525214_100000048548 [0,0,0,1,0,0|1,0,2]=4 1791 B12R1.1564 CCNC(=O)C1CCC=CCC1 527a_100015525214_100000048548 [0,0,0,1,0,0|1,0,2]=4 1792 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [0,0,0,1,0,0|1,0,0]=2 1793 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [0,0,0,1,0,0|1,0,0]=2 1794 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [0,0,0,1,0,0|1,0,0]=2 1795 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [0,0,0,1,0,0|2,0,0]=3 1796 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [0,0,0,1,0,0|2,0,0]=3 1797 B12R1.1564 CCNC(=O)N1CCCOCC1 2708a_100015525214_100000685342 [0,0,0,1,0,0|3,0,0]=4 1798 B12R1.1564 CCNC(=O)N1CCCOCC1 273464a_100015525214_100000685342 [0,0,0,1,0,0|3,0,0]=4 1799 B12R1.1564 CNCC(=O)N1CCCCCC1 2230a_106832991635_100000182869 [0,0,0,1,0,0|3,0,0]=4 1800 B12R1.1564 CNCC(=O)N1CCCCCC1 34a_100102657272_100000182869 [0,0,0,1,0,0|3,0,0]=4 1801 B12R1.1564 CNCC(=O)N1CCCCCC1 7a_106832991635_100000182869 [0,0,0,1,0,0|3,0,0]=4 1802 B12R1.1564 CNNC(=O)C1CCCCCC1 22a_100016993582_100000749507 [0,0,0,1,0,0|2,0,0]=3 1803 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [0,0,0,1,0,0|2,0,0]=3 1804 B12R1.1564 COCC(=O)N1CCCCCC1 11a_100000185865_100000210968 [0,0,0,1,0,0|3,0,0]=4 1805 B12R1.1564 COCC(=O)N1CCCCCC1 1626a_100000185865_100000210968 [0,0,0,1,0,0|3,0,0]=4 1806 B12R1.1564 COCC(=O)N1CCCCCC1 240690a_100000185865_100000210968 [0,0,0,1,0,0|3,0,0]=4 1807 B12R1.1564 COCC(=O)N1CCCCCC1 34a_100138415774_100000182869 [0,0,0,1,0,0|3,0,0]=4 1808 B12R1.1564 COCC(=O)N1CCCCCC1 527a_100000185865_100000210968 [0,0,0,1,0,0|3,0,0]=4 1809 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [0,0,0,1,0,0|2,0,0]=3 1810 B12R1.1564 CSCC(=O)N1CCCCCC1 11a_100000185865_100000184570 [0,0,0,1,0,0|3,0,0]=4 1811 B12R1.1564 CSCC(=O)N1CCCCCC1 1626a_100000185865_100000184570 [0,0,0,1,0,0|3,0,0]=4 1812 B12R1.1564 CSCC(=O)N1CCCCCC1 240690a_100000185865_100000184570 [0,0,0,1,0,0|3,0,0]=4 1813 B12R1.1564 CSCC(=O)N1CCCCCC1 527a_100000185865_100000184570 [0,0,0,1,0,0|3,0,0]=4 1814 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_100000182869_200000210301 [0,0,0,1,0,0|3,0,0]=4 1815 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_200000210301_100000182869 [0,0,0,1,0,0|3,0,0]=4 1816 B12R1.1564 N#CCC(=O)C1CCCCCC1 1458a_100000749507_100011214920 [0,0,0,1,0,0|2,0,1]=4 1817 B12R1.1564 N#CCC(=O)C1CCCCCC1 1458a_100051588842_100011217769 [0,0,0,1,0,0|2,0,1]=4 1818 B12R1.1564 O=C(C=CBr)C1CCCCCC1 1458a_100016273825_100011217769 [0,0,0,1,0,0|2,0,1]=4 1819 B12R1.1564 O=C(C=CCl)C1CCCCCC1 1458a_200016279998_100011217769 [0,0,0,1,0,0|2,0,1]=4 1820 B12R1.1564 O=C(C=CI)C1CCCCCC1 1458a_100016256311_100011217769 [0,0,0,1,0,0|2,0,1]=4 1821 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [0,0,0,1,0,0|2,0,0]=3 1822 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [0,0,0,1,0,0|2,0,0]=3 1823 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [0,0,0,1,0,0|2,0,0]=3 1824 B12R1.1564 O=C(CCO)N1CCCCCC1 240690a_100000185865_100011216618 [0,0,0,1,0,0|3,0,0]=4 1825 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_100000182869_200025704644 [0,0,0,1,0,0|3,0,0]=4 1826 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_200025704644_100000182869 [0,0,0,1,0,0|3,0,0]=4 1827 B12R1.1574 CC=CC(=O)N(CC)C1CCC1 11a_100000758130_100000210699 [0,0,0,1,0,0|2,0,1]=4 1828 B12R1.1574 CC=CC(=O)N(CC)C1CCC1 1626a_100000758130_100000210699 [0,0,0,1,0,0|2,0,1]=4 1829 B12R1.1574 CC=CC(=O)N(CC)C1CCC1 240690a_100000758130_100000210699 [0,0,0,1,0,0|2,0,1]=4 1830 B12R1.1574 CCCC(=O)N(CC)C1CCC1 11a_100000758130_100000211992 [0,0,0,1,0,0|2,0,0]=3 1831 B12R1.1574 CCCC(=O)N(CC)C1CCC1 1626a_100000758130_100000211992 [0,0,0,1,0,0|2,0,0]=3 1832 B12R1.1574 CCCC(=O)N(CC)C1CCC1 240690a_100000758130_100000211992 [0,0,0,1,0,0|2,0,0]=3 1833 B12R1.1574 CCCC(=O)N(CC)C1CCC1 527a_100000758130_100000211992 [0,0,0,1,0,0|2,0,0]=3 1834 B12R1.1574 CCCC(=O)N(CC)C1COC1 11a_200015199590_100000211992 [0,0,0,1,0,0|3,0,0]=4 1835 B12R1.1574 CCCC(=O)N(CC)C1COC1 1626a_200015199590_100000211992 [0,0,0,1,0,0|3,0,0]=4 1836 B12R1.1574 CCN(C(=O)CCO)C1CCC1 240690a_100000758130_100011216618 [0,0,0,1,0,0|3,0,0]=4 1837 B12R1.1574 CCN(C(=O)COC)C1CCC1 11a_100000758130_100000210968 [0,0,0,1,0,0|3,0,0]=4 1838 B12R1.1574 CCN(C(=O)COC)C1CCC1 1626a_100000758130_100000210968 [0,0,0,1,0,0|3,0,0]=4 1839 B12R1.1574 CCN(C(=O)COC)C1CCC1 240690a_100000758130_100000210968 [0,0,0,1,0,0|3,0,0]=4 1840 B12R1.1574 CCN(C(=O)COC)C1CCC1 527a_100000758130_100000210968 [0,0,0,1,0,0|3,0,0]=4 1841 B12R1.1574 CCN(C(=O)CSC)C1CCC1 11a_100000758130_100000184570 [0,0,0,1,0,0|3,0,0]=4 1842 B12R1.1574 CCN(C(=O)CSC)C1CCC1 1626a_100000758130_100000184570 [0,0,0,1,0,0|3,0,0]=4 1843 B12R1.1574 CCN(C(=O)CSC)C1CCC1 240690a_100000758130_100000184570 [0,0,0,1,0,0|3,0,0]=4 1844 B12R1.1574 CCN(C(=O)CSC)C1CCC1 527a_100000758130_100000184570 [0,0,0,1,0,0|3,0,0]=4 1845 B12R1.1574 CCNC(=O)N(CC)C1CCC1 2708a_100015525214_100000758130 [0,0,0,1,0,0|2,0,0]=3 1846 B12R1.1574 CCNC(=O)N(CC)C1CCC1 273464a_100015525214_100000758130 [0,0,0,1,0,0|2,0,0]=3 1847 B12R1.1574 CCNC(=O)N(CC)C1COC1 2708a_100015525214_200015199590 [0,0,0,1,0,0|3,0,0]=4 1848 B12R1.1574 CCNC(=O)N(CC)C1COC1 273464a_100015525214_200015199590 [0,0,0,1,0,0|3,0,0]=4 1849 B12R1.1574 CCOC(=O)C(CC)N1CCC1 269982a_100000754969_100000212269 [0,0,0,1,0,0|1,0,0]=2 1850 B12R1.1574 CCOC(=O)C(SC)N1CCC1 269982a_100000754969_100009893047 [0,0,0,1,0,0|2,0,0]=3 1851 B12R1.1576 CCOC(=O)C(C=O)SC1CC1 62a_100000053139_100000211595 [0,0,0,1,0,0|2,0,1]=4 1852 B12R1.1576 CCOC(=O)C(CC)NC1CC1 34a_100000212008_100000212269 [0,0,0,1,0,0|1,0,0]=2 1853 B12R1.1576 CCOC(=O)C(CC)OC1CC1 34a_100011216719_100000211595 [0,0,0,1,0,0|1,0,0]=2 1854 B12R1.1576 CCOC(=O)C(CC)SC1CC1 62a_100000212269_100000211595 [0,0,0,1,0,0|1,0,0]=2 1855 B12R1.1576 CCOC(=O)C(NC1CC1)SC 34a_100000212008_100009893047 [0,0,0,1,0,0|2,0,0]=3 1856 B12R1.1576 CCOC(=O)C(SC)SC1CC1 62a_100009893047_100000211595 [0,0,0,1,0,0|2,0,0]=3 1857 B12R1.1631 CCNCC1C(=CCCC1C)C 270004a_100015525214_100000066159 [0,0,0,1,0,0|3,0,0]=4 1858 B12R1.1765 CCCCC(CC)C(=O)C1CC1 1458a_100000210395_200011216223 [0,0,0,1,0,0|1,0,0]=2 1859 B12R1.1765 CCCCC(CC)C(=O)C1CO1 1458a_100000701028_200011216223 [0,0,0,1,0,0|2,0,0]=3 1860 B12R1.1765 CCCCC(CC)N(C)C1CC1 269982a_100000226674_200011216223 [0,0,0,1,0,0|3,0,0]=4 1861 B12R1.1765 CCCCC(CC)N(C)C1CC1 270004a_100000226674_100000753412 [0,0,0,1,0,0|3,0,0]=4 1862 B12R1.1765 CCCCN(CC)C(=O)C1CC1 11a_100000207695_100000210395 [0,0,0,1,0,0|2,0,0]=3 1863 B12R1.1765 CCCCN(CC)C(=O)C1CC1 1626a_100000207695_100000210395 [0,0,0,1,0,0|2,0,0]=3 1864 B12R1.1765 CCCCN(CC)C(=O)C1CC1 240690a_100000207695_100000210395 [0,0,0,1,0,0|2,0,0]=3 1865 B12R1.1765 CCCCN(CC)C(=O)C1CC1 527a_100000207695_100000210395 [0,0,0,1,0,0|2,0,0]=3 1866 B12R1.1765 CCCCN(CC)C(=O)C1CO1 11a_100000207695_100000701028 [0,0,0,1,0,0|3,0,0]=4 1867 B12R1.1765 CCCCN(CC)C(=O)C1CO1 1626a_100000207695_100000701028 [0,0,0,1,0,0|3,0,0]=4 1868 B12R1.1765 CCCCN(CC)C(=O)C1CO1 240690a_100000207695_100000701028 [0,0,0,1,0,0|3,0,0]=4 1869 B12R1.1765 CCCCN(CC)C(=O)C1CO1 527a_100000207695_100000701028 [0,0,0,1,0,0|3,0,0]=4 1870 B12R1.1765 CCN(CCOC)C(=O)C1CC1 11a_100000731262_100000210395 [0,0,0,1,0,0|3,0,0]=4 1871 B12R1.1765 CCN(CCOC)C(=O)C1CC1 1626a_100000731262_100000210395 [0,0,0,1,0,0|3,0,0]=4 1872 B12R1.1765 CCN(CCOC)C(=O)C1CC1 240690a_100000731262_100000210395 [0,0,0,1,0,0|3,0,0]=4 1873 B12R1.1765 CCN(CCOC)C(=O)C1CC1 527a_100000731262_100000210395 [0,0,0,1,0,0|3,0,0]=4 1874 B12R1.1781 C#CCNC1(CC1)C(=O)OCC 34a_100000212058_100009861064 [0,0,0,1,0,0|1,0,2]=4 1875 B12R1.1781 C#CCOC1(CC1)C(=O)OCC 34a_100000210247_100009861064 [0,0,0,1,0,0|1,0,2]=4 1876 B12R1.1781 C#CCOC1(CC1)C(=O)OCC 7a_200011934196_100000038162 [0,0,0,1,0,0|1,0,2]=4 1877 B12R1.1781 C#CCSC1(CC1)C(=O)OCC 62a_100000038162_100009861064 [0,0,0,1,0,0|1,0,2]=4 1878 B12R1.1781 C=CCOC1(CC1)C(=O)OCC 34a_200000210373_100009861064 [0,0,0,1,0,0|1,0,2]=4 1879 B12R1.1781 C=CCOC1(CC1)C(=O)OCC 7a_200011934196_100015514636 [0,0,0,1,0,0|1,0,2]=4 1880 B12R1.1781 C=CCSC1(CC1)C(=O)OCC 62a_100000210623_100009861064 [0,0,0,1,0,0|1,0,2]=4 1881 B12R1.1781 C=CCSC1(CC1)C(=O)OCC 62a_100009861064_100000210623 [0,0,0,1,0,0|1,0,2]=4 1882 B12R1.1781 CCCOC1(CC1)C(=O)OCC 34a_100000210258_100009861064 [0,0,0,1,0,0|1,0,0]=2 1883 B12R1.1781 CCCOC1(CC1)C(=O)OCC 7a_200011934196_100000210303 [0,0,0,1,0,0|1,0,0]=2 1884 B12R1.1781 CCCSC1(CC1)C(=O)OCC 62a_100000210303_100009861064 [0,0,0,1,0,0|1,0,0]=2 1885 B12R1.1781 CCCSC1(CC1)C(=O)OCC 62a_100009861064_100000210303 [0,0,0,1,0,0|1,0,0]=2 1886 B12R1.1781 CCNCC1(CC1)C(=O)OCC 2230a_100015525214_100010983122 [0,0,0,1,0,0|1,0,0]=2 1887 B12R1.1781 CCOC(=O)C1(CC1)COCF 7a_100000093544_100015361967 [0,0,0,1,0,0|2,0,0]=3 1888 B12R1.1781 CCOC(=O)C1(CC1)CSCC 62a_100000210202_100010983122 [0,0,0,1,0,0|1,0,0]=2 1889 B12R1.1781 CCOC(=O)C1(CC1)CSCC 62a_100010983122_100000210202 [0,0,0,1,0,0|1,0,0]=2 1890 B12R1.1781 CCOC(=O)C1(CC1)CSCF 62a_100010983122_100015361967 [0,0,0,1,0,0|2,0,0]=3 1891 B12R1.1781 CCOC(=O)C1(CC1)CSCF 62a_100015361967_100010983122 [0,0,0,1,0,0|2,0,0]=3 1892 B12R1.1781 CCOC(=O)C1(CC1)NCCF 34a_100000724931_100009861064 [0,0,0,1,0,0|2,0,0]=3 1893 B12R1.1781 CCOC(=O)C1(CC1)NCCO 34a_100016990907_100009861064 [0,0,0,1,0,0|2,0,0]=3 1894 B12R1.1781 CCOC(=O)C1(CC1)OCC#N 7a_200011934196_100011215382 [0,0,0,1,0,0|2,0,1]=4 1895 B12R1.1781 CCOC(=O)C1(CC1)OCC=O 7a_200011934196_200015260668 [0,0,0,1,0,0|2,0,1]=4 1896 B12R1.1781 CCOC(=O)C1(CC1)OCCBr 34a_100000211926_100009861064 [0,0,0,1,0,0|2,0,0]=3 1897 B12R1.1781 CCOC(=O)C1(CC1)OCCF 7a_200011934196_100011217306 [0,0,0,1,0,0|2,0,0]=3 1898 B12R1.1781 CCOC(=O)C1(CC1)OCCN 34a_100000210304_100009861064 [0,0,0,1,0,0|2,0,0]=3 1899 B12R1.1781 CCOC(=O)C1(CC1)OCCO 7a_200011934196_100000211926 [0,0,0,1,0,0|2,0,0]=3 1900 B12R1.1781 CCOC(=O)C1(CC1)SCC#N 62a_100009861064_100011215382 [0,0,0,1,0,0|2,0,1]=4 1901 B12R1.1781 CCOC(=O)C1(CC1)SCC#N 62a_100011215382_100009861064 [0,0,0,1,0,0|2,0,1]=4 1902 B12R1.1781 CCOC(=O)C1(CC1)SCC=O 62a_100009861064_200015260668 [0,0,0,1,0,0|2,0,1]=4 1903 B12R1.1781 CCOC(=O)C1(CC1)SCC=O 62a_200015260668_100009861064 [0,0,0,1,0,0|2,0,1]=4 1904 B12R1.1781 CCOC(=O)C1(CC1)SCCF 62a_100009861064_100011217306 [0,0,0,1,0,0|2,0,0]=3 1905 B12R1.1781 CCOC(=O)C1(CC1)SCCF 62a_100011217306_100009861064 [0,0,0,1,0,0|2,0,0]=3 1906 B12R1.1781 CCOC(=O)C1(CC1)SCCO 62a_100000211926_100009861064 [0,0,0,1,0,0|2,0,0]=3 1907 B12R1.1781 CCOC(=O)C1(CC1)SCCO 62a_100009861064_100000211926 [0,0,0,1,0,0|2,0,0]=3 1908 B12R1.1781 CCOC(=O)C1(CC1)SCOC 62a_100000766300_100009861064 [0,0,0,1,0,0|2,0,0]=3 1909 B12R1.1781 CCOC(=O)C1(CC1)SCOC 62a_100009861064_100000766300 [0,0,0,1,0,0|2,0,0]=3 1910 B12R1.1781 CCOC(=O)C1(CC1)SCSC 62a_100009861064_100011218213 [0,0,0,1,0,0|2,0,0]=3 1911 B12R1.1781 CCOC(=O)C1(CC1)SCSC 62a_100011218213_100009861064 [0,0,0,1,0,0|2,0,0]=3 1912 B12R1.1781 CCOCC1(CC1)C(=O)OCC 34a_100121572206_100010983122 [0,0,0,1,0,0|1,0,0]=2 1913 B12R1.1781 CCOCC1(CC1)C(=O)OCC 7a_100000093544_100000210202 [0,0,0,1,0,0|1,0,0]=2 1914 B12R1.3395 CCCC(=O)C1(CCCC1)C#N 1458a_100000209868_100000210303 [0,0,0,1,0,0|2,0,1]=4 1915 B12R1.3395 CCNC(=O)C1(CCCC1)C#N 11a_100015525214_100000209868 [0,0,0,1,0,0|2,0,1]=4 1916 B12R1.3395 CCNC(=O)C1(CCCC1)C#N 240690a_100015525214_100000209868 [0,0,0,1,0,0|2,0,1]=4 1917 B12R0.607 C#CCC(=O)CC(CC)CCCC 1458a_100011220946_100000211942 [0,0,0,0,0,1|1,0,2]=4 1918 B12R0.607 C#CCCN(CC)CC(=O)OCC 2230a_100000220607_100000688953 [0,0,0,0,0,1|1,0,2]=4 1919 B12R0.607 C#CCCN(CC)CC(=O)OCC 269982a_100000220607_100000730999 [0,0,0,0,0,1|1,0,2]=4 1920 B12R0.607 C/C=C/CN(CC)CC(=O)OCC 269982a_100000220607_100102629194 [0,0,0,0,0,1|1,0,2]=4 1921 B12R0.607 C=CCC(=O)CC(CC)CCCC 1458a_100000210193_100000211942 [0,0,0,0,0,1|1,0,2]=4 1922 B12R0.607 C=CCCN(CC)CC(=O)OCC 2230a_100000220607_100000754431 [0,0,0,0,0,1|1,0,2]=4 1923 B12R0.607 C=CCCN(CC)CC(=O)OCC 269982a_100000220607_100000754431 [0,0,0,0,0,1|1,0,2]=4 1924 B12R0.607 C=COC(=O)CN(CC)CCCC 2230a_100000207695_100000036128 [0,0,0,0,0,1|1,0,2]=4 1925 B12R0.607 C=COC(=O)CN(CC)CCCC 269982a_100000207695_100000036128 [0,0,0,0,0,1|1,0,2]=4 1926 B12R0.607 CC#CC(=O)CC(CC)CCCC 1458a_100000763181_100000211942 [0,0,0,0,0,1|1,0,1]=3 1927 B12R0.607 CC#CCN(CC)CC(=O)OCC 2230a_100000220607_100000748600 [0,0,0,0,0,1|1,0,2]=4 1928 B12R0.607 CC=CC(=O)CC(CC)CCCC 1458a_100000210699_100000211942 [0,0,0,0,0,1|1,0,1]=3 1929 B12R0.607 CC=CC(=O)N[C@H](CO)CCCC 240690a_100011934283_100000210699 [0,0,0,0,0,1|2,0,1]=4 1930 B12R0.607 CC=CCN(CC)CC(=O)OCC 2230a_100000220607_100000070051 [0,0,0,0,0,1|1,0,2]=4 1931 B12R0.607 CCCC(=O)CN(CC)CCOC 2230a_100000731262_100000747444 [0,0,0,0,0,1|3,0,0]=4 1932 B12R0.607 CCCC(=O)CN(CC)CCOC 269982a_100000731262_100000747444 [0,0,0,0,0,1|3,0,0]=4 1933 B12R0.607 CCCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000211992 [0,0,0,0,0,1|3,0,0]=4 1934 B12R0.607 CCCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000211992 [0,0,0,0,0,1|3,0,0]=4 1935 B12R0.607 CCCCC(CC)CC(=O)C=CBr 1458a_100016273825_100000211942 [0,0,0,0,0,1|2,0,1]=4 1936 B12R0.607 CCCCC(CC)CC(=O)C=CCl 1458a_200016279998_100000211942 [0,0,0,0,0,1|2,0,1]=4 1937 B12R0.607 CCCCC(CC)CC(=O)C=CI 1458a_100016256311_100000211942 [0,0,0,0,0,1|2,0,1]=4 1938 B12R0.607 CCCCC(CC)CC(=O)CC#N 1458a_100051588842_100000211942 [0,0,0,0,0,1|2,0,1]=4 1939 B12R0.607 CCCCC(CC)CC(=O)CCC 1458a_100000211992_100000211942 [0,0,0,0,0,1|1,0,0]=2 1940 B12R0.607 CCCCC(CC)CC(=O)CCO 1458a_100011216618_100000211942 [0,0,0,0,0,1|2,0,0]=3 1941 B12R0.607 CCCCC(CC)CC(=O)COC 1458a_100000210968_100000211942 [0,0,0,0,0,1|2,0,0]=3 1942 B12R0.607 CCCCC(CC)CC(=O)CSC 1458a_100000184570_100000211942 [0,0,0,0,0,1|2,0,0]=3 1943 B12R0.607 CCCCC(CC)CC(C)OCC 7a_200011290772_100000210202 [0,0,0,0,0,1|1,0,1]=3 1944 B12R0.607 CCCCC(CC)CC(C)OCF 7a_200011290772_100015361967 [0,0,0,0,0,1|2,0,1]=4 1945 B12R0.607 CCCCC(CC)CN(C)CCC 2230a_100000747261_100000211942 [0,0,0,0,0,1|3,0,0]=4 1946 B12R0.607 CCCCC(CC)CN(C)CCC 269982a_100000747261_100000211942 [0,0,0,0,0,1|3,0,0]=4 1947 B12R0.607 CCCCC(CC)CN(C)CCC 270004a_100000747261_100011219736 [0,0,0,0,0,1|3,0,0]=4 1948 B12R0.607 CCCCC(CC)NC(C)CCC 270004a_100000741246_100000753412 [0,0,0,0,0,1|2,0,1]=4 1949 B12R0.607 CCCCC(CC)OC(C)CCC 34a_100000764384_200011216223 [0,0,0,0,0,1|2,0,1]=4 1950 B12R0.607 CCCCC(CC)OC(C)CCC 34a_100011215227_100000766640 [0,0,0,0,0,1|2,0,1]=4 1951 B12R0.607 CCCCC(CC)OC(C)CCC 7a_100000764384_200011216223 [0,0,0,0,0,1|2,0,1]=4 1952 B12R0.607 CCCCC(CC)OC(C)CCC 7a_100011215227_100000766640 [0,0,0,0,0,1|2,0,1]=4 1953 B12R0.607 CCCCC(CC)SC(C)CCC 62a_100000766640_200011216223 [0,0,0,0,0,1|2,0,1]=4 1954 B12R0.607 CCCCC(CC)SC(C)CCC 62a_200011216223_100000766640 [0,0,0,0,0,1|2,0,1]=4 1955 B12R0.607 CCCCN(CC)CC(=O)CCC 2230a_100000207695_100000747444 [0,0,0,0,0,1|2,0,0]=3 1956 B12R0.607 CCCCN(CC)CC(=O)CCC 269982a_100000207695_100000747444 [0,0,0,0,0,1|2,0,0]=3 1957 B12R0.607 CCCCN(CC)CC(=O)NCC 2230a_100000207695_100000183381 [0,0,0,0,0,1|2,0,0]=3 1958 B12R0.607 CCCCN(CC)CC(=O)NCC 269982a_100000207695_100000183381 [0,0,0,0,0,1|2,0,0]=3 1959 B12R0.607 CCCCN(CC)CC(=O)NCO 2230a_100000207695_100000185155 [0,0,0,0,0,1|3,0,0]=4 1960 B12R0.607 CCCCN(CC)CC(=O)NCO 269982a_100000207695_100000185155 [0,0,0,0,0,1|3,0,0]=4 1961 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000207695_100000188475 [0,0,0,0,0,1|1,0,0]=2 1962 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210211 [0,0,0,0,0,1|1,0,0]=2 1963 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000207695_100000188475 [0,0,0,0,0,1|1,0,0]=2 1964 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210211 [0,0,0,0,0,1|1,0,0]=2 1965 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC 240690a_100011934283_100000211992 [0,0,0,0,0,1|2,0,0]=3 1966 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC 527a_100011934283_100000211992 [0,0,0,0,0,1|2,0,0]=3 1967 B12R0.607 CCCC[C@@H](CO)NC(=O)CCO 240690a_100011934283_100011216618 [0,0,0,0,0,1|3,0,0]=4 1968 B12R0.607 CCCC[C@@H](CO)NC(=O)COC 240690a_100011934283_100000210968 [0,0,0,0,0,1|3,0,0]=4 1969 B12R0.607 CCCC[C@@H](CO)NC(=O)COC 527a_100011934283_100000210968 [0,0,0,0,0,1|3,0,0]=4 1970 B12R0.607 CCCC[C@@H](CO)NC(=O)CSC 240690a_100011934283_100000184570 [0,0,0,0,0,1|3,0,0]=4 1971 B12R0.607 CCCC[C@@H](CO)NC(=O)CSC 527a_100011934283_100000184570 [0,0,0,0,0,1|3,0,0]=4 1972 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100011934283 [0,0,0,0,0,1|2,0,0]=3 1973 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 273464a_100011934283_100015525214 [0,0,0,0,0,1|2,0,0]=3 1974 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100011934283 [0,0,0,0,0,1|2,0,0]=3 1975 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 512a_100011934283_100015525214 [0,0,0,0,0,1|2,0,0]=3 1976 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100011934283 [0,0,0,0,0,1|2,0,0]=3 1977 B12R0.607 CCCC[C@@H](CO)NC(=O)NNC 273464a_100011934283_100016993582 [0,0,0,0,0,1|3,0,0]=4 1978 B12R0.607 CCCC[C@@H](CO)NC(=O)NNC 512a_100011934283_100016993582 [0,0,0,0,0,1|3,0,0]=4 1979 B12R0.607 CCCC[C@@H](CO)NC(=O)NNC 512a_100016993582_100011934283 [0,0,0,0,0,1|3,0,0]=4 1980 B12R0.607 CCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210303 [0,0,0,0,0,1|2,0,0]=3 1981 B12R0.607 CCNC(=O)CN(CC)CCOC 2230a_100000731262_100000183381 [0,0,0,0,0,1|3,0,0]=4 1982 B12R0.607 CCNC(=O)CN(CC)CCOC 269982a_100000731262_100000183381 [0,0,0,0,0,1|3,0,0]=4 1983 B12R0.607 CCNC(=O)N[C@H](CO)CCSC 2708a_100015525214_100011827619 [0,0,0,0,0,1|3,0,0]=4 1984 B12R0.607 CCNC(=O)N[C@H](CO)CCSC 273464a_100011827619_100015525214 [0,0,0,0,0,1|3,0,0]=4 1985 B12R0.607 CCNC(=O)N[C@H](CO)CCSC 273464a_100015525214_100011827619 [0,0,0,0,0,1|3,0,0]=4 1986 B12R0.607 CCNC(=O)N[C@H](CO)CCSC 512a_100011827619_100015525214 [0,0,0,0,0,1|3,0,0]=4 1987 B12R0.607 CCNC(=O)N[C@H](CO)CCSC 512a_100015525214_100011827619 [0,0,0,0,0,1|3,0,0]=4 1988 B12R0.607 CCNN=C(CC)CC(=O)OCC 4a_100000756455_100000758052 [0,0,0,0,0,1|2,0,1]=4 1989 B12R0.607 CCOC(=O)CN(CC)CCC#N 2230a_100000220607_100011215226 [0,0,0,0,0,1|2,0,1]=4 1990 B12R0.607 CCOC(=O)CN(CC)CCC#N 2230a_100000226048_100000188475 [0,0,0,0,0,1|2,0,1]=4 1991 B12R0.607 CCOC(=O)CN(CC)CCC#N 269982a_100000220607_100011215226 [0,0,0,0,0,1|2,0,1]=4 1992 B12R0.607 CCOC(=O)CN(CC)CCCF 2230a_100000220607_100011934791 [0,0,0,0,0,1|2,0,0]=3 1993 B12R0.607 CCOC(=O)CN(CC)CCCF 269982a_100000220607_100011934791 [0,0,0,0,0,1|2,0,0]=3 1994 B12R0.607 CCOC(=O)CN(CC)CCCO 2230a_100000220607_100000230001 [0,0,0,0,0,1|2,0,0]=3 1995 B12R0.607 CCOC(=O)CN(CC)CCCO 269982a_100000220607_100011215043 [0,0,0,0,0,1|2,0,0]=3 1996 B12R0.607 CCOC(=O)CN(CC)CCOC 2230a_100000220607_100011201679 [0,0,0,0,0,1|2,0,0]=3 1997 B12R0.607 CCOC(=O)CN(CC)CCOC 2230a_100000731262_100000188475 [0,0,0,0,0,1|2,0,0]=3 1998 B12R0.607 CCOC(=O)CN(CC)CCOC 269982a_100000220607_100000233755 [0,0,0,0,0,1|2,0,0]=3 1999 B12R0.607 CCOC(=O)CN(CC)CCOC 269982a_100000731262_100000188475 [0,0,0,0,0,1|2,0,0]=3 2000 B12R0.607 CCOC(=O)CN(CC)CCSC 2230a_100000220607_100000751147 [0,0,0,0,0,1|2,0,0]=3 2001 B12R0.607 CCOC(=O)CN(CC)CCSC 269982a_100000220607_100000212216 [0,0,0,0,0,1|2,0,0]=3 2002 B12R0.607 CCOC(=O)C[C@@H](CCl)OCCF 7a_100000688340_100011217306 [0,0,0,0,0,1|3,0,0]=4 2003 B12R0.607 CCOC(=O)C[C@@H](CCl)OCCO 7a_100000688340_100000211926 [0,0,0,0,0,1|3,0,0]=4 2004 B12R0.607 CCOCN(CC)CC(=O)OCC 269982a_100000220607_100000739092 [0,0,0,0,0,1|2,0,0]=3 2005 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [2,0,0,0,0,0|0,0,1]=3 2006 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [2,0,0,0,0,0|0,0,1]=3 2007 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [2,0,0,0,0,0|1,0,1]=4 2008 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [2,0,0,0,0,0|1,0,1]=4 2009 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [2,0,0,0,0,0|2,0,0]=4 2010 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [2,0,0,0,0,0|2,0,0]=4 2011 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [2,0,0,0,0,0|2,0,0]=4 2012 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [2,0,0,0,0,0|2,0,0]=4 2013 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [2,0,0,0,0,0|2,0,0]=4 2014 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [2,0,0,0,0,0|2,0,0]=4 2015 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [2,0,0,0,0,0|2,0,0]=4 2016 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [2,0,0,0,0,0|1,0,1]=4 2017 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [2,0,0,0,0,0|1,0,1]=4 2018 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [2,0,0,0,0,0|1,0,1]=4 2019 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [2,0,0,0,0,0|1,0,1]=4 2020 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [2,0,0,0,0,0|0,0,2]=4 2021 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [2,0,0,0,0,0|0,0,2]=4 2022 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [2,0,0,0,0,0|0,0,2]=4 2023 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [2,0,0,0,0,0|0,0,2]=4 2024 B9R0.40 CCCCC(CC)CNC 2230a_100000209976_200000210301 [2,0,0,0,0,0|1,0,1]=4 2025 B9R0.40 CCCCC(CC)CNC 2230a_106832991635_100000211942 [2,0,0,0,0,0|1,0,1]=4 2026 B9R0.40 CCCCC(CC)CNC 269862a_106832991636_100011219736 [2,0,0,0,0,0|1,0,1]=4 2027 B9R0.40 CCCCC(CC)CNC 270004a_106832991635_100011219736 [2,0,0,0,0,0|1,0,1]=4 2028 B9R0.40 CCCCC(CC)CNC 34a_100102657272_100000211942 [2,0,0,0,0,0|1,0,1]=4 2029 B9R0.40 CCCCC(CC)CNC 7a_106832991635_100000211942 [2,0,0,0,0,0|1,0,1]=4 2030 B9R0.40 CCCCC(CC)CN[13CH3] 2230a_100000209976_200025704644 [2,0,0,0,0,0|1,0,1]=4 2031 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [2,0,0,0,0,0|0,0,1]=3 2032 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [2,0,0,0,0,0|0,0,1]=3 2033 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [2,0,0,0,0,0|0,0,1]=3 2034 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [2,0,0,0,0,0|0,0,1]=3 2035 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [2,0,0,0,0,0|0,0,1]=3 2036 B9R0.40 CCCCC(CC)CSC 62a_100000211942_200000210301 [2,0,0,0,0,0|0,1,1]=4 2037 B9R0.40 CCCCC(CC)CSC 62a_200000210301_100000211942 [2,0,0,0,0,0|0,1,1]=4 2038 B9R0.40 CCCCC(CC)CS[13CH3] 62a_100000211942_200025704644 [2,0,0,0,0,0|0,1,1]=4 2039 B9R0.40 CCCCC(CC)CS[13CH3] 62a_200025704644_100000211942 [2,0,0,0,0,0|0,1,1]=4 2040 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [2,0,0,0,0,0|1,0,0]=3 2041 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [2,0,0,0,0,0|0,0,0]=2 2042 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [2,0,0,0,0,0|0,0,0]=2 2043 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [2,0,0,0,0,0|0,0,0]=2 2044 B9R0.40 CCCCC(CC)OCF 34a_100011215227_100015361967 [2,0,0,0,0,0|1,0,0]=3 2045 B9R0.40 CCCCC(CC)OCF 7a_100011215227_100015361967 [2,0,0,0,0,0|1,0,0]=3 2046 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [2,0,0,0,0,0|0,1,0]=3 2047 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [2,0,0,0,0,0|0,1,0]=3 2048 B9R0.40 CCCCC(CC)SCF 62a_100015361967_200011216223 [2,0,0,0,0,0|1,1,0]=4 2049 B9R0.40 CCCCC(CC)SCF 62a_200011216223_100015361967 [2,0,0,0,0,0|1,1,0]=4 2050 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [2,0,0,0,0,0|1,0,1]=4 2051 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [2,0,0,0,0,0|1,0,1]=4 2052 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [2,0,0,0,0,0|1,0,1]=4 2053 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [2,0,0,0,0,0|1,0,1]=4 2054 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [2,0,0,0,0,0|1,0,1]=4 2055 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [2,0,0,0,0,0|1,0,1]=4 2056 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [2,0,0,0,0,0|1,0,1]=4 2057 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [2,0,0,0,0,0|1,0,1]=4 2058 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [2,0,0,0,0,0|1,0,1]=4 2059 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [2,0,0,0,0,0|1,0,1]=4 2060 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [2,0,0,0,0,0|1,0,1]=4 2061 B9R0.40 CCCCN(CC)CCC 2230a_100000207695_100000210303 [2,0,0,0,0,0|1,0,1]=4 2062 B9R0.40 CCCCN(CC)CCC 2230a_100000226822_100000210211 [2,0,0,0,0,0|1,0,1]=4 2063 B9R0.40 CCCCN(CC)CCC 2230a_200000207744_100000210202 [2,0,0,0,0,0|1,0,1]=4 2064 B9R0.40 CCCCN(CC)CCC 269982a_100000207695_100000210303 [2,0,0,0,0,0|1,0,1]=4 2065 B9R0.40 CCCCN(CC)CCC 269982a_100000226822_100000210211 [2,0,0,0,0,0|1,0,1]=4 2066 B9R0.40 CCCCN(CC)CCC 269982a_200000207744_100000204670 [2,0,0,0,0,0|1,0,1]=4 2067 B9R0.40 CCCCN(CC)COC 2230a_100000207695_100000766300 [2,0,0,0,0,0|1,0,1]=4 2068 B9R0.40 CCCCN(CC)COC 269982a_100000207695_100000766300 [2,0,0,0,0,0|1,0,1]=4 2069 B9R0.40 CCCC[C@@H](CO)NCC 2230a_100011934283_100000210202 [2,0,0,0,0,0|2,0,0]=4 2070 B9R0.40 CCCC[C@@H](CO)NCC 34a_100011934283_100000210202 [2,0,0,0,0,0|2,0,0]=4 2071 B9R0.40 CCCN(CC)COCC 269982a_100000226822_100000739092 [2,0,0,0,0,0|1,0,1]=4 2072 B9R0.40 CCCNC(CC)CCC 2230a_100000747048_100000210303 [2,0,0,0,0,0|1,0,1]=4 2073 B9R0.40 CCCNC(CC)CCC 270004a_100020643023_100000687865 [2,0,0,0,0,0|1,0,1]=4 2074 B9R0.40 CCCNC(CC)COC 2230a_100000757820_100000210303 [2,0,0,0,0,0|1,0,1]=4 2075 B9R0.40 CCCNC(CC)COC 270004a_100020643023_100000757811 [2,0,0,0,0,0|1,0,1]=4 2076 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [2,0,0,0,0,0|1,0,1]=4 2077 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [2,0,0,0,0,0|1,0,1]=4 2078 B9R0.40 CCCOC(CC)COC 7a_200011214946_100000210303 [2,0,0,0,0,0|1,0,1]=4 2079 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [2,0,0,0,0,0|1,0,1]=4 2080 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [2,0,0,0,0,0|1,0,1]=4 2081 B9R0.40 CCNCC(CC)OCC 2230a_100015183923_100000210202 [2,0,0,0,0,0|1,0,0]=3 2082 B9R0.40 CCNCC(CC)OCC 34a_100015183923_100000210202 [2,0,0,0,0,0|1,0,0]=3 2083 B9R0.40 CCOC(CC)CNCF 34a_100015183923_100015361967 [2,0,0,0,0,0|2,0,0]=4 2084 B9R0.40 CCOCC(CN)OCC 34a_102515437182_100000210202 [2,0,0,0,0,0|2,0,0]=4 2085 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [2,0,0,0,0,0|1,0,1]=4 2086 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [2,0,0,0,0,0|1,0,1]=4 2087 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [2,0,0,0,0,0|2,0,0]=4 2088 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [2,0,0,0,0,0|2,0,0]=4 2089 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [2,0,0,0,0,0|2,0,0]=4 2090 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [2,0,0,0,0,0|2,0,0]=4 2091 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [2,0,0,0,0,0|2,0,0]=4 2092 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [2,0,0,0,0,0|2,0,0]=4 2093 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [2,0,0,0,0,0|2,0,0]=4 2094 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [2,0,0,0,0,0|2,0,0]=4 2095 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [2,0,0,0,0,0|2,0,0]=4 2096 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [2,0,0,0,0,0|2,0,0]=4 2097 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,0,0,0,0|1,0,0]=3 2098 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,0,0,0,0|1,0,0]=3 2099 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [2,0,0,0,0,0|2,0,0]=4 2100 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [2,0,0,0,0,0|2,0,0]=4 2101 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [2,0,0,0,0,0|2,0,0]=4 2102 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [2,0,0,0,0,0|2,0,0]=4 2103 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [2,0,0,0,0,0|2,0,0]=4 2104 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [2,0,0,0,0,0|2,0,0]=4 2105 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [2,0,0,0,0,0|2,0,0]=4 2106 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [2,0,0,0,0,0|2,0,0]=4 2107 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [2,0,0,0,0,0|2,0,0]=4 2108 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [2,0,0,0,0,0|2,0,0]=4 2109 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [2,0,0,0,0,0|2,0,0]=4 2110 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [2,0,0,0,0,0|2,0,0]=4 2111 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [2,0,0,0,0,0|2,0,0]=4 2112 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 2113 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 2114 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 2115 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [2,0,0,0,0,0|2,0,0]=4 2116 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [2,0,0,0,0,0|1,0,1]=4 2117 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [2,0,0,0,0,0|1,0,1]=4 2118 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [2,0,0,0,0,0|1,0,1]=4 2119 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 2120 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 2121 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 2122 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 2123 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 2124 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 2125 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 2126 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 2127 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 2128 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 2129 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [2,0,0,0,0,0|2,0,0]=4 2130 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [2,0,0,0,0,0|2,0,0]=4 2131 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 2132 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 2133 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [2,0,0,0,0,0|2,0,0]=4 2134 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 2135 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [2,0,0,0,0,0|1,0,0]=3 2136 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [2,0,0,0,0,0|2,0,0]=4 2137 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [2,0,0,0,0,0|2,0,0]=4 2138 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [2,0,0,0,0,0|2,0,0]=4 2139 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 2140 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 2141 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 2142 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [2,0,0,0,0,0|2,0,0]=4 2143 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [2,0,0,0,0,0|2,0,0]=4 2144 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [2,0,0,0,0,0|1,0,0]=3 2145 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [2,0,0,0,0,0|1,0,0]=3 2146 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 2147 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 2148 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 2149 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 2150 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 2151 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 2152 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 2153 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 2154 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 2155 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 2156 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 2157 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 2158 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [2,0,0,0,0,0|2,0,0]=4 2159 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [2,0,0,0,0,0|2,0,0]=4 2160 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [2,0,0,0,0,0|2,0,0]=4 2161 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [2,0,0,0,0,0|2,0,0]=4 2162 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [2,0,0,0,0,0|1,0,0]=3 2163 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [2,0,0,0,0,0|1,0,0]=3 2164 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [2,0,0,0,0,0|1,0,0]=3 2165 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [2,0,0,0,0,0|1,0,0]=3 2166 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [2,0,0,0,0,0|1,0,0]=3 2167 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [2,0,0,0,0,0|1,0,0]=3 2168 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [2,0,0,0,0,0|1,0,0]=3 2169 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [2,0,0,0,0,0|1,0,0]=3 2170 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [2,0,0,0,0,0|1,0,0]=3 2171 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [2,0,0,0,0,0|1,0,0]=3 2172 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [2,0,0,0,0,0|1,0,0]=3 2173 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [2,0,0,0,0,0|1,0,0]=3 2174 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [2,0,0,0,0,0|1,0,0]=3 2175 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [2,0,0,0,0,0|2,0,0]=4 2176 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [2,0,0,0,0,0|2,0,0]=4 2177 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [2,0,0,0,0,0|2,0,0]=4 2178 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [2,0,0,0,0,0|2,0,0]=4 2179 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [2,0,0,0,0,0|2,0,0]=4 2180 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [2,0,0,0,0,0|2,0,0]=4 2181 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [2,0,0,0,0,0|2,0,0]=4 2182 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [2,0,0,0,0,0|2,0,0]=4 2183 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [2,0,0,0,0,0|2,0,0]=4 2184 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [2,0,0,0,0,0|2,0,0]=4 2185 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [2,0,0,0,0,0|2,0,0]=4 2186 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [2,0,0,0,0,0|2,0,0]=4 2187 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [2,0,0,0,0,0|2,0,0]=4 2188 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [2,0,0,0,0,0|2,0,0]=4 2189 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [2,0,0,0,0,0|2,0,0]=4 2190 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [2,0,0,0,0,0|2,0,0]=4 2191 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [2,0,0,0,0,0|2,0,0]=4 2192 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [2,0,0,0,0,0|2,0,0]=4 2193 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [2,0,0,0,0,0|2,0,0]=4 2194 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [2,0,0,0,0,0|2,0,0]=4 2195 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [2,0,0,0,0,0|2,0,0]=4 2196 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [2,0,0,0,0,0|1,0,0]=3 2197 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [2,0,0,0,0,0|0,0,2]=4 2198 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [2,0,0,0,0,0|0,0,2]=4 2199 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [2,0,0,0,0,0|2,0,0]=4 2200 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [2,0,0,0,0,0|2,0,0]=4 2201 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [2,0,0,0,0,0|2,0,0]=4 2202 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [2,0,0,0,0,0|2,0,0]=4 2203 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [2,0,0,0,0,0|2,0,0]=4 2204 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [2,0,0,0,0,0|2,0,0]=4 2205 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [2,0,0,0,0,0|2,0,0]=4 2206 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [2,0,0,0,0,0|2,0,0]=4 2207 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [2,0,0,0,0,0|2,0,0]=4 2208 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [2,0,0,0,0,0|2,0,0]=4 2209 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [2,0,0,0,0,0|2,0,0]=4 2210 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [2,0,0,0,0,0|2,0,0]=4 2211 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [2,0,0,0,0,0|2,0,0]=4 2212 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [2,0,0,0,0,0|2,0,0]=4 2213 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [2,0,0,0,0,0|2,0,0]=4 2214 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [2,0,0,0,0,0|2,0,0]=4 2215 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [2,0,0,0,0,0|2,0,0]=4 2216 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [2,0,0,0,0,0|2,0,0]=4 2217 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [2,0,0,0,0,0|2,0,0]=4 2218 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [2,0,0,0,0,0|2,0,0]=4 2219 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [2,0,0,0,0,0|0,0,2]=4 2220 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [2,0,0,0,0,0|0,0,0]=2 2221 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [2,0,0,0,0,0|0,0,0]=2 2222 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [2,0,0,0,0,0|1,0,0]=3 2223 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [2,0,0,0,0,0|1,0,0]=3 2224 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [2,0,0,0,0,0|1,0,0]=3 2225 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [2,0,0,0,0,0|1,0,0]=3 2226 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [2,0,0,0,0,0|1,0,0]=3 2227 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [2,0,0,0,0,0|1,0,0]=3 2228 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [2,0,0,0,0,0|2,0,0]=4 2229 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [2,0,0,0,0,0|2,0,0]=4 2230 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [2,0,0,0,0,0|1,0,0]=3 2231 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [2,0,0,0,0,0|2,0,0]=4 2232 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [2,0,0,0,0,0|2,0,0]=4 2233 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [2,0,0,0,0,0|2,0,0]=4 2234 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [2,0,0,0,0,0|1,0,0]=3 2235 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [2,0,0,0,0,0|1,0,0]=3 2236 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [2,0,0,0,0,0|1,0,0]=3 2237 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [2,0,0,0,0,0|1,0,0]=3 2238 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [2,0,0,0,0,0|2,0,0]=4 2239 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [2,0,0,0,0,0|2,0,0]=4 2240 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [2,0,0,0,0,0|2,0,0]=4 2241 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [2,0,0,0,0,0|2,0,0]=4 2242 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [2,0,0,0,0,0|2,0,0]=4 2243 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [2,0,0,0,0,0|2,0,0]=4 2244 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [2,0,0,0,0,0|2,0,0]=4 2245 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [2,0,0,0,0,0|1,0,0]=3 2246 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [2,0,0,0,0,0|1,0,0]=3 2247 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [2,0,0,0,0,0|1,0,0]=3 2248 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [2,0,0,0,0,0|1,0,0]=3 2249 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [2,0,0,0,0,0|2,0,0]=4 2250 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [2,0,0,0,0,0|2,0,0]=4 2251 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [2,0,0,0,0,0|1,0,0]=3 2252 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [2,0,0,0,0,0|1,0,0]=3 2253 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [2,0,0,0,0,0|2,0,0]=4 2254 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [2,0,0,0,0,0|2,0,0]=4 2255 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [2,0,0,0,0,0|1,0,0]=3 2256 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [2,0,0,0,0,0|1,0,0]=3 2257 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [2,0,0,0,0,0|1,0,0]=3 2258 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [2,0,0,0,0,0|2,0,0]=4 2259 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [2,0,0,0,0,0|2,0,0]=4 2260 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [2,0,0,0,0,0|1,0,0]=3 2261 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [2,0,0,0,0,0|1,0,0]=3 2262 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [2,0,0,0,0,0|1,0,0]=3 2263 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [2,0,0,0,0,0|1,0,0]=3 2264 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [2,0,0,0,0,0|1,0,0]=3 2265 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [2,0,0,0,0,0|1,0,0]=3 2266 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [2,0,0,0,0,0|1,0,0]=3 2267 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [2,0,0,0,0,0|1,0,0]=3 2268 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [2,0,0,0,0,0|1,0,0]=3 2269 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [2,0,0,0,0,0|2,0,0]=4 2270 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [2,0,0,0,0,0|2,0,0]=4 2271 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [2,0,0,0,0,0|2,0,0]=4 2272 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [2,0,0,0,0,0|2,0,0]=4 2273 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [2,0,0,0,0,0|2,0,0]=4 2274 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [2,0,0,0,0,0|2,0,0]=4 2275 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [2,0,0,0,0,0|2,0,0]=4 2276 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [2,0,0,0,0,0|2,0,0]=4 2277 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [2,0,0,0,0,0|2,0,0]=4 2278 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [2,0,0,0,0,0|2,0,0]=4 2279 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [2,0,0,0,0,0|2,0,0]=4 2280 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [2,0,0,0,0,0|2,0,0]=4 2281 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [2,0,0,0,0,0|2,0,0]=4 2282 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [2,0,0,0,0,0|2,0,0]=4 2283 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [2,0,0,0,0,0|2,0,0]=4 2284 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [2,0,0,0,0,0|2,0,0]=4 2285 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [2,0,0,0,0,0|2,0,0]=4 2286 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [2,0,0,0,0,0|2,0,0]=4 2287 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [2,0,0,0,0,0|1,0,0]=3 2288 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [2,0,0,0,0,0|2,0,0]=4 2289 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [2,0,0,0,0,0|2,0,0]=4 2290 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [2,0,0,0,0,0|1,0,1]=4 2291 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [2,0,0,0,0,0|1,0,1]=4 2292 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [2,0,0,0,0,0|1,0,0]=3 2293 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [2,0,0,0,0,0|1,0,0]=3 2294 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [2,0,0,0,0,0|2,0,0]=4 2295 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [2,0,0,0,0,0|2,0,0]=4 2296 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [2,0,0,0,0,0|2,0,0]=4 2297 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [2,0,0,0,0,0|2,0,0]=4 2298 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [2,0,0,0,0,0|2,0,0]=4 2299 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [2,0,0,0,0,0|2,0,0]=4 2300 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [2,0,0,0,0,0|2,0,0]=4 2301 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [2,0,0,0,0,0|2,0,0]=4 2302 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [2,0,0,0,0,0|2,0,0]=4 2303 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [2,0,0,0,0,0|2,0,0]=4 2304 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [2,0,0,0,0,0|2,0,0]=4 2305 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [2,0,0,0,0,0|2,0,0]=4 2306 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [2,0,0,0,0,0|2,0,0]=4 2307 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [2,0,0,0,0,0|2,0,0]=4 2308 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [2,0,0,0,0,0|2,0,0]=4 2309 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [2,0,0,0,0,0|2,0,0]=4 2310 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [2,0,0,0,0,0|1,0,0]=3 2311 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [2,0,0,0,0,0|1,0,0]=3 2312 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [2,0,0,0,0,0|1,0,0]=3 2313 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [2,0,0,0,0,0|2,0,0]=4 2314 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [2,0,0,0,0,0|1,0,1]=4 2315 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [2,0,0,0,0,0|1,0,1]=4 2316 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [2,0,0,0,0,0|2,0,0]=4 2317 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [2,0,0,0,0,0|2,0,0]=4 2318 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [2,0,0,0,0,0|2,0,0]=4 2319 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [2,0,0,0,0,0|2,0,0]=4 2320 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [2,0,0,0,0,0|2,0,0]=4 2321 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [2,0,0,0,0,0|2,0,0]=4 2322 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [2,0,0,0,0,0|2,0,0]=4 2323 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [2,0,0,0,0,0|2,0,0]=4 2324 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [2,0,0,0,0,0|2,0,0]=4 2325 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [2,0,0,0,0,0|2,0,0]=4 2326 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [2,0,0,0,0,0|2,0,0]=4 2327 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [2,0,0,0,0,0|2,0,0]=4 2328 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [2,0,0,0,0,0|2,0,0]=4 2329 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [2,0,0,0,0,0|2,0,0]=4 2330 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [2,0,0,0,0,0|2,0,0]=4 2331 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [2,0,0,0,0,0|2,0,0]=4 2332 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [2,0,0,0,0,0|2,0,0]=4 2333 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [2,0,0,0,0,0|2,0,0]=4 2334 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [2,0,0,0,0,0|2,0,0]=4 2335 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [2,0,0,0,0,0|2,0,0]=4 2336 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [2,0,0,0,0,0|2,0,0]=4 2337 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [2,0,0,0,0,0|1,0,0]=3 2338 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [2,0,0,0,0,0|2,0,0]=4 2339 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [2,0,0,0,0,0|1,1,0]=4 2340 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [2,0,0,0,0,0|1,0,0]=3 2341 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [2,0,0,0,0,0|1,0,0]=3 2342 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [2,0,0,0,0,0|1,0,0]=3 2343 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [2,0,0,0,0,0|2,0,0]=4 2344 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [2,0,0,0,0,0|2,0,0]=4 2345 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [2,0,0,0,0,0|2,0,0]=4 2346 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [2,0,0,0,0,0|2,0,0]=4 2347 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [2,0,0,0,0,0|2,0,0]=4 2348 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [2,0,0,0,0,0|1,0,0]=3 2349 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [2,0,0,0,0,0|2,0,0]=4 2350 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [2,0,0,0,0,0|0,0,2]=4 2351 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [2,0,0,0,0,0|0,0,2]=4 2352 B9R0.12 CCC(=O)C(CC)OCF 34a_200011218131_100015361967 [2,0,0,0,0,0|2,0,0]=4 2353 B9R0.12 CCC(=O)C(CC)OCF 7a_200011218131_100015361967 [2,0,0,0,0,0|2,0,0]=4 2354 B9R0.12 CCC(=O)N(CC)CCO 240690a_100000210973_100000210414 [2,0,0,0,0,0|2,0,0]=4 2355 B9R0.12 CCC(=O)N(CC)CCO 527a_100000210973_100000210414 [2,0,0,0,0,0|2,0,0]=4 2356 B9R0.12 CCC(OCF)C(=O)OC 34a_100000695916_100015361967 [2,0,0,0,0,0|2,0,0]=4 2357 B9R0.12 CCC(OCF)C(=O)OC 7a_100000695916_100015361967 [2,0,0,0,0,0|2,0,0]=4 2358 B9R0.12 CCC(SCF)C(=O)OC 62a_100000235869_100015361967 [2,0,0,0,0,0|2,0,0]=4 2359 B9R0.12 CCC(SCF)C(=O)OC 62a_100015361967_100000235869 [2,0,0,0,0,0|2,0,0]=4 2360 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [2,0,0,0,0,0|0,0,0]=2 2361 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [2,0,0,0,0,0|0,0,0]=2 2362 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [2,0,0,0,0,0|1,0,0]=3 2363 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [2,0,0,0,0,0|1,0,0]=3 2364 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [2,0,0,0,0,0|1,0,0]=3 2365 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [2,0,0,0,0,0|1,0,0]=3 2366 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [2,0,0,0,0,0|1,0,0]=3 2367 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [2,0,0,0,0,0|1,0,0]=3 2368 B9R0.12 CCCC(CC)N(C)CC 269982a_100000225621_100011219200 [2,0,0,0,0,0|2,0,0]=4 2369 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [2,0,0,0,0,0|2,0,0]=4 2370 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [2,0,0,0,0,0|2,0,0]=4 2371 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [2,0,0,0,0,0|1,0,0]=3 2372 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [2,0,0,0,0,0|1,0,0]=3 2373 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [2,0,0,0,0,0|1,0,0]=3 2374 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [2,0,0,0,0,0|2,0,0]=4 2375 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [2,0,0,0,0,0|2,0,0]=4 2376 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [2,0,0,0,0,0|1,0,0]=3 2377 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [2,0,0,0,0,0|1,0,0]=3 2378 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [2,0,0,0,0,0|1,0,0]=3 2379 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [2,0,0,0,0,0|1,0,0]=3 2380 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [2,0,0,0,0,0|1,0,0]=3 2381 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [2,0,0,0,0,0|1,0,0]=3 2382 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [2,0,0,0,0,0|1,0,0]=3 2383 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [2,0,0,0,0,0|1,0,0]=3 2384 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [2,0,0,0,0,0|1,0,0]=3 2385 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [2,0,0,0,0,0|2,0,0]=4 2386 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [2,0,0,0,0,0|2,0,0]=4 2387 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [2,0,0,0,0,0|2,0,0]=4 2388 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [2,0,0,0,0,0|2,0,0]=4 2389 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [2,0,0,0,0,0|1,0,0]=3 2390 B9R0.12 CCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210202 [2,0,0,0,0,0|2,0,0]=4 2391 B9R0.12 CCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210202 [2,0,0,0,0,0|2,0,0]=4 2392 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [2,0,0,0,0,0|1,0,0]=3 2393 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [2,0,0,0,0,0|1,0,0]=3 2394 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [2,0,0,0,0,0|1,0,0]=3 2395 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [2,0,0,0,0,0|1,0,0]=3 2396 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [2,0,0,0,0,0|1,0,0]=3 2397 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [2,0,0,0,0,0|2,0,0]=4 2398 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [2,0,0,0,0,0|2,0,0]=4 2399 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [2,0,0,0,0,0|2,0,0]=4 2400 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [2,0,0,0,0,0|2,0,0]=4 2401 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [2,0,0,0,0,0|1,0,0]=3 2402 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [2,0,0,0,0,0|1,0,0]=3 2403 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [2,0,0,0,0,0|2,0,0]=4 2404 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [2,0,0,0,0,0|2,0,0]=4 2405 B9R0.12 CCSC(OC)C(=O)OC 62a_100000101307_100000210202 [2,0,0,0,0,0|2,0,0]=4 2406 B9R0.12 CCSC(OC)C(=O)OC 62a_100000210202_100000101307 [2,0,0,0,0,0|2,0,0]=4 2407 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [2,0,0,0,0,0|2,0,0]=4 2408 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [2,0,0,0,0,0|2,0,0]=4 2409 B9R0.12 COCC(SC)C(=O)OC 62a_100000717350_200000210301 [2,0,0,0,0,0|2,0,0]=4 2410 B9R0.12 COCC(SC)C(=O)OC 62a_200000210301_100000717350 [2,0,0,0,0,0|2,0,0]=4 2411 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_100000717350_200025704644 [2,0,0,0,0,0|2,0,0]=4 2412 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_200025704644_100000717350 [2,0,0,0,0,0|2,0,0]=4 2413 B9R0.37 CC#CC(=O)C(CC)CC 1458a_100000763181_100000210505 [2,0,0,0,0,0|1,0,1]=4 2414 B9R0.37 CC=CC(=O)C(CC)CC 1458a_100000210699_100000210505 [2,0,0,0,0,0|1,0,1]=4 2415 B9R0.37 CCC(CC)C(=O)CCF 1458a_100000211163_100011217306 [2,0,0,0,0,0|2,0,0]=4 2416 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [2,0,0,0,0,0|2,0,0]=4 2417 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [2,0,0,0,0,0|2,0,0]=4 2418 B9R0.37 CCC(CC)C(=O)COC 1458a_100000210968_100000210505 [2,0,0,0,0,0|2,0,0]=4 2419 B9R0.37 CCC(CC)C(=O)CSC 1458a_100000184570_100000210505 [2,0,0,0,0,0|2,0,0]=4 2420 B9R0.37 CCC(CC)C(=O)NNC 22a_100016993582_100000211163 [2,0,0,0,0,0|2,0,0]=4 2421 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [2,0,0,0,0,0|1,0,0]=3 2422 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [2,0,0,0,0,0|1,0,0]=3 2423 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [2,0,0,0,0,0|2,0,0]=4 2424 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [2,0,0,0,0,0|2,0,0]=4 2425 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [2,0,0,0,0,0|2,0,0]=4 2426 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [2,0,0,0,0,0|2,0,0]=4 2427 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [2,0,0,0,0,0|2,0,0]=4 2428 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [2,0,0,0,0,0|1,0,0]=3 2429 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [2,0,0,0,0,0|1,0,0]=3 2430 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [2,0,0,0,0,0|1,0,0]=3 2431 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [2,0,0,0,0,0|2,0,0]=4 2432 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [2,0,0,0,0,0|2,0,0]=4 2433 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [2,0,0,0,0,0|2,0,0]=4 2434 B9R0.37 CCNC(=O)N(CC)CC 2708a_100015525214_100000724800 [2,0,0,0,0,0|2,0,0]=4 2435 B9R0.37 CCNC(=O)N(CC)CC 273464a_100015525214_100000724800 [2,0,0,0,0,0|2,0,0]=4 2436 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [2,0,0,0,0,0|1,0,0]=3 2437 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [2,0,0,0,0,0|1,0,0]=3 2438 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [2,0,0,0,0,0|1,0,0]=3 2439 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [2,0,0,0,0,0|1,0,0]=3 2440 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [2,0,0,0,0,0|1,0,0]=3 2441 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [2,0,0,0,0,0|1,0,0]=3 2442 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [2,0,0,0,0,0|1,0,0]=3 2443 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [2,0,0,0,0,0|1,0,0]=3 2444 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [2,0,0,0,0,0|1,0,0]=3 2445 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [2,0,0,0,0,0|1,0,0]=3 2446 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [2,0,0,0,0,0|1,0,0]=3 2447 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [2,0,0,0,0,0|1,0,0]=3 2448 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [2,0,0,0,0,0|2,0,0]=4 2449 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [2,0,0,0,0,0|2,0,0]=4 2450 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [2,0,0,0,0,0|2,0,0]=4 2451 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [2,0,0,0,0,0|2,0,0]=4 2452 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [2,0,0,0,0,0|2,0,0]=4 2453 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [2,0,0,0,0,0|2,0,0]=4 2454 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [2,0,0,0,0,0|0,0,0]=2 2455 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [2,0,0,0,0,0|0,0,0]=2 2456 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [2,0,0,0,0,0|0,0,0]=2 2457 B9R0.13 CCCCC(CC)N(C)C 269982a_100102631434_200011216223 [2,0,0,0,0,0|2,0,0]=4 2458 B9R0.13 CCCCC(CC)N(C)C 270004a_100102631434_100000753412 [2,0,0,0,0,0|2,0,0]=4 2459 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [2,0,0,0,0,0|2,0,0]=4 2460 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [2,0,0,0,0,0|2,0,0]=4 2461 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [2,0,0,0,0,0|2,0,0]=4 2462 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [2,0,0,0,0,0|2,0,0]=4 2463 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [2,0,0,0,0,0|2,0,0]=4 2464 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [2,0,0,0,0,0|2,0,0]=4 2465 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [2,0,0,0,0,0|2,0,0]=4 2466 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [2,0,0,0,0,0|2,0,0]=4 2467 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [2,0,0,0,0,0|1,0,0]=3 2468 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [2,0,0,0,0,0|1,0,0]=3 2469 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [2,0,0,0,0,0|1,0,0]=3 2470 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [2,0,0,0,0,0|1,0,0]=3 2471 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [2,0,0,0,0,0|2,0,0]=4 2472 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [2,0,0,0,0,0|2,0,0]=4 2473 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [2,0,0,0,0,0|2,0,0]=4 2474 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [2,0,0,0,0,0|2,0,0]=4 2475 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [2,0,0,0,0,0|2,0,0]=4 2476 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [2,0,0,0,0,0|2,0,0]=4 2477 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [2,0,0,0,0,0|2,0,0]=4 2478 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [2,0,0,0,0,0|1,0,0]=3 2479 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [2,0,0,0,0,0|2,0,0]=4 2480 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [2,0,0,0,0,0|2,0,0]=4 2481 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [2,0,0,0,0,0|2,0,0]=4 2482 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [2,0,0,0,0,0|2,0,0]=4 2483 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [2,0,0,0,0,0|2,0,0]=4 2484 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [2,0,0,0,0,0|2,0,0]=4 2485 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [2,0,0,0,0,0|2,0,0]=4 2486 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [2,0,0,0,0,0|2,0,0]=4 2487 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [2,0,0,0,0,0|2,0,0]=4 2488 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [2,0,0,0,0,0|2,0,0]=4 2489 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [2,0,0,0,0,0|2,0,0]=4 2490 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [2,0,0,0,0,0|2,0,0]=4 2491 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [2,0,0,0,0,0|2,0,0]=4 2492 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [2,0,0,0,0,0|2,0,0]=4 2493 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [2,0,0,0,0,0|2,0,0]=4 2494 B11R0.36 CCCCC(NCCC)C(C)C 270004a_100020643023_200011215219 [1,1,0,0,0,0|2,0,0]=4 2495 B11R0.36 CCCCN(COCC)C(C)C 269982a_100000207398_100000739092 [1,1,0,0,0,0|1,0,1]=4 2496 B11R0.152 C#CCOCC(CC)CCCC 34a_100000210247_100000211942 [1,1,0,0,0,0|0,0,2]=4 2497 B11R0.152 C#CCOCC(CC)CCCC 34a_100000210273_100000184674 [1,1,0,0,0,0|0,0,2]=4 2498 B11R0.152 C#CCOCC(CC)CCCC 7a_100000210273_100000038162 [1,1,0,0,0,0|0,0,2]=4 2499 B11R0.152 C=CCOCC(CC)CCCC 34a_100000210273_100015514636 [1,1,0,0,0,0|0,0,2]=4 2500 B11R0.152 C=CCOCC(CC)CCCC 34a_200000210373_100000211942 [1,1,0,0,0,0|0,0,2]=4 2501 B11R0.152 C=CCOCC(CC)CCCC 7a_100000210273_100015514636 [1,1,0,0,0,0|0,0,2]=4 2502 B11R0.152 CC/C=C\CN(CC)CCCC 2230a_100000207695_100103147603 [1,1,0,0,0,0|2,0,0]=4 2503 B11R0.152 CC/C=C\CN(CC)CCCC 269982a_100000207695_100103147603 [1,1,0,0,0,0|2,0,0]=4 2504 B11R0.152 CCC/C=C(\CC)/CNCCC 269862a_100020643023_100020616858 [1,1,0,0,0,0|1,0,1]=4 2505 B11R0.152 CCC/C=C(\CC)/COCCC 34a_200015372368_100000210303 [1,1,0,0,0,0|1,0,1]=4 2506 B11R0.152 CCC/C=C(\CC)/COCCC 7a_200015372368_100000210303 [1,1,0,0,0,0|1,0,1]=4 2507 B11R0.152 CCCCC(C=NNCC)CC 4a_100000756455_100011219736 [1,1,0,0,0,0|1,0,0]=3 2508 B11R0.152 CCCCC(CC)CNCCC 2230a_100000209976_100000210303 [1,1,0,0,0,0|1,0,1]=4 2509 B11R0.152 CCCCC(CC)CNCCC 269862a_100020643023_100011219736 [1,1,0,0,0,0|1,0,1]=4 2510 B11R0.152 CCCCC(CC)CNCCC 270004a_100020643023_100011219736 [1,1,0,0,0,0|1,0,1]=4 2511 B11R0.152 CCCCC(CC)CNCCF 2230a_100000209976_100011217306 [1,1,0,0,0,0|1,0,1]=4 2512 B11R0.152 CCCCC(CC)CNCCF 269862a_100000724931_100011219736 [1,1,0,0,0,0|1,0,1]=4 2513 B11R0.152 CCCCC(CC)CNCCF 34a_100000724931_100000211942 [1,1,0,0,0,0|1,0,1]=4 2514 B11R0.152 CCCCC(CC)CNCCO 2230a_100000209976_100000211926 [1,1,0,0,0,0|1,0,1]=4 2515 B11R0.152 CCCCC(CC)CNCCO 2230a_100016997473_100000211942 [1,1,0,0,0,0|1,0,1]=4 2516 B11R0.152 CCCCC(CC)CNCCO 269862a_100000210304_100011219736 [1,1,0,0,0,0|1,0,1]=4 2517 B11R0.152 CCCCC(CC)CNCCO 270004a_100000210304_100011219736 [1,1,0,0,0,0|1,0,1]=4 2518 B11R0.152 CCCCC(CC)CNCCO 34a_100016990907_100000211942 [1,1,0,0,0,0|1,0,1]=4 2519 B11R0.152 CCCCC(CC)CNCOC 2230a_100000209976_100000766300 [1,1,0,0,0,0|1,0,1]=4 2520 B11R0.152 CCCCC(CC)CNCSC 2230a_100000209976_100011218213 [1,1,0,0,0,0|1,0,1]=4 2521 B11R0.152 CCCCC(CC)COCC#N 7a_100000210273_100011215382 [1,1,0,0,0,0|0,0,2]=4 2522 B11R0.152 CCCCC(CC)COCC=O 34a_100000210273_200009817547 [1,1,0,0,0,0|0,0,2]=4 2523 B11R0.152 CCCCC(CC)COCC=O 7a_100000210273_200015260668 [1,1,0,0,0,0|0,0,2]=4 2524 B11R0.152 CCCCC(CC)COCCBr 34a_100000211926_100000211942 [1,1,0,0,0,0|0,0,1]=3 2525 B11R0.152 CCCCC(CC)COCCC 34a_100000210258_100000211942 [1,1,0,0,0,0|0,0,1]=3 2526 B11R0.152 CCCCC(CC)COCCC 34a_100000210273_100000210303 [1,1,0,0,0,0|0,0,1]=3 2527 B11R0.152 CCCCC(CC)COCCC 7a_100000210273_100000210303 [1,1,0,0,0,0|0,0,1]=3 2528 B11R0.152 CCCCC(CC)COCCF 34a_100000210273_100011217306 [1,1,0,0,0,0|0,0,1]=3 2529 B11R0.152 CCCCC(CC)COCCF 7a_100000210273_100011217306 [1,1,0,0,0,0|0,0,1]=3 2530 B11R0.152 CCCCC(CC)COCCN 34a_100000210304_100000211942 [1,1,0,0,0,0|0,0,1]=3 2531 B11R0.152 CCCCC(CC)COCCO 34a_100000210273_100000211926 [1,1,0,0,0,0|0,0,1]=3 2532 B11R0.152 CCCCC(CC)COCCO 7a_100000210273_100000211926 [1,1,0,0,0,0|0,0,1]=3 2533 B11R0.152 CCCCC(CC)COCSC 34a_100000210273_100011218213 [1,1,0,0,0,0|0,0,1]=3 2534 B11R0.152 CCCCC(CC)CSCCC 62a_100000210303_100000211942 [1,1,0,0,0,0|0,1,1]=4 2535 B11R0.152 CCCCC(CC)CSCCC 62a_100000211942_100000210303 [1,1,0,0,0,0|0,1,1]=4 2536 B11R0.152 CCCCC(CC)CSCCF 62a_100000211942_100011217306 [1,1,0,0,0,0|0,1,1]=4 2537 B11R0.152 CCCCC(CC)CSCCF 62a_100011217306_100000211942 [1,1,0,0,0,0|0,1,1]=4 2538 B11R0.152 CCCCC(CC)CSCCO 62a_100000211926_100000211942 [1,1,0,0,0,0|0,1,1]=4 2539 B11R0.152 CCCCC(CC)CSCCO 62a_100000211942_100000211926 [1,1,0,0,0,0|0,1,1]=4 2540 B11R0.152 CCCCC(CC)CSCOC 62a_100000211942_100000766300 [1,1,0,0,0,0|0,1,1]=4 2541 B11R0.152 CCCCC(CC)CSCOC 62a_100000766300_100000211942 [1,1,0,0,0,0|0,1,1]=4 2542 B11R0.152 CCCCC(CC)CSCSC 62a_100000211942_100011218213 [1,1,0,0,0,0|0,1,1]=4 2543 B11R0.152 CCCCC(CC)CSCSC 62a_100011218213_100000211942 [1,1,0,0,0,0|0,1,1]=4 2544 B11R0.152 CCCCC(CC)NCCCF 270004a_100015189416_100000753412 [1,1,0,0,0,0|2,0,0]=4 2545 B11R0.152 CCCCC(CC)NCCCF 34a_100015189416_200011216223 [1,1,0,0,0,0|2,0,0]=4 2546 B11R0.152 CCCCC(CC)NCCCO 270004a_100000182051_100000753412 [1,1,0,0,0,0|2,0,0]=4 2547 B11R0.152 CCCCC(CC)NCCOC 270004a_100000209980_100000753412 [1,1,0,0,0,0|2,0,0]=4 2548 B11R0.152 CCCCC(CC)NCCSC 270004a_100020590264_100000753412 [1,1,0,0,0,0|2,0,0]=4 2549 B11R0.152 CCCCC(CC)OCCCBr 34a_100011217188_200011216223 [1,1,0,0,0,0|2,0,0]=4 2550 B11R0.152 CCCCC(CC)OCCCCl 34a_100000230001_200011216223 [1,1,0,0,0,0|2,0,0]=4 2551 B11R0.152 CCCCC(CC)OCCCF 34a_100000759539_200011216223 [1,1,0,0,0,0|2,0,0]=4 2552 B11R0.152 CCCCC(CC)OCCCF 34a_100011215227_100011934791 [1,1,0,0,0,0|2,0,0]=4 2553 B11R0.152 CCCCC(CC)OCCCF 7a_100011215227_100011934791 [1,1,0,0,0,0|2,0,0]=4 2554 B11R0.152 CCCCC(CC)OCCCN 34a_100000182051_200011216223 [1,1,0,0,0,0|2,0,0]=4 2555 B11R0.152 CCCCC(CC)OCCCO 34a_100011215227_100000230001 [1,1,0,0,0,0|2,0,0]=4 2556 B11R0.152 CCCCC(CC)OCCCO 7a_100011215227_100011215043 [1,1,0,0,0,0|2,0,0]=4 2557 B11R0.152 CCCCC(CC)OCCOC 34a_100000210237_200011216223 [1,1,0,0,0,0|2,0,0]=4 2558 B11R0.152 CCCCC(CC)OCCOC 34a_100011215227_100011201679 [1,1,0,0,0,0|2,0,0]=4 2559 B11R0.152 CCCCC(CC)OCCOC 7a_100011215227_100000233755 [1,1,0,0,0,0|2,0,0]=4 2560 B11R0.152 CCCCC(CC)OCCSC 34a_100000230434_200011216223 [1,1,0,0,0,0|2,0,0]=4 2561 B11R0.152 CCCCC(CC)OCCSC 34a_100011215227_100000212216 [1,1,0,0,0,0|2,0,0]=4 2562 B11R0.152 CCCCC(CC)OCCSC 7a_100000230434_200011216223 [1,1,0,0,0,0|2,0,0]=4 2563 B11R0.152 CCCCC(CC)OCCSC 7a_100011215227_100000212216 [1,1,0,0,0,0|2,0,0]=4 2564 B11R0.152 CCCCC(CC)SCCCF 62a_100011934791_200011216223 [1,1,0,0,0,0|2,0,0]=4 2565 B11R0.152 CCCCC(CC)SCCCF 62a_200011216223_100011934791 [1,1,0,0,0,0|2,0,0]=4 2566 B11R0.152 CCCCC(CC)SCCCO 62a_100011215043_200011216223 [1,1,0,0,0,0|2,0,0]=4 2567 B11R0.152 CCCCC(CC)SCCCO 62a_200011216223_100011215043 [1,1,0,0,0,0|2,0,0]=4 2568 B11R0.152 CCCCC(CC)SCCOC 62a_100000233755_200011216223 [1,1,0,0,0,0|2,0,0]=4 2569 B11R0.152 CCCCC(CC)SCCOC 62a_200011216223_100000233755 [1,1,0,0,0,0|2,0,0]=4 2570 B11R0.152 CCCCC(CC)SCCSC 62a_100000212216_200011216223 [1,1,0,0,0,0|2,0,0]=4 2571 B11R0.152 CCCCC(CC)SCCSC 62a_200011216223_100000751147 [1,1,0,0,0,0|2,0,0]=4 2572 B11R0.152 CCCCC(CC)SCOCC 62a_100000739092_200011216223 [1,1,0,0,0,0|0,0,1]=3 2573 B11R0.152 CCCCC(CC)SCOCC 62a_200011216223_100000739092 [1,1,0,0,0,0|0,0,1]=3 2574 B11R0.152 CCCCCC(CC)NCCC 270004a_100020643023_100011215316 [1,1,0,0,0,0|2,0,0]=4 2575 B11R0.152 CCCCCC(CC)OCCC 34a_100011215405_100000210303 [1,1,0,0,0,0|2,0,0]=4 2576 B11R0.152 CCCCCC(CC)OCCC 7a_100011215405_100000210303 [1,1,0,0,0,0|2,0,0]=4 2577 B11R0.152 CCCCN(CC)CCOCC 2230a_100000207695_100011215890 [1,1,0,0,0,0|1,0,1]=4 2578 B11R0.152 CCCCN(CC)CCOCC 269982a_100000207695_100011215890 [1,1,0,0,0,0|1,0,1]=4 2579 B11R0.152 CCCCNC(CC)CCCC 270004a_100000102301_100000753412 [1,1,0,0,0,0|1,0,1]=4 2580 B11R0.152 CCCCNC(CC)CCCC 7a_106832991798_200011216223 [1,1,0,0,0,0|1,0,1]=4 2581 B11R0.152 CCCCOC(CC)CCCC 34a_100000210227_200011216223 [1,1,0,0,0,0|1,0,1]=4 2582 B11R0.152 CCCCOC(CC)CCCC 34a_100011215227_100000210210 [1,1,0,0,0,0|1,0,1]=4 2583 B11R0.152 CCCCOC(CC)CCCC 7a_100000210227_200011216223 [1,1,0,0,0,0|1,0,1]=4 2584 B11R0.152 CCCCOC(CC)CCCC 7a_100011215227_100000210211 [1,1,0,0,0,0|1,0,1]=4 2585 B11R0.152 CCCCOC(CN)COCC 34a_102515437182_100000210210 [1,1,0,0,0,0|1,0,1]=4 2586 B11R0.152 CCCCSC(CC)CCCC 62a_100000210211_200011216223 [1,1,0,0,0,0|1,0,1]=4 2587 B11R0.152 CCCCSC(CC)CCCC 62a_200011216223_100000210210 [1,1,0,0,0,0|1,0,1]=4 2588 B11R0.152 CCOCN(CC)CCCCO 269982a_100011217355_100000739092 [1,1,0,0,0,0|1,0,1]=4 2589 B11R0.158 CCCCC(CCC)OCCC 34a_100000210258_100000211913 [1,1,0,0,0,0|2,0,0]=4 2590 B11R0.158 CCCCC(CCC)OCCC 34a_100011215800_100000210303 [1,1,0,0,0,0|2,0,0]=4 2591 B11R0.158 CCCCC(CCC)OCCC 7a_100011215800_100000210303 [1,1,0,0,0,0|2,0,0]=4 2592 B11R0.158 CCCCC(CCC)SCCC 62a_100000210303_100000211913 [1,1,0,0,0,0|2,0,0]=4 2593 B11R0.158 CCCCC(CCC)SCCC 62a_100000211913_100000210303 [1,1,0,0,0,0|2,0,0]=4 2594 B11R0.158 CCCCC(CCCC)NCC 2230a_200011995792_100000210202 [1,1,0,0,0,0|1,0,1]=4 2595 B11R0.158 CCCCC(CCCC)NCC 270004a_100015525214_100011218081 [1,1,0,0,0,0|1,0,1]=4 2596 B11R0.158 CCCCC(CCCC)NCC 34a_200011995792_100000210202 [1,1,0,0,0,0|1,0,1]=4 2597 B11R0.158 CCCCC(CCCC)OCC 34a_200011215786_100000210202 [1,1,0,0,0,0|1,0,1]=4 2598 B11R0.158 CCCCC(CCCC)OCC 7a_200011215786_100000210202 [1,1,0,0,0,0|1,0,1]=4 2599 B11R0.158 CCCCN(CCC)COCC 269982a_200000207744_100000739092 [1,1,0,0,0,0|1,0,1]=4 2600 B11R0.158 CCCCN(CCO)COCC 269982a_100000198060_100000739092 [1,1,0,0,0,0|1,0,1]=4 2601 B11R0.158 CCOCC(COCC)OCC 34a_100000758971_100000210202 [1,1,0,0,0,0|1,0,1]=4 2602 B11R0.158 CCOCC(COCC)OCC 7a_100000758971_100000210202 [1,1,0,0,0,0|1,0,1]=4 2603 B11R0.164 CCCCC(CC)CNC(C)C 2230a_100000209976_100000210206 [1,1,0,0,0,0|1,0,1]=4 2604 B11R0.164 CCCCC(CC)CNC(C)C 2230a_100138425928_100000211942 [1,1,0,0,0,0|1,0,1]=4 2605 B11R0.164 CCCCC(CC)CNC(C)C 34a_100138425928_100000211942 [1,1,0,0,0,0|1,0,1]=4 2606 B11R0.164 CCCCC(CC)COC(C)C 34a_100000210273_100000210206 [1,1,0,0,0,0|0,0,1]=3 2607 B11R0.164 CCCCC(CC)COC(C)C 34a_100000212225_100000211942 [1,1,0,0,0,0|0,0,1]=3 2608 B11R0.164 CCCCC(CC)COC(C)C 7a_100000210273_100000210206 [1,1,0,0,0,0|0,0,1]=3 2609 B11R0.164 CCCCC(CC)CSC(C)C 62a_100000210206_100000211942 [1,1,0,0,0,0|0,1,1]=4 2610 B11R0.164 CCCCC(CC)CSC(C)C 62a_100000211942_100000210206 [1,1,0,0,0,0|0,1,1]=4 2611 B11R0.164 CCCCC(CC)NCC(C)C 270004a_100000210953_100000753412 [1,1,0,0,0,0|2,0,0]=4 2612 B11R0.164 CCCCC(CC)NCC(C)C 34a_100000210953_200011216223 [1,1,0,0,0,0|2,0,0]=4 2613 B11R0.164 CCCCC(CC)NCC(C)O 270004a_100000210904_100000753412 [1,1,0,0,0,0|2,0,0]=4 2614 B11R0.164 CCCCC(CC)NCC(C)O 34a_100000210904_200011216223 [1,1,0,0,0,0|2,0,0]=4 2615 B11R0.164 CCCCC(CC)OCC(C)Br 34a_100012180447_200011216223 [1,1,0,0,0,0|2,0,0]=4 2616 B11R0.164 CCCCC(CC)OCC(C)C 34a_100000210257_200011216223 [1,1,0,0,0,0|2,0,0]=4 2617 B11R0.164 CCCCC(CC)OCC(C)C 34a_100011215227_100000210624 [1,1,0,0,0,0|2,0,0]=4 2618 B11R0.164 CCCCC(CC)OCC(C)C 7a_100011215227_100000210760 [1,1,0,0,0,0|2,0,0]=4 2619 B11R0.164 CCCCC(CC)OCC(C)F 34a_100015925927_200011216223 [1,1,0,0,0,0|2,0,0]=4 2620 B11R0.164 CCCCC(CC)OCC(C)O 34a_100011215227_100011218427 [1,1,0,0,0,0|2,0,0]=4 2621 B11R0.164 CCCCC(CC)OCC(C)O 7a_100011215227_100011218427 [1,1,0,0,0,0|2,0,0]=4 2622 B11R0.164 CCCCC(CC)OC[C@@H](C)Cl 34a_100016084084_200011216223 [1,1,0,0,0,0|2,0,0]=4 2623 B11R0.164 CCCCC(CC)OC[C@@H](C)N 34a_100000737577_200011216223 [1,1,0,0,0,0|2,0,0]=4 2624 B11R0.164 CCCCC(CC)OC[C@@H](C)O 34a_100011215227_100009817552 [1,1,0,0,0,0|2,0,0]=4 2625 B11R0.164 CCCCC(CC)OC[C@@H](C)O 7a_100011215227_100009817552 [1,1,0,0,0,0|2,0,0]=4 2626 B11R0.164 CCCCC(CC)SCC(C)C 62a_100000210624_200011216223 [1,1,0,0,0,0|2,0,0]=4 2627 B11R0.164 CCCCC(CC)SCC(C)C 62a_200011216223_100000210760 [1,1,0,0,0,0|2,0,0]=4 2628 B11R0.164 CCCCC(CC)SCC(C)O 62a_100011218427_200011216223 [1,1,0,0,0,0|2,0,0]=4 2629 B11R0.164 CCCCC(CC)SCC(C)O 62a_200011216223_100011218427 [1,1,0,0,0,0|2,0,0]=4 2630 B11R0.164 CCCCC(CC)SC[C@@H](C)O 62a_100009817552_200011216223 [1,1,0,0,0,0|2,0,0]=4 2631 B11R0.164 CCCCC(CC)SC[C@@H](C)O 62a_200011216223_100009817552 [1,1,0,0,0,0|2,0,0]=4 2632 B11R0.164 CCCCN(CC)COC(C)C 2230a_100000207695_100000709892 [1,1,0,0,0,0|1,0,1]=4 2633 B11R0.164 CCCCN(CC)COC(C)C 269982a_100000207695_100000709892 [1,1,0,0,0,0|1,0,1]=4 2634 B11R0.164 CCCOC(CC)CCC(C)C 34a_100011216567_100000210303 [1,1,0,0,0,0|2,0,0]=4 2635 B11R0.164 CCCOC(CC)CCC(C)C 7a_100011216567_100000210303 [1,1,0,0,0,0|2,0,0]=4 2636 B11R0.164 CCOCN(CC)CCC(C)C 269982a_100000207693_100000739092 [1,1,0,0,0,0|1,0,1]=4 2637 B11R0.166 CCCCC(CC)CC(=O)CC 1458a_100000210414_100000211942 [1,1,0,0,0,0|1,0,1]=4 2638 B11R0.166 CCCCC(CC)CN(C)CC 2230a_100000225621_100000211942 [1,1,0,0,0,0|1,0,1]=4 2639 B11R0.166 CCCCC(CC)CN(C)CC 269982a_100000225621_100000211942 [1,1,0,0,0,0|1,0,1]=4 2640 B11R0.166 CCCCC(CC)NC(C)CC 270004a_100000209981_100000753412 [1,1,0,0,0,0|2,0,0]=4 2641 B11R0.166 CCCCC(CC)OC(C)CC 34a_100011215227_100011215416 [1,1,0,0,0,0|2,0,0]=4 2642 B11R0.166 CCCCC(CC)OC(C)CC 7a_100000210228_200011216223 [1,1,0,0,0,0|2,0,0]=4 2643 B11R0.166 CCCCC(CC)OC(C)CC 7a_100011215227_100000758301 [1,1,0,0,0,0|2,0,0]=4 2644 B11R0.166 CCCCC(CC)SC(C)CC 62a_100000758301_200011216223 [1,1,0,0,0,0|2,0,0]=4 2645 B11R0.166 CCCCC(CC)SC(C)CC 62a_200011216223_100000758301 [1,1,0,0,0,0|2,0,0]=4 2646 B11R0.166 CCCNC(CC)CC(C)CC 270004a_100020643023_100000184709 [1,1,0,0,0,0|2,0,0]=4 2647 B11R0.166 CCCOC(CC)CC(C)CC 7a_200011216566_100000210303 [1,1,0,0,0,0|2,0,0]=4 2648 B11R0.166 CCOCN(CC)CC(O)CC 269982a_100011365200_100000739092 [1,1,0,0,0,0|1,0,1]=4 2649 B11R0.372 CCCCC(C)(CC)OCCC 7a_200011218725_100000210303 [1,1,0,0,0,0|2,0,0]=4 2650 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000692101_200011215066 [1,1,0,0,0,0|1,0,1]=4 2651 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000725509_100000753159 [1,1,0,0,0,0|1,0,1]=4 2652 B11R0.11 C#CCNC(=O)C(C)CCCC 11a_100000212058_100000725509 [1,1,0,0,0,0|1,0,1]=4 2653 B11R0.11 C#CCNC(=O)C(C)CCCC 1626a_100000212058_100000725509 [1,1,0,0,0,0|1,0,1]=4 2654 B11R0.11 C#CCNC(=O)C(C)CCCC 240690a_100000212058_100000725509 [1,1,0,0,0,0|1,0,1]=4 2655 B11R0.11 C#CCNC(=O)C(C)CCCC 527a_100000212058_100000725509 [1,1,0,0,0,0|1,0,1]=4 2656 B11R0.11 C/C=C/CC(=O)C(C)CCCC 1458a_100000725509_100102629194 [1,1,0,0,0,0|1,0,1]=4 2657 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000725509_100000754431 [1,1,0,0,0,0|1,0,1]=4 2658 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000749702_200011215066 [1,1,0,0,0,0|1,0,1]=4 2659 B11R0.11 C=CCNC(=O)C(C)CCCC 1626a_100020586998_100000725509 [1,1,0,0,0,0|1,0,1]=4 2660 B11R0.11 C=CCNC(=O)C(C)CCCC 240690a_100020586998_100000725509 [1,1,0,0,0,0|1,0,1]=4 2661 B11R0.11 C=CCNC(=O)C(C)CCCC 527a_100020586998_100000725509 [1,1,0,0,0,0|1,0,1]=4 2662 B11R0.11 CC#CCC(=O)C(C)CCCC 1458a_100000725509_100000748600 [1,1,0,0,0,0|1,0,1]=4 2663 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100000725509_100000070051 [1,1,0,0,0,0|1,0,1]=4 2664 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100121576822_200011215066 [1,1,0,0,0,0|1,0,1]=4 2665 B11R0.11 CCC#CC(=O)C(C)CCCC 1458a_100011827653_200011215066 [1,1,0,0,0,0|1,0,0]=3 2666 B11R0.11 CCC=CC(=O)C(C)CCCC 1458a_100000212282_200011215066 [1,1,0,0,0,0|1,0,0]=3 2667 B11R0.11 CCC=CC(=O)N(C)CCCC 11a_100000207549_100000212282 [1,1,0,0,0,0|2,0,0]=4 2668 B11R0.11 CCC=CC(=O)N(C)CCCC 1626a_100000207549_100000212282 [1,1,0,0,0,0|2,0,0]=4 2669 B11R0.11 CCC=CC(=O)N(C)CCCC 240690a_100000207549_100000212282 [1,1,0,0,0,0|2,0,0]=4 2670 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [1,1,0,0,0,0|1,0,0]=3 2671 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [1,1,0,0,0,0|1,0,0]=3 2672 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [1,1,0,0,0,0|2,0,0]=4 2673 B11R0.11 CCCCC(=O)N(C)CCCC 11a_100000207549_100000210183 [1,1,0,0,0,0|2,0,0]=4 2674 B11R0.11 CCCCC(=O)N(C)CCCC 1626a_100000207549_100000210183 [1,1,0,0,0,0|2,0,0]=4 2675 B11R0.11 CCCCC(=O)N(C)CCCC 240690a_100000207549_100000210183 [1,1,0,0,0,0|2,0,0]=4 2676 B11R0.11 CCCCC(=O)N(C)CCCC 527a_100000207549_100000210183 [1,1,0,0,0,0|2,0,0]=4 2677 B11R0.11 CCCCC(C)C(=O)C#CCO 1458a_100000049017_200011215066 [1,1,0,0,0,0|1,0,1]=4 2678 B11R0.11 CCCCC(C)C(=O)C=COC 1458a_100016268678_200011215066 [1,1,0,0,0,0|1,0,1]=4 2679 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100000725509_100011215226 [1,1,0,0,0,0|1,0,1]=4 2680 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100011934036_200011215066 [1,1,0,0,0,0|1,0,1]=4 2681 B11R0.11 CCCCC(C)C(=O)CCCF 1458a_100000725509_100011934791 [1,1,0,0,0,0|1,0,0]=3 2682 B11R0.11 CCCCC(C)C(=O)CCCO 1458a_100000725509_100011215043 [1,1,0,0,0,0|1,0,0]=3 2683 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000725509_100000233755 [1,1,0,0,0,0|1,0,0]=3 2684 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000749529_200011215066 [1,1,0,0,0,0|1,0,0]=3 2685 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000174002_200011215066 [1,1,0,0,0,0|1,0,0]=3 2686 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000725509_100000751147 [1,1,0,0,0,0|1,0,0]=3 2687 B11R0.11 CCCCC(C)C(=O)COCC 1458a_100000211967_200011215066 [1,1,0,0,0,0|0,0,0]=2 2688 B11R0.11 CCCCC(C)C(=O)CSCC 1458a_100000230394_200011215066 [1,1,0,0,0,0|0,1,0]=3 2689 B11R0.11 CCCCC(C)C(=O)NCC#N 1626a_100000734998_100000725509 [1,1,0,0,0,0|1,0,1]=4 2690 B11R0.11 CCCCC(C)C(=O)NCC#N 527a_100000734998_100000725509 [1,1,0,0,0,0|1,0,1]=4 2691 B11R0.11 CCCCC(C)C(=O)NCCC 11a_100020643023_100000725509 [1,1,0,0,0,0|1,0,0]=3 2692 B11R0.11 CCCCC(C)C(=O)NCCC 1626a_100020643023_100000725509 [1,1,0,0,0,0|1,0,0]=3 2693 B11R0.11 CCCCC(C)C(=O)NCCC 240690a_100020643023_100000725509 [1,1,0,0,0,0|1,0,0]=3 2694 B11R0.11 CCCCC(C)C(=O)NCCC 527a_100020643023_100000725509 [1,1,0,0,0,0|1,0,0]=3 2695 B11R0.11 CCCCC(C)C(=O)NCCF 11a_100000724931_100000725509 [1,1,0,0,0,0|1,0,0]=3 2696 B11R0.11 CCCCC(C)C(=O)NCCF 1626a_100000724931_100000725509 [1,1,0,0,0,0|1,0,0]=3 2697 B11R0.11 CCCCC(C)C(=O)NCCF 240690a_100000724931_100000725509 [1,1,0,0,0,0|1,0,0]=3 2698 B11R0.11 CCCCC(C)C(=O)NCCF 527a_100000724931_100000725509 [1,1,0,0,0,0|1,0,0]=3 2699 B11R0.11 CCCCC(C)C(=O)NCCO 240690a_100000210304_100000725509 [1,1,0,0,0,0|1,0,0]=3 2700 B11R0.11 CCCCC(C)C(=O)NCCO 527a_100000210304_100000725509 [1,1,0,0,0,0|1,0,0]=3 2701 B11R0.11 CCCCC(C)C(=O)NNCC 22a_100000756455_100000725509 [1,1,0,0,0,0|1,0,0]=3 2702 B11R0.11 CCCCC(O)C(=O)CCCF 1458a_100000720857_100011934791 [1,1,0,0,0,0|2,0,0]=4 2703 B11R0.11 CCCCC(O)C(=O)CCCO 1458a_100000720857_100011215043 [1,1,0,0,0,0|2,0,0]=4 2704 B11R0.11 CCCCC(O)C(=O)CCOC 1458a_100000720857_100000233755 [1,1,0,0,0,0|2,0,0]=4 2705 B11R0.11 CCCCC(O)C(=O)CCSC 1458a_100000720857_100000751147 [1,1,0,0,0,0|2,0,0]=4 2706 B11R0.11 CCCCC(O)C(=O)NCCC 240690a_100020643023_100000720857 [1,1,0,0,0,0|2,0,0]=4 2707 B11R0.11 CCCCC(O)C(=O)NCCC 527a_100020643023_100000720857 [1,1,0,0,0,0|2,0,0]=4 2708 B11R0.11 CCCCC(O)C(=O)NCCF 240690a_100000724931_100000720857 [1,1,0,0,0,0|2,0,0]=4 2709 B11R0.11 CCCCC(O)C(=O)NCCF 527a_100000724931_100000720857 [1,1,0,0,0,0|2,0,0]=4 2710 B11R0.11 CCCCC(O)C(=O)NCCO 240690a_100000210304_100000720857 [1,1,0,0,0,0|2,0,0]=4 2711 B11R0.11 CCCCC(O)C(=O)NCCO 527a_100000210304_100000720857 [1,1,0,0,0,0|2,0,0]=4 2712 B11R0.11 CCCCC(O)C(=O)NNCC 22a_100000756455_100000720857 [1,1,0,0,0,0|2,0,0]=4 2713 B11R0.11 CCCCN(C)C(=O)CCOC 11a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 2714 B11R0.11 CCCCN(C)C(=O)CCOC 1626a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 2715 B11R0.11 CCCCN(C)C(=O)CCOC 240690a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 2716 B11R0.11 CCCCN(C)C(=O)CCOC 527a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 2717 B11R0.11 CCCCN(C)C(=O)CCSC 11a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 2718 B11R0.11 CCCCN(C)C(=O)CCSC 1626a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 2719 B11R0.11 CCCCN(C)C(=O)CCSC 240690a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 2720 B11R0.11 CCCCN(C)C(=O)CCSC 527a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 2721 B11R0.11 CCCCN(C)C(=O)CNCC 2230a_100015525214_100000230175 [1,1,0,0,0,0|2,0,0]=4 2722 B11R0.11 CCCCN(C)C(=O)COCC 11a_100000207549_100000211967 [1,1,0,0,0,0|1,0,0]=3 2723 B11R0.11 CCCCN(C)C(=O)COCC 1626a_100000207549_100000211967 [1,1,0,0,0,0|1,0,0]=3 2724 B11R0.11 CCCCN(C)C(=O)COCC 240690a_100000207549_100000211967 [1,1,0,0,0,0|1,0,0]=3 2725 B11R0.11 CCCCN(C)C(=O)COCC 34a_100121572206_100000230175 [1,1,0,0,0,0|1,0,0]=3 2726 B11R0.11 CCCCN(C)C(=O)COCC 527a_100000207549_100000211967 [1,1,0,0,0,0|1,0,0]=3 2727 B11R0.11 CCCCN(C)C(=O)CSCC 11a_100000207549_100000230394 [1,1,0,0,0,0|1,1,0]=4 2728 B11R0.11 CCCCN(C)C(=O)CSCC 1626a_100000207549_100000230394 [1,1,0,0,0,0|1,1,0]=4 2729 B11R0.11 CCCCN(C)C(=O)CSCC 240690a_100000207549_100000230394 [1,1,0,0,0,0|1,1,0]=4 2730 B11R0.11 CCCCN(C)C(=O)CSCC 527a_100000207549_100000230394 [1,1,0,0,0,0|1,1,0]=4 2731 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000210202_100000230175 [1,1,0,0,0,0|1,1,0]=4 2732 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000230175_100000210202 [1,1,0,0,0,0|1,1,0]=4 2733 B11R0.11 CCCCN(C)C(=O)NCCC 2708a_100020643023_100000207549 [1,1,0,0,0,0|2,0,0]=4 2734 B11R0.11 CCCCN(C)C(=O)NCCC 273464a_100020643023_100000207549 [1,1,0,0,0,0|2,0,0]=4 2735 B11R0.11 CCCCN(C)C(=O)NCCF 273464a_100000724931_100000207549 [1,1,0,0,0,0|2,0,0]=4 2736 B11R0.11 CCCCN(C)C(=O)NCCO 273464a_100000210304_100000207549 [1,1,0,0,0,0|2,0,0]=4 2737 B11R0.11 CCCNC(=O)C(C)NCCC 2230a_100025744714_100000210303 [1,1,0,0,0,0|2,0,0]=4 2738 B11R0.11 CCCNC(=O)C(C)NCCC 34a_100025744714_100000210303 [1,1,0,0,0,0|2,0,0]=4 2739 B11R0.11 CCCNC(=O)C(C)OCCC 34a_100000210258_100000230305 [1,1,0,0,0,0|2,0,0]=4 2740 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000210303_100000230305 [1,1,0,0,0,0|2,0,0]=4 2741 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000230305_100000210303 [1,1,0,0,0,0|2,0,0]=4 2742 B11R0.11 CCCOC(=O)C(C)NCCF 34a_100000724931_100000760410 [1,1,0,0,0,0|2,0,0]=4 2743 B11R0.11 CCCOC(=O)C(C)NCCO 2230a_100016997473_100000760410 [1,1,0,0,0,0|2,0,0]=4 2744 B11R0.11 CCCOC(=O)C(C)NCCO 34a_100016990907_100000760410 [1,1,0,0,0,0|2,0,0]=4 2745 B11R0.11 CCCOC(=O)C(C)OCCBr 34a_100000211926_100000760410 [1,1,0,0,0,0|2,0,0]=4 2746 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000037348_100000210303 [1,1,0,0,0,0|1,0,0]=3 2747 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000210258_100000760410 [1,1,0,0,0,0|1,0,0]=3 2748 B11R0.11 CCCOC(=O)C(C)OCCC 7a_100000037348_100000210303 [1,1,0,0,0,0|1,0,0]=3 2749 B11R0.11 CCCOC(=O)C(C)OCCF 34a_100000037348_100011217306 [1,1,0,0,0,0|2,0,0]=4 2750 B11R0.11 CCCOC(=O)C(C)OCCF 7a_100000037348_100011217306 [1,1,0,0,0,0|2,0,0]=4 2751 B11R0.11 CCCOC(=O)C(C)OCCN 34a_100000210304_100000760410 [1,1,0,0,0,0|2,0,0]=4 2752 B11R0.11 CCCOC(=O)C(C)OCCO 34a_100000037348_100000211926 [1,1,0,0,0,0|2,0,0]=4 2753 B11R0.11 CCCOC(=O)C(C)OCCO 7a_100000037348_100000211926 [1,1,0,0,0,0|2,0,0]=4 2754 B11R0.11 CCCOC(=O)C(C)OCSC 34a_100000037348_100011218213 [1,1,0,0,0,0|2,0,0]=4 2755 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000210303_100000760410 [1,1,0,0,0,0|1,0,0]=3 2756 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000760410_100000210303 [1,1,0,0,0,0|1,0,0]=3 2757 B11R0.11 CCCOC(=O)C(C)SCCF 62a_100000760410_100011217306 [1,1,0,0,0,0|2,0,0]=4 2758 B11R0.11 CCCOC(=O)C(C)SCCF 62a_100011217306_100000760410 [1,1,0,0,0,0|2,0,0]=4 2759 B11R0.11 CCCOC(=O)C(C)SCCO 62a_100000211926_100000760410 [1,1,0,0,0,0|2,0,0]=4 2760 B11R0.11 CCCOC(=O)C(C)SCCO 62a_100000760410_100000211926 [1,1,0,0,0,0|2,0,0]=4 2761 B11R0.11 CCCOC(=O)C(C)SCOC 62a_100000760410_100000766300 [1,1,0,0,0,0|2,0,0]=4 2762 B11R0.11 CCCOC(=O)C(C)SCOC 62a_100000766300_100000760410 [1,1,0,0,0,0|2,0,0]=4 2763 B11R0.11 CCCOC(=O)C(C)SCSC 62a_100000760410_100011218213 [1,1,0,0,0,0|2,0,0]=4 2764 B11R0.11 CCCOC(=O)C(C)SCSC 62a_100011218213_100000760410 [1,1,0,0,0,0|2,0,0]=4 2765 B11R0.11 CCOCC(=O)N(C)CCCO 240690a_100000213112_100000211967 [1,1,0,0,0,0|2,0,0]=4 2766 B11R0.11 CCOCC(=O)N(C)CCCO 527a_100000213112_100000211967 [1,1,0,0,0,0|2,0,0]=4 2767 B11R0.11 CCOCC(=O)N(C)CCOC 11a_100000743101_100000211967 [1,1,0,0,0,0|2,0,0]=4 2768 B11R0.11 CCOCC(=O)N(C)CCOC 1626a_100000743101_100000211967 [1,1,0,0,0,0|2,0,0]=4 2769 B11R0.11 CCOCC(=O)N(C)CCOC 240690a_100000743101_100000211967 [1,1,0,0,0,0|2,0,0]=4 2770 B11R0.11 CCOCC(=O)N(C)CCOC 527a_100000743101_100000211967 [1,1,0,0,0,0|2,0,0]=4 2771 B11R0.11 CCOCC(=O)N(C)CCSC 11a_100000686725_100000211967 [1,1,0,0,0,0|2,0,0]=4 2772 B11R0.11 CCOCC(=O)N(C)CCSC 1626a_100000686725_100000211967 [1,1,0,0,0,0|2,0,0]=4 2773 B11R0.11 CCOCC(=O)N(C)CCSC 240690a_100000686725_100000211967 [1,1,0,0,0,0|2,0,0]=4 2774 B11R0.11 CCOCC(=O)N(C)CCSC 527a_100000686725_100000211967 [1,1,0,0,0,0|2,0,0]=4 2775 B11R0.43 CCCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210303 [1,1,0,0,0,0|2,0,0]=4 2776 B11R0.43 CCCC(=O)N(C)CC(C)CC 11a_100000753921_100000211992 [1,1,0,0,0,0|2,0,0]=4 2777 B11R0.43 CCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000211992 [1,1,0,0,0,0|2,0,0]=4 2778 B11R0.43 CCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000211992 [1,1,0,0,0,0|2,0,0]=4 2779 B11R0.43 CCCC(=O)N(C)CC(C)CC 527a_100000753921_100000211992 [1,1,0,0,0,0|2,0,0]=4 2780 B11R0.43 CCNC(=O)C(C)CN(C)CC 11a_100015525214_200015185930 [1,1,0,0,0,0|2,0,0]=4 2781 B11R0.43 CCNC(=O)C(C)CN(C)CC 240690a_100015525214_200015185930 [1,1,0,0,0,0|2,0,0]=4 2782 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000209981_100000230173 [1,1,0,0,0,0|2,0,0]=4 2783 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000736553_100000758301 [1,1,0,0,0,0|2,0,0]=4 2784 B11R0.43 CCNC(=O)C(C)NC(C)CC 34a_100000736553_100011215416 [1,1,0,0,0,0|2,0,0]=4 2785 B11R0.43 CCNC(=O)C(C)OC(C)CC 7a_100000210228_100000230173 [1,1,0,0,0,0|2,0,0]=4 2786 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000230173_100000758301 [1,1,0,0,0,0|2,0,0]=4 2787 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000758301_100000230173 [1,1,0,0,0,0|2,0,0]=4 2788 B11R0.43 CCNC(=O)N(C)CC(C)CC 2708a_100015525214_100000753921 [1,1,0,0,0,0|2,0,0]=4 2789 B11R0.43 CCNC(=O)N(C)CC(C)CC 273464a_100015525214_100000753921 [1,1,0,0,0,0|2,0,0]=4 2790 B11R0.43 CCOC(=O)C(C)NC(C)CC 2230a_100000209981_100011215307 [1,1,0,0,0,0|1,0,0]=3 2791 B11R0.43 CCOC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100011215307 [1,1,0,0,0,0|2,0,0]=4 2792 B11R0.43 CCOC(=O)C(C)OC(C)CC 7a_100000210228_100011216346 [1,1,0,0,0,0|1,0,0]=3 2793 B11R0.43 CCOC(=O)C(C)OC(C)CF 34a_100016041109_100011216346 [1,1,0,0,0,0|2,0,0]=4 2794 B11R0.43 CCOC(=O)C(C)OC(C)CF 7a_100016041109_100011216346 [1,1,0,0,0,0|2,0,0]=4 2795 B11R0.43 CCOC(=O)C(C)OC(C)CN 34a_100000210904_100011216346 [1,1,0,0,0,0|2,0,0]=4 2796 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100000758301_100011216346 [1,1,0,0,0,0|1,0,0]=3 2797 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100011216346_100000758301 [1,1,0,0,0,0|1,0,0]=3 2798 B11R0.43 CCOC(=O)C(C)SC(C)CO 62a_100012180447_100011216346 [1,1,0,0,0,0|2,0,0]=4 2799 B11R0.43 CCOC(=O)C(C)SC(C)OC 62a_100009879195_100011216346 [1,1,0,0,0,0|2,0,0]=4 2800 B11R0.43 CCOC(=O)C(C)SC(C)OC 62a_100011216346_100009879195 [1,1,0,0,0,0|2,0,0]=4 2801 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100011216346_100016084084 [1,1,0,0,0,0|2,0,0]=4 2802 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100016084084_100011216346 [1,1,0,0,0,0|2,0,0]=4 2803 B11R0.43 CCOC(=O)C(F)NC(C)CC 2230a_100000209981_100000760018 [1,1,0,0,0,0|2,0,0]=4 2804 B11R0.43 CCOC(=O)C(F)OC(C)CC 7a_100000210228_100000040065 [1,1,0,0,0,0|2,0,0]=4 2805 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000758301_100000760018 [1,1,0,0,0,0|2,0,0]=4 2806 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000760018_100000758301 [1,1,0,0,0,0|2,0,0]=4 2807 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CC 188690a_100016988386_100000210414 [1,1,0,0,0,0|1,0,1]=4 2808 B11R0.43 CCOC(=O)[C@H](C)OC(C)CC 7a_100000751109_100000758301 [1,1,0,0,0,0|1,0,0]=3 2809 B11R0.43 CCOC(=O)[C@H](C)OC(C)CO 7a_100000751109_100012180447 [1,1,0,0,0,0|2,0,0]=4 2810 B11R0.43 CCSC(=O)[C@H](C)NC(C)CC 2230a_100103168634_100000758301 [1,1,0,0,0,0|1,1,0]=4 2811 B11R0.59 C=C(C)COC(C)C(=O)OCC 34a_100000210245_100011216346 [1,1,0,0,0,0|1,0,1]=4 2812 B11R0.59 C=C(C)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000748629 [1,1,0,0,0,0|1,0,1]=4 2813 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100000748629_100011216346 [1,1,0,0,0,0|1,0,1]=4 2814 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100011216346_100000211660 [1,1,0,0,0,0|1,0,1]=4 2815 B11R0.59 CC#CC(=O)C(C)CCC(C)C 1458a_100000763181_100011261404 [1,1,0,0,0,0|1,0,1]=4 2816 B11R0.59 CC(C)CCC(C)C(=O)CCO 1458a_100011216618_100011261404 [1,1,0,0,0,0|2,0,0]=4 2817 B11R0.59 CC=CC(=O)C(C)CCC(C)C 1458a_100000210699_100011261404 [1,1,0,0,0,0|1,0,1]=4 2818 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [1,1,0,0,0,0|1,0,0]=3 2819 B11R0.59 CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000211992 [1,1,0,0,0,0|2,0,0]=4 2820 B11R0.59 CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000211992 [1,1,0,0,0,0|2,0,0]=4 2821 B11R0.59 CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000211992 [1,1,0,0,0,0|2,0,0]=4 2822 B11R0.59 CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000211992 [1,1,0,0,0,0|2,0,0]=4 2823 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000230173 [1,1,0,0,0,0|2,0,0]=4 2824 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000736553_100000210760 [1,1,0,0,0,0|2,0,0]=4 2825 B11R0.59 CCNC(=O)C(C)NCC(C)C 270004a_100000736553_100000210432 [1,1,0,0,0,0|2,0,0]=4 2826 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000210953_100000230173 [1,1,0,0,0,0|2,0,0]=4 2827 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000736553_100000210624 [1,1,0,0,0,0|2,0,0]=4 2828 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000210904_100000230173 [1,1,0,0,0,0|2,0,0]=4 2829 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000736553_100011218427 [1,1,0,0,0,0|2,0,0]=4 2830 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000210904_100000230173 [1,1,0,0,0,0|2,0,0]=4 2831 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000736553_100011218427 [1,1,0,0,0,0|2,0,0]=4 2832 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 2230a_100000736553_100009817552 [1,1,0,0,0,0|2,0,0]=4 2833 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 34a_100000736553_100009817552 [1,1,0,0,0,0|2,0,0]=4 2834 B11R0.59 CCNC(=O)C(C)OCC(C)Br 34a_100012180447_100000230173 [1,1,0,0,0,0|2,0,0]=4 2835 B11R0.59 CCNC(=O)C(C)OCC(C)C 34a_100000210257_100000230173 [1,1,0,0,0,0|2,0,0]=4 2836 B11R0.59 CCNC(=O)C(C)OCC(C)F 34a_100015925927_100000230173 [1,1,0,0,0,0|2,0,0]=4 2837 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000230173 [1,1,0,0,0,0|2,0,0]=4 2838 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000230173 [1,1,0,0,0,0|2,0,0]=4 2839 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000210624_100000230173 [1,1,0,0,0,0|2,0,0]=4 2840 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000230173_100000210760 [1,1,0,0,0,0|2,0,0]=4 2841 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100000230173_100011218427 [1,1,0,0,0,0|2,0,0]=4 2842 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100011218427_100000230173 [1,1,0,0,0,0|2,0,0]=4 2843 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100000230173_100009817552 [1,1,0,0,0,0|2,0,0]=4 2844 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000230173 [1,1,0,0,0,0|2,0,0]=4 2845 B11R0.59 CCNC(=O)N(C)CCC(C)C 2708a_100015525214_100000742789 [1,1,0,0,0,0|2,0,0]=4 2846 B11R0.59 CCNC(=O)N(C)CCC(C)C 273464a_100015525214_100000742789 [1,1,0,0,0,0|2,0,0]=4 2847 B11R0.59 CCOC(=O)C(C)NCC(C)C 2230a_100000210953_100011215307 [1,1,0,0,0,0|1,0,0]=3 2848 B11R0.59 CCOC(=O)C(C)NCC(C)C 34a_100000210953_100011216346 [1,1,0,0,0,0|1,0,0]=3 2849 B11R0.59 CCOC(=O)C(C)NCC(C)O 2230a_100000210904_100011215307 [1,1,0,0,0,0|1,0,0]=3 2850 B11R0.59 CCOC(=O)C(C)NCC(C)O 34a_100000210904_100011216346 [1,1,0,0,0,0|1,0,0]=3 2851 B11R0.59 CCOC(=O)C(C)NCC(F)F 34a_100000765723_100011216346 [1,1,0,0,0,0|2,0,0]=4 2852 B11R0.59 CCOC(=O)C(C)OCC(=O)C 34a_100000211253_100011216346 [1,1,0,0,0,0|1,0,1]=4 2853 B11R0.59 CCOC(=O)C(C)OCC(C)Br 34a_100012180447_100011216346 [1,1,0,0,0,0|1,0,0]=3 2854 B11R0.59 CCOC(=O)C(C)OCC(C)C 34a_100000210257_100011216346 [1,1,0,0,0,0|1,0,0]=3 2855 B11R0.59 CCOC(=O)C(C)OCC(C)F 34a_100015925927_100011216346 [1,1,0,0,0,0|1,0,0]=3 2856 B11R0.59 CCOC(=O)C(C)OCC(F)F 34a_100000743014_100011216346 [1,1,0,0,0,0|2,0,0]=4 2857 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100011216346 [1,1,0,0,0,0|1,0,0]=3 2858 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100011216346 [1,1,0,0,0,0|1,0,0]=3 2859 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100000210624_100011216346 [1,1,0,0,0,0|1,0,0]=3 2860 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100011216346_100000210760 [1,1,0,0,0,0|1,0,0]=3 2861 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011216346_100011218427 [1,1,0,0,0,0|1,0,0]=3 2862 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011218427_100011216346 [1,1,0,0,0,0|1,0,0]=3 2863 B11R0.59 CCOC(=O)C(C)SCC(F)F 62a_100011216346_100011934356 [1,1,0,0,0,0|2,0,0]=4 2864 B11R0.59 CCOC(=O)C(C)SCC(F)F 62a_100011934356_100011216346 [1,1,0,0,0,0|2,0,0]=4 2865 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100011216346 [1,1,0,0,0,0|1,0,0]=3 2866 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100011216346_100009817552 [1,1,0,0,0,0|1,0,0]=3 2867 B11R0.59 CCOC(=O)C(F)NCC(C)C 2230a_100000210953_100000760018 [1,1,0,0,0,0|2,0,0]=4 2868 B11R0.59 CCOC(=O)C(F)NCC(C)C 34a_100000210953_100000760018 [1,1,0,0,0,0|2,0,0]=4 2869 B11R0.59 CCOC(=O)C(F)NCC(C)O 2230a_100000210904_100000760018 [1,1,0,0,0,0|2,0,0]=4 2870 B11R0.59 CCOC(=O)C(F)NCC(C)O 34a_100000210904_100000760018 [1,1,0,0,0,0|2,0,0]=4 2871 B11R0.59 CCOC(=O)C(F)OCC(C)Br 34a_100012180447_100000760018 [1,1,0,0,0,0|2,0,0]=4 2872 B11R0.59 CCOC(=O)C(F)OCC(C)C 34a_100000210257_100000760018 [1,1,0,0,0,0|2,0,0]=4 2873 B11R0.59 CCOC(=O)C(F)OCC(C)F 34a_100015925927_100000760018 [1,1,0,0,0,0|2,0,0]=4 2874 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)Cl 34a_100016084084_100000760018 [1,1,0,0,0,0|2,0,0]=4 2875 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)N 34a_100000737577_100000760018 [1,1,0,0,0,0|2,0,0]=4 2876 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000210624_100000760018 [1,1,0,0,0,0|2,0,0]=4 2877 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000760018_100000210760 [1,1,0,0,0,0|2,0,0]=4 2878 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100000760018_100011218427 [1,1,0,0,0,0|2,0,0]=4 2879 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100011218427_100000760018 [1,1,0,0,0,0|2,0,0]=4 2880 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100000760018_100009817552 [1,1,0,0,0,0|2,0,0]=4 2881 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100009817552_100000760018 [1,1,0,0,0,0|2,0,0]=4 2882 B11R0.59 CCOC(=O)[C@H](C)OCC(C)C 7a_100000751109_100000210760 [1,1,0,0,0,0|1,0,0]=3 2883 B11R0.59 CCOC(=O)[C@H](C)OCC(C)O 7a_100000751109_100011218427 [1,1,0,0,0,0|1,0,0]=3 2884 B11R0.59 CCOC(=O)[C@H](C)OCC(F)F 7a_100000751109_100011934356 [1,1,0,0,0,0|2,0,0]=4 2885 B11R0.59 CCOC(=O)[C@H](C)OC[C@@H](C)O 7a_100000751109_100009817552 [1,1,0,0,0,0|1,0,0]=3 2886 B11R0.59 CCSC(=O)[C@H](C)NCC(C)C 2230a_100103168634_100000210760 [1,1,0,0,0,0|1,1,0]=4 2887 B11R0.59 CCSC(=O)[C@H](C)NCC(C)O 2230a_100103168634_100011218427 [1,1,0,0,0,0|1,1,0]=4 2888 B11R0.59 CCSC(=O)[C@H](C)NC[C@@H](C)O 2230a_100103168634_100009817552 [1,1,0,0,0,0|1,1,0]=4 2889 B11R0.59 COCC(=O)C(C)CCC(C)C 1458a_100000210968_100011261404 [1,1,0,0,0,0|2,0,0]=4 2890 B11R0.59 CSCC(=O)C(C)CCC(C)C 1458a_100000184570_100011261404 [1,1,0,0,0,0|2,0,0]=4 2891 B11R0.68 C=C(C)CC(=O)C(C)CCCC 1458a_100000725509_100000748629 [1,1,0,0,0,0|1,0,1]=4 2892 B11R0.68 CC(C)OC(=O)[C@@H](C)OCCF 34a_100015307928_100011217306 [1,1,0,0,0,0|2,0,0]=4 2893 B11R0.68 CC(C)OC(=O)[C@@H](C)OCCF 7a_100015307928_100011217306 [1,1,0,0,0,0|2,0,0]=4 2894 B11R0.68 CC(C)OC(=O)[C@@H](C)OCCO 34a_100015307928_100000211926 [1,1,0,0,0,0|2,0,0]=4 2895 B11R0.68 CC(C)OC(=O)[C@@H](C)OCCO 7a_100015307928_100000211926 [1,1,0,0,0,0|2,0,0]=4 2896 B11R0.68 CCCCC(C)C(=O)C=C(C)C 1458a_100000211388_200011215066 [1,1,0,0,0,0|1,0,1]=4 2897 B11R0.68 CCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_200011215066 [1,1,0,0,0,0|1,0,1]=4 2898 B11R0.68 CCCCC(C)C(=O)C=C(C)I 1458a_100025716642_200011215066 [1,1,0,0,0,0|1,0,1]=4 2899 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011215066 [1,1,0,0,0,0|1,0,0]=3 2900 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000725509_100000210624 [1,1,0,0,0,0|1,0,0]=3 2901 B11R0.68 CCCCC(C)C(=O)CC(C)O 1458a_100000725509_100011218427 [1,1,0,0,0,0|1,0,0]=3 2902 B11R0.68 CCCCC(C)C(=O)CC(F)F 1458a_100000725509_100011934356 [1,1,0,0,0,0|2,0,0]=4 2903 B11R0.68 CCCCC(C)C(=O)CN(C)C 1458a_100000750896_200011215066 [1,1,0,0,0,0|2,0,0]=4 2904 B11R0.68 CCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011215066 [1,1,0,0,0,0|1,0,0]=3 2905 B11R0.68 CCCCC(C)C(=O)C[S+](C)C 1458a_200159257847_200011215066 [1,1,0,0,0,0|2,0,0]=4 2906 B11R0.68 CCCCC(C)C(=O)NC(C)C 11a_100138425928_100000725509 [1,1,0,0,0,0|1,0,0]=3 2907 B11R0.68 CCCCC(C)C(=O)NC(C)C 1626a_100138425928_100000725509 [1,1,0,0,0,0|1,0,0]=3 2908 B11R0.68 CCCCC(C)C(=O)NC(C)C 240690a_100138425928_100000725509 [1,1,0,0,0,0|1,0,0]=3 2909 B11R0.68 CCCCC(C)C(=O)NC(C)C 527a_100138425928_100000725509 [1,1,0,0,0,0|1,0,0]=3 2910 B11R0.68 CCCCC(O)C(=O)CC(C)C 1458a_100000720857_100000210624 [1,1,0,0,0,0|2,0,0]=4 2911 B11R0.68 CCCCC(O)C(=O)CC(C)O 1458a_100000720857_100011218427 [1,1,0,0,0,0|2,0,0]=4 2912 B11R0.68 CCCCC(O)C(=O)NC(C)C 240690a_100138425928_100000720857 [1,1,0,0,0,0|2,0,0]=4 2913 B11R0.68 CCCCC(O)C(=O)NC(C)C 527a_100138425928_100000720857 [1,1,0,0,0,0|2,0,0]=4 2914 B11R0.68 CCCCN(C)C(=O)CC(C)C 11a_100000207549_100000210554 [1,1,0,0,0,0|2,0,0]=4 2915 B11R0.68 CCCCN(C)C(=O)CC(C)C 1626a_100000207549_100000210554 [1,1,0,0,0,0|2,0,0]=4 2916 B11R0.68 CCCCN(C)C(=O)CC(C)C 240690a_100000207549_100000210554 [1,1,0,0,0,0|2,0,0]=4 2917 B11R0.68 CCCCN(C)C(=O)CC(C)C 527a_100000207549_100000210554 [1,1,0,0,0,0|2,0,0]=4 2918 B11R0.68 CCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207549_100011933948 [1,1,0,0,0,0|2,0,0]=4 2919 B11R0.68 CCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000207549 [1,1,0,0,0,0|2,0,0]=4 2920 B11R0.68 CCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000207549 [1,1,0,0,0,0|2,0,0]=4 2921 B11R0.68 CCCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210303 [1,1,0,0,0,0|2,0,0]=4 2922 B11R0.68 CCCNC(C)C(=O)NC(C)C 34a_100015205314_100000210303 [1,1,0,0,0,0|2,0,0]=4 2923 B11R0.68 CCCOC(C)C(=O)NC(C)C 34a_100000210258_100000195394 [1,1,0,0,0,0|2,0,0]=4 2924 B11R0.68 CCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210303 [1,1,0,0,0,0|1,0,0]=3 2925 B11R0.68 CCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210303 [1,1,0,0,0,0|1,0,0]=3 2926 B11R0.68 CCCSC(C)C(=O)NC(C)C 62a_100000195394_100000210303 [1,1,0,0,0,0|2,0,0]=4 2927 B11R0.68 CCCSC(C)C(=O)NC(C)C 62a_100000210303_100000195394 [1,1,0,0,0,0|2,0,0]=4 2928 B11R0.68 CCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210202 [1,1,0,0,0,0|2,0,0]=4 2929 B11R0.68 CSCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100011218213 [1,1,0,0,0,0|2,0,0]=4 2930 B11R0.73 C/C=C(\C)/C(=O)C(C)CCCC 1458a_100020587367_200011215066 [1,1,0,0,0,0|1,0,1]=4 2931 B11R0.73 CCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011215066 [1,1,0,0,0,0|2,0,0]=4 2932 B11R0.73 CCCCC(C)C(=O)C(C)CC 1458a_100000725509_100000758301 [1,1,0,0,0,0|1,0,0]=3 2933 B11R0.73 CCCCC(C)C(=O)C(C)CC 1458a_100011192722_200011215066 [1,1,0,0,0,0|1,0,0]=3 2934 B11R0.73 CCCCC(C)C(=O)C(C)OC 1458a_100000743197_200011215066 [1,1,0,0,0,0|2,0,0]=4 2935 B11R0.73 CCCCC(C)C(=O)C(C)SC 1458a_100000149566_200011215066 [1,1,0,0,0,0|2,0,0]=4 2936 B11R0.73 CCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011215066 [1,1,0,0,0,0|1,0,0]=3 2937 B11R0.73 CCCCC(C)C(=O)C(O)CO 1458a_100011215603_200011215066 [1,1,0,0,0,0|2,0,0]=4 2938 B11R0.73 CCCCC(C)C(=O)N(C)CC 11a_100000225621_100000725509 [1,1,0,0,0,0|1,0,0]=3 2939 B11R0.73 CCCCC(C)C(=O)N(C)CC 1626a_100000225621_100000725509 [1,1,0,0,0,0|1,0,0]=3 2940 B11R0.73 CCCCC(C)C(=O)N(C)CC 240690a_100000225621_100000725509 [1,1,0,0,0,0|1,0,0]=3 2941 B11R0.73 CCCCC(C)C(=O)N(C)CC 527a_100000225621_100000725509 [1,1,0,0,0,0|1,0,0]=3 2942 B11R0.73 CCCCC(O)C(=O)C(C)CC 1458a_100000720857_100000758301 [1,1,0,0,0,0|2,0,0]=4 2943 B11R0.73 CCCCC(O)C(=O)N(C)CC 240690a_100000225621_100000720857 [1,1,0,0,0,0|2,0,0]=4 2944 B11R0.73 CCCCC(O)C(=O)N(C)CC 527a_100000225621_100000720857 [1,1,0,0,0,0|2,0,0]=4 2945 B11R0.73 CCCCN(C)C(=O)C(C)CC 11a_100000207549_100011192722 [1,1,0,0,0,0|2,0,0]=4 2946 B11R0.73 CCCCN(C)C(=O)C(C)CC 1626a_100000207549_100011192722 [1,1,0,0,0,0|2,0,0]=4 2947 B11R0.73 CCCCN(C)C(=O)C(C)CC 240690a_100000207549_100011192722 [1,1,0,0,0,0|2,0,0]=4 2948 B11R0.73 CCCCN(C)C(=O)C(C)CC 527a_100000207549_100011192722 [1,1,0,0,0,0|2,0,0]=4 2949 B11R0.73 CCCCN(C)C(=O)C(O)CC 240690a_100000207549_100011196387 [1,1,0,0,0,0|2,0,0]=4 2950 B11R0.73 CCCOC(C)C(=O)N(C)CC 34a_100000210258_200012002205 [1,1,0,0,0,0|2,0,0]=4 2951 B11R0.73 CCCSC(C)C(=O)N(C)CC 62a_100000210303_200012002205 [1,1,0,0,0,0|2,0,0]=4 2952 B11R0.73 CCCSC(C)C(=O)N(C)CC 62a_200012002205_100000210303 [1,1,0,0,0,0|2,0,0]=4 2953 B11R0.155 C#CCCNC(C)C(=O)OCC 34a_100000755551_100011216346 [1,1,0,0,0,0|0,0,2]=4 2954 B11R0.155 C#CCCOC(C)C(=O)OCC 34a_100011215631_100011216346 [1,1,0,0,0,0|0,0,2]=4 2955 B11R0.155 C#CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000688953 [1,1,0,0,0,0|0,0,2]=4 2956 B11R0.155 C#CCCSC(C)C(=O)OCC 62a_100000688953_100011216346 [1,1,0,0,0,0|0,0,2]=4 2957 B11R0.155 C#CCCSC(C)C(=O)OCC 62a_100011216346_100000688953 [1,1,0,0,0,0|0,0,2]=4 2958 B11R0.155 C/C=C/COC(C)C(=O)OCC 34a_100016270725_100011216346 [1,1,0,0,0,0|0,0,2]=4 2959 B11R0.155 C/C=C/CO[C@@H](C)C(=O)OCC 7a_100000751109_100102629194 [1,1,0,0,0,0|0,0,2]=4 2960 B11R0.155 C/C=C/CSC(C)C(=O)OCC 62a_100011216346_100102629194 [1,1,0,0,0,0|0,0,2]=4 2961 B11R0.155 C/C=C/CSC(C)C(=O)OCC 62a_100102629194_100011216346 [1,1,0,0,0,0|0,0,2]=4 2962 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [1,1,0,0,0,0|0,0,2]=4 2963 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [1,1,0,0,0,0|0,0,2]=4 2964 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [1,1,0,0,0,0|0,0,2]=4 2965 B11R0.155 C=CCCNC(C)C(=O)OCC 2230a_100015191253_100011215307 [1,1,0,0,0,0|0,0,2]=4 2966 B11R0.155 C=CCCOC(C)C(=O)OCC 34a_100011205117_100011216346 [1,1,0,0,0,0|0,0,2]=4 2967 B11R0.155 C=CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000754431 [1,1,0,0,0,0|0,0,2]=4 2968 B11R0.155 C=CCCSC(C)C(=O)OCC 62a_100000754431_100011216346 [1,1,0,0,0,0|0,0,2]=4 2969 B11R0.155 C=CCCSC(C)C(=O)OCC 62a_100011216346_100000754431 [1,1,0,0,0,0|0,0,2]=4 2970 B11R0.155 CC#CC(=O)C(C)CCCCC 1458a_100000763181_200011218191 [1,1,0,0,0,0|1,0,1]=4 2971 B11R0.155 CC#CCNC(C)C(=O)OCC 2230a_100000685387_100011215307 [1,1,0,0,0,0|0,0,2]=4 2972 B11R0.155 CC#CCNC(C)C(=O)OCC 34a_100000685387_100011216346 [1,1,0,0,0,0|0,0,2]=4 2973 B11R0.155 CC#CCOC(C)C(=O)OCC 34a_100000761923_100011216346 [1,1,0,0,0,0|0,0,2]=4 2974 B11R0.155 CC#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000748600 [1,1,0,0,0,0|0,0,2]=4 2975 B11R0.155 CC#CCSC(C)C(=O)OCC 62a_100000748600_100011216346 [1,1,0,0,0,0|0,0,2]=4 2976 B11R0.155 CC#CCSC(C)C(=O)OCC 62a_100011216346_100000748600 [1,1,0,0,0,0|0,0,2]=4 2977 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [1,1,0,0,0,0|1,0,1]=4 2978 B11R0.155 CC=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000070051 [1,1,0,0,0,0|0,0,2]=4 2979 B11R0.155 CC=CCSC(C)C(=O)OCC 62a_100000070051_100011216346 [1,1,0,0,0,0|0,0,2]=4 2980 B11R0.155 CC=CCSC(C)C(=O)OCC 62a_100011216346_100000070051 [1,1,0,0,0,0|0,0,2]=4 2981 B11R0.155 CCCC(=O)N(C)CCCCO 240690a_100000717598_100000211992 [1,1,0,0,0,0|2,0,0]=4 2982 B11R0.155 CCCC(=O)N(C)CCCOC 11a_100000224831_100000211992 [1,1,0,0,0,0|2,0,0]=4 2983 B11R0.155 CCCC(=O)N(C)CCCOC 1626a_100000224831_100000211992 [1,1,0,0,0,0|2,0,0]=4 2984 B11R0.155 CCCC(=O)N(C)CCCOC 240690a_100000224831_100000211992 [1,1,0,0,0,0|2,0,0]=4 2985 B11R0.155 CCCC(=O)N(C)CCCOC 527a_100000224831_100000211992 [1,1,0,0,0,0|2,0,0]=4 2986 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [1,1,0,0,0,0|1,0,0]=3 2987 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [1,1,0,0,0,0|1,0,0]=3 2988 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [1,1,0,0,0,0|2,0,0]=4 2989 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [1,1,0,0,0,0|2,0,0]=4 2990 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [1,1,0,0,0,0|2,0,0]=4 2991 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [1,1,0,0,0,0|2,0,0]=4 2992 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [1,1,0,0,0,0|2,0,0]=4 2993 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [1,1,0,0,0,0|1,0,0]=3 2994 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [1,1,0,0,0,0|1,0,0]=3 2995 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [1,1,0,0,0,0|1,0,0]=3 2996 B11R0.155 CCCCCC(C)C(=O)NNC 22a_100016993582_100011215998 [1,1,0,0,0,0|2,0,0]=4 2997 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 2998 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 2999 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 3000 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 3001 B11R0.155 CCCCCN(C)C(=O)NCC 2708a_100015525214_100000223495 [1,1,0,0,0,0|2,0,0]=4 3002 B11R0.155 CCCCCN(C)C(=O)NCC 273464a_100015525214_100000223495 [1,1,0,0,0,0|2,0,0]=4 3003 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [1,1,0,0,0,0|1,0,1]=4 3004 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [1,1,0,0,0,0|1,0,1]=4 3005 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [1,1,0,0,0,0|1,0,1]=4 3006 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000102301_100000230173 [1,1,0,0,0,0|1,0,0]=3 3007 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000736553_100000210211 [1,1,0,0,0,0|1,0,0]=3 3008 B11R0.155 CCCCNC(C)C(=O)NCC 34a_100000736553_100000210210 [1,1,0,0,0,0|1,0,0]=3 3009 B11R0.155 CCCCNC(C)C(=O)NCC 7a_106832991798_100000230173 [1,1,0,0,0,0|1,0,0]=3 3010 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [1,1,0,0,0,0|0,0,0]=2 3011 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [1,1,0,0,0,0|0,0,0]=2 3012 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [1,1,0,0,0,0|1,0,0]=3 3013 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [1,1,0,0,0,0|1,0,0]=3 3014 B11R0.155 CCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210211 [1,1,0,0,0,0|0,1,0]=3 3015 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [1,1,0,0,0,0|1,0,0]=3 3016 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [1,1,0,0,0,0|1,0,0]=3 3017 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [1,1,0,0,0,0|0,0,0]=2 3018 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [1,1,0,0,0,0|0,0,0]=2 3019 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [1,1,0,0,0,0|1,0,0]=3 3020 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [1,1,0,0,0,0|1,0,0]=3 3021 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [1,1,0,0,0,0|0,0,0]=2 3022 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [1,1,0,0,0,0|1,0,0]=3 3023 B11R0.155 CCCCSC(C)C(=O)CCF 1458a_100000191163_100011217306 [1,1,0,0,0,0|2,0,0]=4 3024 B11R0.155 CCCCSC(C)C(=O)CCO 1458a_100000191163_100000211926 [1,1,0,0,0,0|2,0,0]=4 3025 B11R0.155 CCCCSC(C)C(=O)NCC 11a_100015525214_100000191163 [1,1,0,0,0,0|1,0,0]=3 3026 B11R0.155 CCCCSC(C)C(=O)NCC 240690a_100015525214_100000191163 [1,1,0,0,0,0|1,0,0]=3 3027 B11R0.155 CCCCSC(C)C(=O)NCC 527a_100015525214_100000191163 [1,1,0,0,0,0|1,0,0]=3 3028 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000210211_100000230173 [1,1,0,0,0,0|1,0,0]=3 3029 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000230173_100000210210 [1,1,0,0,0,0|1,0,0]=3 3030 B11R0.155 CCCCSC(C)C(=O)NNC 22a_100016993582_100000191163 [1,1,0,0,0,0|2,0,0]=4 3031 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [1,1,0,0,0,0|0,0,0]=2 3032 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [1,1,0,0,0,0|0,0,0]=2 3033 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [1,1,0,0,0,0|1,0,0]=3 3034 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [1,1,0,0,0,0|1,0,0]=3 3035 B11R0.155 CCCNN=C(C)C(=O)OCC 4a_100000740057_100000209952 [1,1,0,0,0,0|1,0,1]=4 3036 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [1,1,0,0,0,0|1,0,1]=4 3037 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [1,1,0,0,0,0|1,0,1]=4 3038 B11R0.155 CCNC(=O)C(C)NCCCF 2230a_100000736553_100011934791 [1,1,0,0,0,0|2,0,0]=4 3039 B11R0.155 CCNC(=O)C(C)NCCCF 2230a_100015189416_100000230173 [1,1,0,0,0,0|2,0,0]=4 3040 B11R0.155 CCNC(=O)C(C)NCCCF 34a_100000736553_100011934791 [1,1,0,0,0,0|2,0,0]=4 3041 B11R0.155 CCNC(=O)C(C)NCCCF 34a_100015189416_100000230173 [1,1,0,0,0,0|2,0,0]=4 3042 B11R0.155 CCNC(=O)C(C)NCCCO 2230a_100000736553_100000230001 [1,1,0,0,0,0|2,0,0]=4 3043 B11R0.155 CCNC(=O)C(C)NCCCO 34a_100000736553_100000230001 [1,1,0,0,0,0|2,0,0]=4 3044 B11R0.155 CCNC(=O)C(C)NCCOC 2230a_100000209980_100000230173 [1,1,0,0,0,0|2,0,0]=4 3045 B11R0.155 CCNC(=O)C(C)NCCOC 2230a_100000736553_100011201679 [1,1,0,0,0,0|2,0,0]=4 3046 B11R0.155 CCNC(=O)C(C)NCCOC 34a_100000736553_100011201679 [1,1,0,0,0,0|2,0,0]=4 3047 B11R0.155 CCNC(=O)C(C)NCCSC 2230a_100000736553_100000751147 [1,1,0,0,0,0|2,0,0]=4 3048 B11R0.155 CCNC(=O)C(C)NCCSC 2230a_100020590264_100000230173 [1,1,0,0,0,0|2,0,0]=4 3049 B11R0.155 CCNC(=O)C(C)NCCSC 34a_100000736553_100000212216 [1,1,0,0,0,0|2,0,0]=4 3050 B11R0.155 CCNC(=O)C(C)OCCCBr 34a_100011217188_100000230173 [1,1,0,0,0,0|2,0,0]=4 3051 B11R0.155 CCNC(=O)C(C)OCCCCl 34a_100000230001_100000230173 [1,1,0,0,0,0|2,0,0]=4 3052 B11R0.155 CCNC(=O)C(C)OCCCF 34a_100000759539_100000230173 [1,1,0,0,0,0|2,0,0]=4 3053 B11R0.155 CCNC(=O)C(C)OCCCN 34a_100000182051_100000230173 [1,1,0,0,0,0|2,0,0]=4 3054 B11R0.155 CCNC(=O)C(C)OCCOC 34a_100000210237_100000230173 [1,1,0,0,0,0|2,0,0]=4 3055 B11R0.155 CCNC(=O)C(C)OCCSC 34a_100000230434_100000230173 [1,1,0,0,0,0|2,0,0]=4 3056 B11R0.155 CCNC(=O)C(C)OCCSC 7a_100000230434_100000230173 [1,1,0,0,0,0|2,0,0]=4 3057 B11R0.155 CCNC(=O)C(C)SCCCF 62a_100000230173_100011934791 [1,1,0,0,0,0|2,0,0]=4 3058 B11R0.155 CCNC(=O)C(C)SCCCF 62a_100011934791_100000230173 [1,1,0,0,0,0|2,0,0]=4 3059 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100000230173_100011215043 [1,1,0,0,0,0|2,0,0]=4 3060 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100011215043_100000230173 [1,1,0,0,0,0|2,0,0]=4 3061 B11R0.155 CCNC(=O)C(C)SCCOC 62a_100000230173_100000233755 [1,1,0,0,0,0|2,0,0]=4 3062 B11R0.155 CCNC(=O)C(C)SCCOC 62a_100000233755_100000230173 [1,1,0,0,0,0|2,0,0]=4 3063 B11R0.155 CCNC(=O)C(C)SCCSC 62a_100000212216_100000230173 [1,1,0,0,0,0|2,0,0]=4 3064 B11R0.155 CCNC(=O)C(C)SCCSC 62a_100000230173_100000751147 [1,1,0,0,0,0|2,0,0]=4 3065 B11R0.155 CCNC(=O)C(C)SCOCC 62a_100000230173_100000739092 [1,1,0,0,0,0|2,0,0]=4 3066 B11R0.155 CCNC(=O)C(C)SCOCC 62a_100000739092_100000230173 [1,1,0,0,0,0|2,0,0]=4 3067 B11R0.155 CCNC(=O)N(C)CCCCO 2708a_100015525214_100000717598 [1,1,0,0,0,0|2,0,0]=4 3068 B11R0.155 CCNC(=O)N(C)CCCCO 273464a_100015525214_100000717598 [1,1,0,0,0,0|2,0,0]=4 3069 B11R0.155 CCNC(=O)N(C)CCCOC 2708a_100015525214_100000224831 [1,1,0,0,0,0|2,0,0]=4 3070 B11R0.155 CCNC(=O)N(C)CCCOC 273464a_100015525214_100000224831 [1,1,0,0,0,0|2,0,0]=4 3071 B11R0.155 CCOC(=O)C(C)NCCCF 2230a_100015189416_100011215307 [1,1,0,0,0,0|1,0,0]=3 3072 B11R0.155 CCOC(=O)C(C)NCCCF 34a_100015189416_100011216346 [1,1,0,0,0,0|1,0,0]=3 3073 B11R0.155 CCOC(=O)C(C)NCCOC 2230a_100000209980_100011215307 [1,1,0,0,0,0|1,0,0]=3 3074 B11R0.155 CCOC(=O)C(C)NCCSC 2230a_100020590264_100011215307 [1,1,0,0,0,0|1,0,0]=3 3075 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [1,1,0,0,0,0|1,0,0]=3 3076 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [1,1,0,0,0,0|1,0,0]=3 3077 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [1,1,0,0,0,0|1,0,0]=3 3078 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [1,1,0,0,0,0|1,0,0]=3 3079 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [1,1,0,0,0,0|1,0,0]=3 3080 B11R0.155 CCOC(=O)C(C)OCCON 34a_100000700252_100011216346 [1,1,0,0,0,0|2,0,0]=4 3081 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [1,1,0,0,0,0|1,0,0]=3 3082 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [1,1,0,0,0,0|1,0,0]=3 3083 B11R0.155 CCOC(=O)C(C)SCCC#N 62a_100011215226_100011216346 [1,1,0,0,0,0|1,0,1]=4 3084 B11R0.155 CCOC(=O)C(C)SCCC#N 62a_100011216346_100011215226 [1,1,0,0,0,0|1,0,1]=4 3085 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011216346_100011934791 [1,1,0,0,0,0|1,0,0]=3 3086 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011934791_100011216346 [1,1,0,0,0,0|1,0,0]=3 3087 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [1,1,0,0,0,0|1,0,0]=3 3088 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [1,1,0,0,0,0|1,0,0]=3 3089 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100000233755_100011216346 [1,1,0,0,0,0|1,0,0]=3 3090 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100011216346_100000233755 [1,1,0,0,0,0|1,0,0]=3 3091 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100000212216_100011216346 [1,1,0,0,0,0|1,0,0]=3 3092 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100011216346_100000751147 [1,1,0,0,0,0|1,0,0]=3 3093 B11R0.155 CCOC(=O)C(F)NCCCF 2230a_100015189416_100000760018 [1,1,0,0,0,0|2,0,0]=4 3094 B11R0.155 CCOC(=O)C(F)NCCCF 34a_100015189416_100000760018 [1,1,0,0,0,0|2,0,0]=4 3095 B11R0.155 CCOC(=O)C(F)NCCOC 2230a_100000209980_100000760018 [1,1,0,0,0,0|2,0,0]=4 3096 B11R0.155 CCOC(=O)C(F)NCCSC 2230a_100020590264_100000760018 [1,1,0,0,0,0|2,0,0]=4 3097 B11R0.155 CCOC(=O)C(F)OCCCBr 34a_100011217188_100000760018 [1,1,0,0,0,0|2,0,0]=4 3098 B11R0.155 CCOC(=O)C(F)OCCCCl 34a_100000230001_100000760018 [1,1,0,0,0,0|2,0,0]=4 3099 B11R0.155 CCOC(=O)C(F)OCCCF 34a_100000759539_100000760018 [1,1,0,0,0,0|2,0,0]=4 3100 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [1,1,0,0,0,0|2,0,0]=4 3101 B11R0.155 CCOC(=O)C(F)OCCOC 34a_100000210237_100000760018 [1,1,0,0,0,0|2,0,0]=4 3102 B11R0.155 CCOC(=O)C(F)OCCSC 34a_100000230434_100000760018 [1,1,0,0,0,0|2,0,0]=4 3103 B11R0.155 CCOC(=O)C(F)OCCSC 7a_100000230434_100000040065 [1,1,0,0,0,0|2,0,0]=4 3104 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100000760018_100011934791 [1,1,0,0,0,0|2,0,0]=4 3105 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100011934791_100000760018 [1,1,0,0,0,0|2,0,0]=4 3106 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [1,1,0,0,0,0|2,0,0]=4 3107 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [1,1,0,0,0,0|2,0,0]=4 3108 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000233755_100000760018 [1,1,0,0,0,0|2,0,0]=4 3109 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000760018_100000233755 [1,1,0,0,0,0|2,0,0]=4 3110 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000212216_100000760018 [1,1,0,0,0,0|2,0,0]=4 3111 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000760018_100000751147 [1,1,0,0,0,0|2,0,0]=4 3112 B11R0.155 CCOC(=O)[C@H](C)OCCC#N 7a_100000751109_100000184422 [1,1,0,0,0,0|1,0,1]=4 3113 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [1,1,0,0,0,0|1,0,0]=3 3114 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [1,1,0,0,0,0|1,0,0]=3 3115 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [1,1,0,0,0,0|1,0,0]=3 3116 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [1,1,0,0,0,0|1,0,0]=3 3117 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [1,1,0,0,0,0|1,0,0]=3 3118 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [1,1,0,0,0,0|1,0,0]=3 3119 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000739092_100000760018 [1,1,0,0,0,0|2,0,0]=4 3120 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000760018_100000739092 [1,1,0,0,0,0|2,0,0]=4 3121 B11R0.155 CCSC(=O)[C@H](C)NCCCF 2230a_100103168634_100011934791 [1,1,0,0,0,0|1,1,0]=4 3122 B11R0.155 CCSC(=O)[C@H](C)NCCCO 2230a_100103168634_100000230001 [1,1,0,0,0,0|1,1,0]=4 3123 B11R0.155 CCSC(=O)[C@H](C)NCCOC 2230a_100103168634_100011201679 [1,1,0,0,0,0|1,1,0]=4 3124 B11R0.155 CCSC(=O)[C@H](C)NCCSC 2230a_100103168634_100000751147 [1,1,0,0,0,0|1,1,0]=4 3125 B11R0.177 CCCC(=O)C(C)C(=O)NCC 1458a_100000211992_100000230173 [1,1,0,0,0,0|1,0,1]=4 3126 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [1,1,0,0,0,0|0,0,1]=3 3127 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [1,1,0,0,0,0|0,0,1]=3 3128 B11R0.177 CCCC(=O)C(F)C(=O)OCC 1458a_100000211992_100000760018 [1,1,0,0,0,0|1,0,1]=4 3129 B11R0.177 CCCN(C)C(C)C(=O)NCC 2230a_100000747261_100000230173 [1,1,0,0,0,0|2,0,0]=4 3130 B11R0.177 CCCN(C)C(C)C(=O)NCC 269982a_100000747261_100000230173 [1,1,0,0,0,0|2,0,0]=4 3131 B11R0.177 CCCN(C)C(C)C(=O)OCC 2230a_100000747261_100011215307 [1,1,0,0,0,0|1,0,0]=3 3132 B11R0.177 CCCN(C)C(C)C(=O)OCC 269982a_100000747261_100011216346 [1,1,0,0,0,0|1,0,0]=3 3133 B11R0.177 CCCN(C)C(F)C(=O)OCC 2230a_100000747261_100000760018 [1,1,0,0,0,0|2,0,0]=4 3134 B11R0.177 CCCN(C)C(F)C(=O)OCC 269982a_100000747261_100000760018 [1,1,0,0,0,0|2,0,0]=4 3135 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [1,1,0,0,0,0|1,0,1]=4 3136 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [1,1,0,0,0,0|1,0,1]=4 3137 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [1,1,0,0,0,0|1,0,1]=4 3138 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [1,1,0,0,0,0|1,0,1]=4 3139 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [1,1,0,0,0,0|1,0,1]=4 3140 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [1,1,0,0,0,0|1,0,1]=4 3141 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [1,1,0,0,0,0|1,0,1]=4 3142 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [1,1,0,0,0,0|1,0,1]=4 3143 B11R0.177 CCOC(=O)C(C)N(C)CCO 2230a_100000210263_100011215307 [1,1,0,0,0,0|2,0,0]=4 3144 B11R0.177 CCOC(=O)C(C)N(C)CCO 269982a_100000210263_100011216346 [1,1,0,0,0,0|2,0,0]=4 3145 B11R0.247 CCCCC(C)(C)C(=O)CCC 1458a_100011216040_100000210303 [1,1,0,0,0,0|1,0,0]=3 3146 B11R0.247 CCCCC(C)(C)C(=O)CCF 1458a_100011216040_100011217306 [1,1,0,0,0,0|2,0,0]=4 3147 B11R0.247 CCCCC(C)(C)C(=O)CCO 1458a_100011216040_100000211926 [1,1,0,0,0,0|2,0,0]=4 3148 B11R0.247 CCCCC(C)(C)C(=O)NCC 11a_100015525214_100011216040 [1,1,0,0,0,0|1,0,0]=3 3149 B11R0.247 CCCCC(C)(C)C(=O)NCC 240690a_100015525214_100011216040 [1,1,0,0,0,0|1,0,0]=3 3150 B11R0.247 CCCCC(C)(C)C(=O)NCC 527a_100015525214_100011216040 [1,1,0,0,0,0|1,0,0]=3 3151 B11R0.247 CCCCC(C)(C)C(=O)NNC 22a_100016993582_100011216040 [1,1,0,0,0,0|2,0,0]=4 3152 B11R0.247 CCCCC(C)(O)C(=O)CCC 1458a_100000137666_100000210303 [1,1,0,0,0,0|1,0,0]=3 3153 B11R0.247 CCCCC(C)(O)C(=O)CCF 1458a_100000137666_100011217306 [1,1,0,0,0,0|2,0,0]=4 3154 B11R0.247 CCCCC(C)(O)C(=O)CCO 1458a_100000137666_100000211926 [1,1,0,0,0,0|2,0,0]=4 3155 B11R0.247 CCCCC(C)(O)C(=O)NCC 240690a_100015525214_100000137666 [1,1,0,0,0,0|1,0,0]=3 3156 B11R0.247 CCCCC(C)(O)C(=O)NNC 22a_100016993582_100000137666 [1,1,0,0,0,0|2,0,0]=4 3157 B11R0.247 CCCCC(F)(F)C(=O)CCC 1458a_100000100317_100000210303 [1,1,0,0,0,0|2,0,0]=4 3158 B11R0.247 CCCCC(F)(F)C(=O)NCC 11a_100015525214_100000100317 [1,1,0,0,0,0|2,0,0]=4 3159 B11R0.247 CCCCC(F)(F)C(=O)NCC 240690a_100015525214_100000100317 [1,1,0,0,0,0|2,0,0]=4 3160 B11R0.247 CCCCC(F)(F)C(=O)NCC 527a_100015525214_100000100317 [1,1,0,0,0,0|2,0,0]=4 3161 B11R0.247 CCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210303 [1,1,0,0,0,0|1,0,0]=3 3162 B11R0.247 CCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210303 [1,1,0,0,0,0|1,0,0]=3 3163 B11R0.247 CCCOC(F)(F)C(=O)OCC 34a_100000210258_100000210910 [1,1,0,0,0,0|2,0,0]=4 3164 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100000210303_100011216345 [1,1,0,0,0,0|1,0,0]=3 3165 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210303 [1,1,0,0,0,0|1,0,0]=3 3166 B11R0.247 CCCSC(F)(F)C(=O)OCC 62a_100000210303_100000210910 [1,1,0,0,0,0|2,0,0]=4 3167 B11R0.247 CCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210303 [1,1,0,0,0,0|2,0,0]=4 3168 B11R0.247 CCNC(=O)C(C)(C)CSCC 62a_100000210202_100011895991 [1,1,0,0,0,0|2,0,0]=4 3169 B11R0.247 CCNC(=O)C(C)(C)CSCC 62a_100011895991_100000210202 [1,1,0,0,0,0|2,0,0]=4 3170 B11R0.247 CCNCC(C)(C)C(=O)OCC 2230a_100015525214_100011219049 [1,1,0,0,0,0|1,0,0]=3 3171 B11R0.247 CCOC(=O)C(C)(C)COCF 7a_100011765865_100015361967 [1,1,0,0,0,0|2,0,0]=4 3172 B11R0.247 CCOC(=O)C(C)(C)CSCC 62a_100000210202_100011219049 [1,1,0,0,0,0|1,0,0]=3 3173 B11R0.247 CCOC(=O)C(C)(C)CSCC 62a_100011219049_100000210202 [1,1,0,0,0,0|1,0,0]=3 3174 B11R0.247 CCOC(=O)C(C)(C)CSCF 62a_100011219049_100015361967 [1,1,0,0,0,0|2,0,0]=4 3175 B11R0.247 CCOC(=O)C(C)(C)CSCF 62a_100015361967_100011219049 [1,1,0,0,0,0|2,0,0]=4 3176 B11R0.247 CCOC(=O)C(C)(C)NCCO 2230a_100016997473_100011216345 [1,1,0,0,0,0|2,0,0]=4 3177 B11R0.247 CCOC(=O)C(C)(C)OCCF 34a_100000686869_100011217306 [1,1,0,0,0,0|2,0,0]=4 3178 B11R0.247 CCOC(=O)C(C)(C)OCCF 7a_100000686869_100011217306 [1,1,0,0,0,0|2,0,0]=4 3179 B11R0.247 CCOC(=O)C(C)(C)OCCO 34a_100000686869_100000211926 [1,1,0,0,0,0|2,0,0]=4 3180 B11R0.247 CCOC(=O)C(C)(C)OCCO 7a_100000686869_100000211926 [1,1,0,0,0,0|2,0,0]=4 3181 B11R0.247 CCOC(=O)C(C)(C)OCSC 34a_100000686869_100011218213 [1,1,0,0,0,0|2,0,0]=4 3182 B11R0.247 CCOC(=O)C(C)(C)SCCF 62a_100011216345_100011217306 [1,1,0,0,0,0|2,0,0]=4 3183 B11R0.247 CCOC(=O)C(C)(C)SCCF 62a_100011217306_100011216345 [1,1,0,0,0,0|2,0,0]=4 3184 B11R0.247 CCOC(=O)C(C)(C)SCCO 62a_100000211926_100011216345 [1,1,0,0,0,0|2,0,0]=4 3185 B11R0.247 CCOC(=O)C(C)(C)SCCO 62a_100011216345_100000211926 [1,1,0,0,0,0|2,0,0]=4 3186 B11R0.247 CCOC(=O)C(C)(C)SCOC 62a_100000766300_100011216345 [1,1,0,0,0,0|2,0,0]=4 3187 B11R0.247 CCOC(=O)C(C)(C)SCOC 62a_100011216345_100000766300 [1,1,0,0,0,0|2,0,0]=4 3188 B11R0.247 CCOC(=O)C(C)(C)SCSC 62a_100011216345_100011218213 [1,1,0,0,0,0|2,0,0]=4 3189 B11R0.247 CCOC(=O)C(C)(C)SCSC 62a_100011218213_100011216345 [1,1,0,0,0,0|2,0,0]=4 3190 B11R0.247 CCOC(=O)C(F)(F)CSCC 62a_100000210202_100009817193 [1,1,0,0,0,0|2,0,0]=4 3191 B11R0.247 CCOC(=O)C(F)(F)CSCC 62a_100009817193_100000210202 [1,1,0,0,0,0|2,0,0]=4 3192 B11R0.247 CCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210202 [1,1,0,0,0,0|1,0,0]=3 3193 B11R0.247 CCOCC(F)(F)C(=O)OCC 34a_100121572206_100009817193 [1,1,0,0,0,0|2,0,0]=4 3194 B11R0.18 C/C=C(\C)/C(=O)C(CC)CCC 1458a_100020587367_100011219200 [1,1,0,0,0,0|1,0,1]=4 3195 B11R0.18 CCCC(CC)C(=O)C(=O)NC 1458a_100011218921_100011219200 [1,1,0,0,0,0|2,0,0]=4 3196 B11R0.18 CCCC(CC)C(=O)C(C)CC 1458a_100011192722_100011219200 [1,1,0,0,0,0|1,0,0]=3 3197 B11R0.18 CCCC(CC)C(=O)C(C)CC 1458a_100011416436_100000758301 [1,1,0,0,0,0|1,0,0]=3 3198 B11R0.18 CCCC(CC)C(=O)C(C)OC 1458a_100000743197_100011219200 [1,1,0,0,0,0|2,0,0]=4 3199 B11R0.18 CCCC(CC)C(=O)C(C)SC 1458a_100000149566_100011219200 [1,1,0,0,0,0|2,0,0]=4 3200 B11R0.18 CCCC(CC)C(=O)C(O)CC 1458a_100011196387_100011219200 [1,1,0,0,0,0|1,0,0]=3 3201 B11R0.18 CCCC(CC)C(=O)C(O)CO 1458a_100011215603_100011219200 [1,1,0,0,0,0|2,0,0]=4 3202 B11R0.18 CCCC(CC)C(=O)N(C)CC 11a_100000225621_100011416436 [1,1,0,0,0,0|1,0,0]=3 3203 B11R0.18 CCCC(CC)C(=O)N(C)CC 1626a_100000225621_100011416436 [1,1,0,0,0,0|1,0,0]=3 3204 B11R0.18 CCCC(CC)C(=O)N(C)CC 240690a_100000225621_100011416436 [1,1,0,0,0,0|1,0,0]=3 3205 B11R0.18 CCCC(CC)C(=O)N(C)CC 527a_100000225621_100011416436 [1,1,0,0,0,0|1,0,0]=3 3206 B11R0.18 CCCN(CC)C(=O)C(C)CC 11a_100000226822_100011192722 [1,1,0,0,0,0|2,0,0]=4 3207 B11R0.18 CCCN(CC)C(=O)C(C)CC 1626a_100000226822_100011192722 [1,1,0,0,0,0|2,0,0]=4 3208 B11R0.18 CCCN(CC)C(=O)C(C)CC 240690a_100000226822_100011192722 [1,1,0,0,0,0|2,0,0]=4 3209 B11R0.18 CCCN(CC)C(=O)C(C)CC 527a_100000226822_100011192722 [1,1,0,0,0,0|2,0,0]=4 3210 B11R0.18 CCCN(CC)C(=O)C(O)CC 240690a_100000226822_100011196387 [1,1,0,0,0,0|2,0,0]=4 3211 B11R0.53 CCCC(=O)C(CC)N(C)CC 1458a_100011345578_100000210303 [1,1,0,0,0,0|2,0,0]=4 3212 B11R0.53 CCCC(=O)N(CC)C(C)CC 11a_100000732650_100000211992 [1,1,0,0,0,0|2,0,0]=4 3213 B11R0.53 CCCC(=O)N(CC)C(C)CC 1626a_100000732650_100000211992 [1,1,0,0,0,0|2,0,0]=4 3214 B11R0.53 CCCC(=O)N(CC)C(C)CC 240690a_100000732650_100000211992 [1,1,0,0,0,0|2,0,0]=4 3215 B11R0.53 CCCC(=O)N(CC)C(C)CC 527a_100000732650_100000211992 [1,1,0,0,0,0|2,0,0]=4 3216 B11R0.53 CCNC(=O)C(CC)N(C)CC 240690a_100015525214_100011345578 [1,1,0,0,0,0|2,0,0]=4 3217 B11R0.53 CCNC(=O)C(CC)N(C)CC 527a_100015525214_100011345578 [1,1,0,0,0,0|2,0,0]=4 3218 B11R0.53 CCNC(=O)N(CC)C(C)CC 2708a_100015525214_100000732650 [1,1,0,0,0,0|2,0,0]=4 3219 B11R0.53 CCNC(=O)N(CC)C(C)CC 273464a_100015525214_100000732650 [1,1,0,0,0,0|2,0,0]=4 3220 B11R0.53 CCOC(=O)C(CC)C(=O)CC 1458a_100000210414_100000212269 [1,1,0,0,0,0|0,0,1]=3 3221 B11R0.53 CCOC(=O)C(CC)C(=O)CO 1458a_100000210174_100000212269 [1,1,0,0,0,0|1,0,1]=4 3222 B11R0.53 CCOC(=O)C(CC)N(C)CC 2230a_100000225621_100000212269 [1,1,0,0,0,0|1,0,0]=3 3223 B11R0.53 CCOC(=O)C(CC)N(C)CC 269982a_100000225621_100000212269 [1,1,0,0,0,0|1,0,0]=3 3224 B11R0.53 CCOC(=O)C(NC)C(=O)CC 7a_106832991635_100000687759 [1,1,0,0,0,0|1,0,1]=4 3225 B11R0.53 CCOC(=O)C(SC)C(=O)CC 1458a_100000210414_100009893047 [1,1,0,0,0,0|1,0,1]=4 3226 B11R0.53 CCOC(=O)C(SC)C(=O)CC 62a_100000687759_200000210301 [1,1,0,0,0,0|1,0,1]=4 3227 B11R0.53 CCOC(=O)C(SC)C(=O)CC 62a_200000210301_100000687759 [1,1,0,0,0,0|1,0,1]=4 3228 B11R0.53 CCOC(=O)C(SC)N(C)CC 269982a_100000225621_100009893047 [1,1,0,0,0,0|2,0,0]=4 3229 B11R0.53 CCOC(=O)C(S[13CH3])C(=O)CC 62a_100000687759_200025704644 [1,1,0,0,0,0|1,0,1]=4 3230 B11R0.53 CCOC(=O)C(S[13CH3])C(=O)CC 62a_200025704644_100000687759 [1,1,0,0,0,0|1,0,1]=4 3231 B11R0.56 CCCC(=O)N(CC)CC(C)C 11a_100000738554_100000211992 [1,1,0,0,0,0|2,0,0]=4 3232 B11R0.56 CCCC(=O)N(CC)CC(C)C 1626a_100000738554_100000211992 [1,1,0,0,0,0|2,0,0]=4 3233 B11R0.56 CCCC(=O)N(CC)CC(C)C 240690a_100000738554_100000211992 [1,1,0,0,0,0|2,0,0]=4 3234 B11R0.56 CCCC(=O)N(CC)CC(C)C 527a_100000738554_100000211992 [1,1,0,0,0,0|2,0,0]=4 3235 B11R0.56 CCCC(=O)N(CC)C[C@H](C)O 240690a_100000729506_100000211992 [1,1,0,0,0,0|2,0,0]=4 3236 B11R0.56 CCCC(=O)N(CC)C[C@H](C)O 527a_100000729506_100000211992 [1,1,0,0,0,0|2,0,0]=4 3237 B11R0.56 CCNC(=O)N(CC)CC(C)C 2708a_100015525214_100000738554 [1,1,0,0,0,0|2,0,0]=4 3238 B11R0.56 CCNC(=O)N(CC)CC(C)C 273464a_100015525214_100000738554 [1,1,0,0,0,0|2,0,0]=4 3239 B11R0.56 CCNC(=O)N(CC)C[C@H](C)O 2708a_100015525214_100000729506 [1,1,0,0,0,0|2,0,0]=4 3240 B11R0.56 CCNC(=O)N(CC)C[C@H](C)O 273464a_100015525214_100000729506 [1,1,0,0,0,0|2,0,0]=4 3241 B11R0.56 CCOC(=O)C(CC(C)C)NC 2230a_106832991635_100010269446 [1,1,0,0,0,0|1,0,0]=3 3242 B11R0.56 CCOC(=O)C(CC(C)C)NC 34a_100102657272_100010269446 [1,1,0,0,0,0|1,0,0]=3 3243 B11R0.56 CCOC(=O)C(CC(C)C)NC 7a_106832991635_100010269446 [1,1,0,0,0,0|1,0,0]=3 3244 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100011626094_200000210301 [1,1,0,0,0,0|1,0,0]=3 3245 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100138415774_100010269446 [1,1,0,0,0,0|1,0,0]=3 3246 B11R0.56 CCOC(=O)C(CC(C)C)OC 7a_100011626094_200000210301 [1,1,0,0,0,0|1,0,0]=3 3247 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 34a_100011626094_200025704644 [1,1,0,0,0,0|1,0,0]=3 3248 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 7a_100011626094_200025704644 [1,1,0,0,0,0|1,0,0]=3 3249 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_100010269446_200000210301 [1,1,0,0,0,0|1,0,0]=3 3250 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_200000210301_100010269446 [1,1,0,0,0,0|1,0,0]=3 3251 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_100010269446_200025704644 [1,1,0,0,0,0|1,0,0]=3 3252 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_200025704644_100010269446 [1,1,0,0,0,0|1,0,0]=3 3253 B11R0.56 CCOC(=O)C(CC)NC(C)C 2230a_100138425928_100000212269 [1,1,0,0,0,0|1,0,0]=3 3254 B11R0.56 CCOC(=O)C(CC)NC(C)C 34a_100138425928_100000212269 [1,1,0,0,0,0|1,0,0]=3 3255 B11R0.56 CCOC(=O)C(CC)OC(C)C 34a_100000212225_100000212269 [1,1,0,0,0,0|1,0,0]=3 3256 B11R0.56 CCOC(=O)C(CC)OC(C)C 34a_100011216719_100000210206 [1,1,0,0,0,0|1,0,0]=3 3257 B11R0.56 CCOC(=O)C(CC)OC(C)C 7a_100011216719_100000210206 [1,1,0,0,0,0|1,0,0]=3 3258 B11R0.56 CCOC(=O)C(CC)SC(C)C 62a_100000210206_100000212269 [1,1,0,0,0,0|1,0,0]=3 3259 B11R0.56 CCOC(=O)C(CC)SC(C)C 62a_100000212269_100000210206 [1,1,0,0,0,0|1,0,0]=3 3260 B11R0.56 CCOC(=O)C(NC(C)C)SC 34a_100138425928_100009893047 [1,1,0,0,0,0|2,0,0]=4 3261 B11R0.56 CCOC(=O)C(OC(C)C)SC 34a_100000212225_100009893047 [1,1,0,0,0,0|2,0,0]=4 3262 B11R0.56 CCOC(=O)C(SC)SC(C)C 62a_100000210206_100009893047 [1,1,0,0,0,0|2,0,0]=4 3263 B11R0.56 CCOC(=O)C(SC)SC(C)C 62a_100009893047_100000210206 [1,1,0,0,0,0|2,0,0]=4 3264 B11R0.56 CCOC(=O)[C@H](CC)NC(=O)C 188690a_100025709693_100015343762 [1,1,0,0,0,0|1,0,1]=4 3265 B11R0.57 CCCC(=O)C(SCC)C(C)C 1458a_100000750736_100000210303 [1,1,0,0,0,0|2,0,0]=4 3266 B11R0.57 CCCC(=O)N(CCC)C(C)C 11a_106256033942_100000211992 [1,1,0,0,0,0|2,0,0]=4 3267 B11R0.57 CCCC(=O)N(CCC)C(C)C 1626a_106256033942_100000211992 [1,1,0,0,0,0|2,0,0]=4 3268 B11R0.57 CCCC(=O)N(CCC)C(C)C 240690a_106256033942_100000211992 [1,1,0,0,0,0|2,0,0]=4 3269 B11R0.57 CCCC(=O)N(CCC)C(C)C 527a_106256033942_100000211992 [1,1,0,0,0,0|2,0,0]=4 3270 B11R0.57 CCCC(C(=O)C)C(=O)OCC 1458a_100000070787_100000695697 [1,1,0,0,0,0|0,0,1]=3 3271 B11R0.57 CCCC(C(=O)OCC)N(C)C 2230a_100102631434_100000695697 [1,1,0,0,0,0|1,0,0]=3 3272 B11R0.57 CCCC(C(=O)OCC)N(C)C 269982a_100102631434_100000695697 [1,1,0,0,0,0|1,0,0]=3 3273 B11R0.57 CCCN(C(=O)NCC)C(C)C 2708a_100015525214_106256033942 [1,1,0,0,0,0|2,0,0]=4 3274 B11R0.57 CCCN(C(=O)NCC)C(C)C 273464a_100015525214_106256033942 [1,1,0,0,0,0|2,0,0]=4 3275 B11R0.57 CCNC(=O)C(SCC)C(C)C 11a_100015525214_100000750736 [1,1,0,0,0,0|2,0,0]=4 3276 B11R0.57 CCNC(=O)C(SCC)C(C)C 240690a_100015525214_100000750736 [1,1,0,0,0,0|2,0,0]=4 3277 B11R0.57 CCNC(=O)C(SCC)C(C)C 527a_100015525214_100000750736 [1,1,0,0,0,0|2,0,0]=4 3278 B11R0.57 CCOC(=O)C(OCC)C(=O)C 34a_100121572206_100009831564 [1,1,0,0,0,0|1,0,1]=4 3279 B11R0.57 CCOC(=O)C(OCC)C(C)C 34a_100121572206_100000740032 [1,1,0,0,0,0|1,0,0]=3 3280 B11R0.57 CCOC(=O)C(SCC)C(=O)C 62a_100000210202_100000211040 [1,1,0,0,0,0|1,0,1]=4 3281 B11R0.57 CCOC(=O)C(SCC)C(=O)C 62a_100000211040_100000210202 [1,1,0,0,0,0|1,0,1]=4 3282 B11R0.57 CCOC(=O)C(SCC)C(C)C 62a_100000210202_100000740032 [1,1,0,0,0,0|1,0,0]=3 3283 B11R0.57 CCOC(=O)C(SCC)C(C)C 62a_100000740032_100000210202 [1,1,0,0,0,0|1,0,0]=3 3284 B11R0.57 CCOC(=O)C(SCF)C(C)C 62a_100000740032_100015361967 [1,1,0,0,0,0|2,0,0]=4 3285 B11R0.57 CCOC(=O)C(SCF)C(C)C 62a_100015361967_100000740032 [1,1,0,0,0,0|2,0,0]=4 3286 B11R0.61 CC#CC(=O)C(CCC)CCC 1458a_100000763181_200011218217 [1,1,0,0,0,0|1,0,1]=4 3287 B11R0.61 CC=CC(=O)C(CCC)CCC 1458a_100000210699_200011218217 [1,1,0,0,0,0|1,0,1]=4 3288 B11R0.61 CCCC(=O)C(CCC)CCC 1458a_100000211992_200011218217 [1,1,0,0,0,0|1,0,0]=3 3289 B11R0.61 CCCC(=O)C(CCC)CCC 1458a_100011215354_100000210303 [1,1,0,0,0,0|1,0,0]=3 3290 B11R0.61 CCCC(=O)C(CCC)OCC 34a_200011216804_100000210202 [1,1,0,0,0,0|1,0,0]=3 3291 B11R0.61 CCCC(=O)C(CCC)OCC 7a_200011216804_100000210202 [1,1,0,0,0,0|1,0,0]=3 3292 B11R0.61 CCCC(=O)C(CCC)OCF 34a_200011216804_100015361967 [1,1,0,0,0,0|2,0,0]=4 3293 B11R0.61 CCCC(=O)C(CCC)OCF 7a_200011216804_100015361967 [1,1,0,0,0,0|2,0,0]=4 3294 B11R0.61 CCCC(=O)C(OCC)OCC 1458a_100000082760_100000210303 [1,1,0,0,0,0|2,0,0]=4 3295 B11R0.61 CCCC(=O)N(CCC)CCC 11a_100000210455_100000211992 [1,1,0,0,0,0|2,0,0]=4 3296 B11R0.61 CCCC(=O)N(CCC)CCC 1626a_100000210455_100000211992 [1,1,0,0,0,0|2,0,0]=4 3297 B11R0.61 CCCC(=O)N(CCC)CCC 240690a_100000210455_100000211992 [1,1,0,0,0,0|2,0,0]=4 3298 B11R0.61 CCCC(=O)N(CCC)CCC 527a_100000210455_100000211992 [1,1,0,0,0,0|2,0,0]=4 3299 B11R0.61 CCCC(=O)N(CCC)CCO 240690a_100000211420_100000211992 [1,1,0,0,0,0|2,0,0]=4 3300 B11R0.61 CCCC(CCC)C(=O)CCF 1458a_100011215354_100011217306 [1,1,0,0,0,0|2,0,0]=4 3301 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011215354_100000211926 [1,1,0,0,0,0|2,0,0]=4 3302 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011216618_200011218217 [1,1,0,0,0,0|2,0,0]=4 3303 B11R0.61 CCCC(CCC)C(=O)COC 1458a_100000210968_200011218217 [1,1,0,0,0,0|2,0,0]=4 3304 B11R0.61 CCCC(CCC)C(=O)CSC 1458a_100000184570_200011218217 [1,1,0,0,0,0|2,0,0]=4 3305 B11R0.61 CCCC(CCC)C(=O)NCC 11a_100015525214_100011215354 [1,1,0,0,0,0|1,0,0]=3 3306 B11R0.61 CCCC(CCC)C(=O)NCC 240690a_100015525214_100011215354 [1,1,0,0,0,0|1,0,0]=3 3307 B11R0.61 CCCC(CCC)C(=O)NCC 527a_100015525214_100011215354 [1,1,0,0,0,0|1,0,0]=3 3308 B11R0.61 CCCC(CCC)C(=O)NNC 22a_100016993582_100011215354 [1,1,0,0,0,0|2,0,0]=4 3309 B11R0.61 CCCC(NCC)C(=O)OCC 2230a_100015525214_100000695697 [1,1,0,0,0,0|0,0,0]=2 3310 B11R0.61 CCCC(OCC)C(=O)OCC 34a_100121572206_100000695697 [1,1,0,0,0,0|0,0,0]=2 3311 B11R0.61 CCCC(OCC)C(=O)OCC 34a_200011218214_100000210202 [1,1,0,0,0,0|0,0,0]=2 3312 B11R0.61 CCCC(OCC)C(=O)OCC 7a_200011218214_100000210202 [1,1,0,0,0,0|0,0,0]=2 3313 B11R0.61 CCCC(OCF)C(=O)OCC 34a_200011218214_100015361967 [1,1,0,0,0,0|1,0,0]=3 3314 B11R0.61 CCCC(OCF)C(=O)OCC 7a_200011218214_100015361967 [1,1,0,0,0,0|1,0,0]=3 3315 B11R0.61 CCCC(SCC)C(=O)OCC 62a_100000210202_100000695697 [1,1,0,0,0,0|0,0,0]=2 3316 B11R0.61 CCCC(SCC)C(=O)OCC 62a_100000695697_100000210202 [1,1,0,0,0,0|0,0,0]=2 3317 B11R0.61 CCCC(SCF)C(=O)OCC 62a_100000695697_100015361967 [1,1,0,0,0,0|1,0,0]=3 3318 B11R0.61 CCCC(SCF)C(=O)OCC 62a_100015361967_100000695697 [1,1,0,0,0,0|1,0,0]=3 3319 B11R0.61 CCCN(CCC)C(=O)NCC 2708a_100015525214_100000210455 [1,1,0,0,0,0|2,0,0]=4 3320 B11R0.61 CCCN(CCC)C(=O)NCC 273464a_100015525214_100000210455 [1,1,0,0,0,0|2,0,0]=4 3321 B11R0.61 CCCN(CCO)C(=O)NCC 2708a_100015525214_100000211420 [1,1,0,0,0,0|2,0,0]=4 3322 B11R0.61 CCCN(CCO)C(=O)NCC 273464a_100015525214_100000211420 [1,1,0,0,0,0|2,0,0]=4 3323 B11R0.61 CCNC(=O)C(OCC)OCC 11a_100015525214_100000082760 [1,1,0,0,0,0|2,0,0]=4 3324 B11R0.61 CCNC(=O)C(OCC)OCC 240690a_100015525214_100000082760 [1,1,0,0,0,0|2,0,0]=4 3325 B11R0.61 CCNC(=O)C(OCC)OCC 527a_100015525214_100000082760 [1,1,0,0,0,0|2,0,0]=4 3326 B11R0.61 CCOC(=O)C(OCC)OCC 34a_100121572206_100000033883 [1,1,0,0,0,0|1,0,0]=3 3327 B11R0.61 CCOC(=O)C(OCC)SCC 62a_100000033883_100000210202 [1,1,0,0,0,0|1,0,0]=3 3328 B11R0.61 CCOC(=O)C(OCC)SCC 62a_100000210202_100000033883 [1,1,0,0,0,0|1,0,0]=3 3329 B11R0.61 CCOC(=O)C(OCC)SCF 62a_100000033883_100015361967 [1,1,0,0,0,0|2,0,0]=4 3330 B11R0.61 CCOC(=O)C(OCC)SCF 62a_100015361967_100000033883 [1,1,0,0,0,0|2,0,0]=4 3331 B11R0.133 C=C(C)CC(=O)C(CC)CCC 1458a_100011416436_100000748629 [1,1,0,0,0,0|1,0,1]=4 3332 B11R0.133 CCCC(CC)C(=O)C=C(C)C 1458a_100000211388_100011219200 [1,1,0,0,0,0|1,0,1]=4 3333 B11R0.133 CCCC(CC)C(=O)C=C(C)Cl 1458a_200042562850_100011219200 [1,1,0,0,0,0|1,0,1]=4 3334 B11R0.133 CCCC(CC)C(=O)C=C(C)I 1458a_100025716642_100011219200 [1,1,0,0,0,0|1,0,1]=4 3335 B11R0.133 CCCC(CC)C(=O)CC(C)C 1458a_100000210554_100011219200 [1,1,0,0,0,0|1,0,0]=3 3336 B11R0.133 CCCC(CC)C(=O)CC(C)C 1458a_100011416436_100000210624 [1,1,0,0,0,0|1,0,0]=3 3337 B11R0.133 CCCC(CC)C(=O)CC(C)O 1458a_100011416436_100011218427 [1,1,0,0,0,0|1,0,0]=3 3338 B11R0.133 CCCC(CC)C(=O)CC(F)F 1458a_100011416436_100011934356 [1,1,0,0,0,0|2,0,0]=4 3339 B11R0.133 CCCC(CC)C(=O)CN(C)C 1458a_100000750896_100011219200 [1,1,0,0,0,0|2,0,0]=4 3340 B11R0.133 CCCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100011219200 [1,1,0,0,0,0|1,0,0]=3 3341 B11R0.133 CCCC(CC)C(=O)C[S+](C)C 1458a_200159257847_100011219200 [1,1,0,0,0,0|2,0,0]=4 3342 B11R0.133 CCCC(CC)C(=O)NC(C)C 11a_100138425928_100011416436 [1,1,0,0,0,0|1,0,0]=3 3343 B11R0.133 CCCC(CC)C(=O)NC(C)C 1626a_100138425928_100011416436 [1,1,0,0,0,0|1,0,0]=3 3344 B11R0.133 CCCC(CC)C(=O)NC(C)C 240690a_100138425928_100011416436 [1,1,0,0,0,0|1,0,0]=3 3345 B11R0.133 CCCC(CC)C(=O)NC(C)C 527a_100138425928_100011416436 [1,1,0,0,0,0|1,0,0]=3 3346 B11R0.133 CCCN(CC)C(=O)CC(C)C 11a_100000226822_100000210554 [1,1,0,0,0,0|2,0,0]=4 3347 B11R0.133 CCCN(CC)C(=O)CC(C)C 1626a_100000226822_100000210554 [1,1,0,0,0,0|2,0,0]=4 3348 B11R0.133 CCCN(CC)C(=O)CC(C)C 240690a_100000226822_100000210554 [1,1,0,0,0,0|2,0,0]=4 3349 B11R0.133 CCCN(CC)C(=O)CC(C)C 527a_100000226822_100000210554 [1,1,0,0,0,0|2,0,0]=4 3350 B11R0.133 CCCN(CC)C(=O)C[C@@H](C)O 240690a_100000226822_100011933948 [1,1,0,0,0,0|2,0,0]=4 3351 B11R0.133 CCCN(CC)C(=O)NC(C)C 2708a_100138425928_100000226822 [1,1,0,0,0,0|2,0,0]=4 3352 B11R0.133 CCCN(CC)C(=O)NC(C)C 273464a_100138425928_100000226822 [1,1,0,0,0,0|2,0,0]=4 3353 B11R0.133 CCNC(CC)C(=O)NC(C)C 2230a_100015525214_200011763342 [1,1,0,0,0,0|2,0,0]=4 3354 B11R0.133 CCOC(CC)C(=O)NC(C)C 34a_100121572206_200011763342 [1,1,0,0,0,0|2,0,0]=4 3355 B11R0.133 CCSC(CC)C(=O)NC(C)C 62a_100000210202_200011763342 [1,1,0,0,0,0|2,0,0]=4 3356 B11R0.133 CCSC(CC)C(=O)NC(C)C 62a_200011763342_100000210202 [1,1,0,0,0,0|2,0,0]=4 3357 B11R0.241 CC#CC(=O)C(C)(CC)CCC 1458a_100000763181_200000040151 [1,1,0,0,0,0|1,0,1]=4 3358 B11R0.241 CC=CC(=O)C(C)(CC)CCC 1458a_100000210699_200000040151 [1,1,0,0,0,0|1,0,1]=4 3359 B11R0.241 CCCC(=O)C(C)(CC)CCC 1458a_100000211992_200000040151 [1,1,0,0,0,0|1,0,0]=3 3360 B11R0.241 CCCC(=O)C(C)(CC)CCC 1458a_200000724995_100000210303 [1,1,0,0,0,0|1,0,0]=3 3361 B11R0.241 CCCC(C)(CC)C(=O)CCF 1458a_200000724995_100011217306 [1,1,0,0,0,0|2,0,0]=4 3362 B11R0.241 CCCC(C)(CC)C(=O)CCO 1458a_100011216618_200000040151 [1,1,0,0,0,0|2,0,0]=4 3363 B11R0.241 CCCC(C)(CC)C(=O)CCO 1458a_200000724995_100000211926 [1,1,0,0,0,0|2,0,0]=4 3364 B11R0.241 CCCC(C)(CC)C(=O)COC 1458a_100000210968_200000040151 [1,1,0,0,0,0|2,0,0]=4 3365 B11R0.241 CCCC(C)(CC)C(=O)CSC 1458a_100000184570_200000040151 [1,1,0,0,0,0|2,0,0]=4 3366 B11R0.241 CCCC(C)(CC)C(=O)NCC 11a_100015525214_200000724995 [1,1,0,0,0,0|1,0,0]=3 3367 B11R0.241 CCCC(C)(CC)C(=O)NCC 240690a_100015525214_200000724995 [1,1,0,0,0,0|1,0,0]=3 3368 B11R0.241 CCCC(C)(CC)C(=O)NCC 527a_100015525214_200000724995 [1,1,0,0,0,0|1,0,0]=3 3369 B11R0.241 CCCC(C)(CC)C(=O)NNC 22a_100016993582_200000724995 [1,1,0,0,0,0|2,0,0]=4 3370 B11R0.38 C#CC(=O)C(CCC)CCCC 1458a_100000211873_100000211913 [1,1,0,0,0,0|0,0,2]=4 3371 B11R0.38 C=CC(=O)C(CCC)CCCC 1458a_100000185746_100000211913 [1,1,0,0,0,0|0,0,2]=4 3372 B11R0.38 CCC(=O)N(CCO)CCCO 240690a_200000212863_100000210414 [1,1,0,0,0,0|2,0,0]=4 3373 B11R0.38 CCCC(NCCF)C(=O)OC 34a_100000724931_200009843822 [1,1,0,0,0,0|2,0,0]=4 3374 B11R0.38 CCCC(NCCO)C(=O)OC 2230a_100016997473_200009843822 [1,1,0,0,0,0|2,0,0]=4 3375 B11R0.38 CCCC(NCCO)C(=O)OC 34a_100016990907_200009843822 [1,1,0,0,0,0|2,0,0]=4 3376 B11R0.38 CCCC(OCCBr)C(=O)OC 34a_100000211926_200009843822 [1,1,0,0,0,0|2,0,0]=4 3377 B11R0.38 CCCC(OCCN)C(=O)OC 34a_100000210304_200009843822 [1,1,0,0,0,0|2,0,0]=4 3378 B11R0.38 CCCC(SCCF)C(=O)OC 62a_100011217306_200009843822 [1,1,0,0,0,0|2,0,0]=4 3379 B11R0.38 CCCC(SCCF)C(=O)OC 62a_200009843822_100011217306 [1,1,0,0,0,0|2,0,0]=4 3380 B11R0.38 CCCC(SCCO)C(=O)OC 62a_100000211926_200009843822 [1,1,0,0,0,0|2,0,0]=4 3381 B11R0.38 CCCC(SCCO)C(=O)OC 62a_200009843822_100000211926 [1,1,0,0,0,0|2,0,0]=4 3382 B11R0.38 CCCC(SCOC)C(=O)OC 62a_100000766300_200009843822 [1,1,0,0,0,0|2,0,0]=4 3383 B11R0.38 CCCC(SCOC)C(=O)OC 62a_200009843822_100000766300 [1,1,0,0,0,0|2,0,0]=4 3384 B11R0.38 CCCC(SCSC)C(=O)OC 62a_100011218213_200009843822 [1,1,0,0,0,0|2,0,0]=4 3385 B11R0.38 CCCC(SCSC)C(=O)OC 62a_200009843822_100011218213 [1,1,0,0,0,0|2,0,0]=4 3386 B11R0.38 CCCCC(CCC)C(=O)CC 1458a_100000210414_100000211913 [1,1,0,0,0,0|0,0,0]=2 3387 B11R0.38 CCCCC(CCC)C(=O)CO 1458a_100000210174_100000211913 [1,1,0,0,0,0|1,0,0]=3 3388 B11R0.38 CCCCC(CCC)N(C)CC 269982a_100000225621_100000211913 [1,1,0,0,0,0|2,0,0]=4 3389 B11R0.38 CCCCC(NCC)C(=O)OC 2230a_100015525214_100000750740 [1,1,0,0,0,0|0,0,0]=2 3390 B11R0.38 CCCCC(OCC)C(=O)OC 34a_100121572206_100000750740 [1,1,0,0,0,0|0,0,0]=2 3391 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000210202_100000750740 [1,1,0,0,0,0|0,0,0]=2 3392 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000750740_100000210202 [1,1,0,0,0,0|0,0,0]=2 3393 B11R0.38 CCCCC(SCF)C(=O)OC 62a_100000750740_100015361967 [1,1,0,0,0,0|1,0,0]=3 3394 B11R0.38 CCCCC(SCF)C(=O)OC 62a_100015361967_100000750740 [1,1,0,0,0,0|1,0,0]=3 3395 B11R0.38 CCCCN(CC#N)C(=O)CC 11a_200011192266_100000210414 [1,1,0,0,0,0|1,0,1]=4 3396 B11R0.38 CCCCN(CC#N)C(=O)CC 1626a_200011192266_100000210414 [1,1,0,0,0,0|1,0,1]=4 3397 B11R0.38 CCCCN(CC#N)C(=O)CC 240690a_200011192266_100000210414 [1,1,0,0,0,0|1,0,1]=4 3398 B11R0.38 CCCCN(CCC)C(=O)CC 11a_200000207744_100000210414 [1,1,0,0,0,0|1,0,0]=3 3399 B11R0.38 CCCCN(CCC)C(=O)CC 1626a_200000207744_100000210414 [1,1,0,0,0,0|1,0,0]=3 3400 B11R0.38 CCCCN(CCC)C(=O)CC 240690a_200000207744_100000210414 [1,1,0,0,0,0|1,0,0]=3 3401 B11R0.38 CCCCN(CCC)C(=O)CC 527a_200000207744_100000210414 [1,1,0,0,0,0|1,0,0]=3 3402 B11R0.38 CCCCN(CCC)C(=O)CO 240690a_200000207744_100000210174 [1,1,0,0,0,0|2,0,0]=4 3403 B11R0.38 CCCCN(CCC)C(=O)CO 527a_200000207744_100000210174 [1,1,0,0,0,0|2,0,0]=4 3404 B11R0.38 CCCCN(CCC)C(=O)NC 2708a_100102657272_200000207744 [1,1,0,0,0,0|2,0,0]=4 3405 B11R0.38 CCCCN(CCC)C(=O)NC 273464a_100102657272_200000207744 [1,1,0,0,0,0|2,0,0]=4 3406 B11R0.38 CCCCN(CCO)C(=O)CC 240690a_100000198060_100000210414 [1,1,0,0,0,0|1,0,0]=3 3407 B11R0.38 CCCCN(CCO)C(=O)CO 240690a_100000198060_100000210174 [1,1,0,0,0,0|2,0,0]=4 3408 B11R0.38 CCCCN(CCO)C(=O)NC 2708a_100102657272_100000198060 [1,1,0,0,0,0|2,0,0]=4 3409 B11R0.38 CCCCN(CCO)C(=O)NC 273464a_100102657272_100000198060 [1,1,0,0,0,0|2,0,0]=4 3410 B11R0.38 CCCN(CCOC)C(=O)CC 11a_200011192371_100000210414 [1,1,0,0,0,0|2,0,0]=4 3411 B11R0.38 CCCN(CCOC)C(=O)CC 1626a_200011192371_100000210414 [1,1,0,0,0,0|2,0,0]=4 3412 B11R0.38 CCCN(CCOC)C(=O)CC 240690a_200011192371_100000210414 [1,1,0,0,0,0|2,0,0]=4 3413 B11R0.38 CCCN(CCOC)C(=O)CC 527a_200011192371_100000210414 [1,1,0,0,0,0|2,0,0]=4 3414 B11R0.38 CCCNC(CCC)C(=O)NC 2230a_106256046333_100000210303 [1,1,0,0,0,0|2,0,0]=4 3415 B11R0.38 CCCNC(CCC)C(=O)NC 34a_106256046333_100000210303 [1,1,0,0,0,0|2,0,0]=4 3416 B11R0.38 CCCOC(CCC)C(=O)OC 34a_100000210258_200009843822 [1,1,0,0,0,0|1,0,0]=3 3417 B11R0.38 CCCOC(COC)C(=O)OC 34a_100000210258_100000717350 [1,1,0,0,0,0|1,0,0]=3 3418 B11R0.38 CCCSC(CCC)C(=O)OC 62a_100000210303_200009843822 [1,1,0,0,0,0|1,0,0]=3 3419 B11R0.38 CCCSC(CCC)C(=O)OC 62a_200009843822_100000210303 [1,1,0,0,0,0|1,0,0]=3 3420 B11R0.38 CCCSC(COC)C(=O)OC 62a_100000210303_100000717350 [1,1,0,0,0,0|1,0,0]=3 3421 B11R0.38 CCCSC(COC)C(=O)OC 62a_100000717350_100000210303 [1,1,0,0,0,0|1,0,0]=3 3422 B11R0.38 COCC(NCCF)C(=O)OC 34a_100000724931_100000717350 [1,1,0,0,0,0|2,0,0]=4 3423 B11R0.38 COCC(NCCO)C(=O)OC 34a_100016990907_100000717350 [1,1,0,0,0,0|2,0,0]=4 3424 B11R0.38 COCC(OCCBr)C(=O)OC 34a_100000211926_100000717350 [1,1,0,0,0,0|2,0,0]=4 3425 B11R0.38 COCC(OCCN)C(=O)OC 34a_100000210304_100000717350 [1,1,0,0,0,0|2,0,0]=4 3426 B11R0.38 COCC(SCCF)C(=O)OC 62a_100000717350_100011217306 [1,1,0,0,0,0|2,0,0]=4 3427 B11R0.38 COCC(SCCF)C(=O)OC 62a_100011217306_100000717350 [1,1,0,0,0,0|2,0,0]=4 3428 B11R0.38 COCC(SCCO)C(=O)OC 62a_100000211926_100000717350 [1,1,0,0,0,0|2,0,0]=4 3429 B11R0.38 COCC(SCCO)C(=O)OC 62a_100000717350_100000211926 [1,1,0,0,0,0|2,0,0]=4 3430 B11R0.38 COCC(SCSC)C(=O)OC 62a_100000717350_100011218213 [1,1,0,0,0,0|2,0,0]=4 3431 B11R0.38 COCC(SCSC)C(=O)OC 62a_100011218213_100000717350 [1,1,0,0,0,0|2,0,0]=4 3432 B11R0.38 COCSC(COC)C(=O)OC 62a_100000717350_100000766300 [1,1,0,0,0,0|2,0,0]=4 3433 B11R0.38 COCSC(COC)C(=O)OC 62a_100000766300_100000717350 [1,1,0,0,0,0|2,0,0]=4 3434 B11R0.75 C#CCCNC(CC)C(=O)OC 34a_100000755551_100000235869 [1,1,0,0,0,0|0,0,2]=4 3435 B11R0.75 C#CCCOC(CC)C(=O)CC 34a_200011218131_100000688953 [1,1,0,0,0,0|0,0,2]=4 3436 B11R0.75 C#CCCOC(CC)C(=O)CC 7a_200011218131_100000688953 [1,1,0,0,0,0|0,0,2]=4 3437 B11R0.75 C#CCCOC(CC)C(=O)OC 34a_100000695916_100000688953 [1,1,0,0,0,0|0,0,2]=4 3438 B11R0.75 C#CCCOC(CC)C(=O)OC 34a_100011215631_100000235869 [1,1,0,0,0,0|0,0,2]=4 3439 B11R0.75 C#CCCOC(CC)C(=O)OC 7a_100000695916_100000688953 [1,1,0,0,0,0|0,0,2]=4 3440 B11R0.75 C#CCCSC(CC)C(=O)OC 62a_100000235869_100000688953 [1,1,0,0,0,0|0,0,2]=4 3441 B11R0.75 C#CCCSC(CC)C(=O)OC 62a_100000688953_100000235869 [1,1,0,0,0,0|0,0,2]=4 3442 B11R0.75 C/C=C/COC(CC)C(=O)CC 34a_200011218131_100102629194 [1,1,0,0,0,0|0,0,2]=4 3443 B11R0.75 C/C=C/COC(CC)C(=O)CC 7a_200011218131_100102629194 [1,1,0,0,0,0|0,0,2]=4 3444 B11R0.75 C/C=C/COC(CC)C(=O)OC 34a_100000695916_100102629194 [1,1,0,0,0,0|0,0,2]=4 3445 B11R0.75 C/C=C/COC(CC)C(=O)OC 34a_100016270725_100000235869 [1,1,0,0,0,0|0,0,2]=4 3446 B11R0.75 C/C=C/COC(CC)C(=O)OC 7a_100000695916_100102629194 [1,1,0,0,0,0|0,0,2]=4 3447 B11R0.75 C/C=C/CSC(CC)C(=O)OC 62a_100000235869_100102629194 [1,1,0,0,0,0|0,0,2]=4 3448 B11R0.75 C/C=C/CSC(CC)C(=O)OC 62a_100102629194_100000235869 [1,1,0,0,0,0|0,0,2]=4 3449 B11R0.75 C=CCCNC(CC)C(=O)OC 2230a_100015191253_100000235869 [1,1,0,0,0,0|0,0,2]=4 3450 B11R0.75 C=CCCOC(CC)C(=O)CC 34a_200011218131_100000754431 [1,1,0,0,0,0|0,0,2]=4 3451 B11R0.75 C=CCCOC(CC)C(=O)CC 7a_200011218131_100000754431 [1,1,0,0,0,0|0,0,2]=4 3452 B11R0.75 C=CCCOC(CC)C(=O)OC 34a_100000695916_100000754431 [1,1,0,0,0,0|0,0,2]=4 3453 B11R0.75 C=CCCOC(CC)C(=O)OC 34a_100011205117_100000235869 [1,1,0,0,0,0|0,0,2]=4 3454 B11R0.75 C=CCCOC(CC)C(=O)OC 7a_100000695916_100000754431 [1,1,0,0,0,0|0,0,2]=4 3455 B11R0.75 C=CCCSC(CC)C(=O)OC 62a_100000235869_100000754431 [1,1,0,0,0,0|0,0,2]=4 3456 B11R0.75 C=CCCSC(CC)C(=O)OC 62a_100000754431_100000235869 [1,1,0,0,0,0|0,0,2]=4 3457 B11R0.75 CC#CCNC(CC)C(=O)OC 2230a_100000685387_100000235869 [1,1,0,0,0,0|0,0,2]=4 3458 B11R0.75 CC#CCNC(CC)C(=O)OC 34a_100000685387_100000235869 [1,1,0,0,0,0|0,0,2]=4 3459 B11R0.75 CC#CCOC(CC)C(=O)CC 34a_200011218131_100000748600 [1,1,0,0,0,0|0,0,2]=4 3460 B11R0.75 CC#CCOC(CC)C(=O)CC 7a_200011218131_100000748600 [1,1,0,0,0,0|0,0,2]=4 3461 B11R0.75 CC#CCOC(CC)C(=O)OC 34a_100000695916_100000748600 [1,1,0,0,0,0|0,0,2]=4 3462 B11R0.75 CC#CCOC(CC)C(=O)OC 34a_100000761923_100000235869 [1,1,0,0,0,0|0,0,2]=4 3463 B11R0.75 CC#CCOC(CC)C(=O)OC 7a_100000695916_100000748600 [1,1,0,0,0,0|0,0,2]=4 3464 B11R0.75 CC#CCSC(CC)C(=O)OC 62a_100000235869_100000748600 [1,1,0,0,0,0|0,0,2]=4 3465 B11R0.75 CC#CCSC(CC)C(=O)OC 62a_100000748600_100000235869 [1,1,0,0,0,0|0,0,2]=4 3466 B11R0.75 CC=CCOC(CC)C(=O)CC 34a_200011218131_100000070051 [1,1,0,0,0,0|0,0,2]=4 3467 B11R0.75 CC=CCOC(CC)C(=O)CC 7a_200011218131_100000070051 [1,1,0,0,0,0|0,0,2]=4 3468 B11R0.75 CC=CCOC(CC)C(=O)OC 34a_100000695916_100000070051 [1,1,0,0,0,0|0,0,2]=4 3469 B11R0.75 CC=CCOC(CC)C(=O)OC 7a_100000695916_100000070051 [1,1,0,0,0,0|0,0,2]=4 3470 B11R0.75 CC=CCSC(CC)C(=O)OC 62a_100000070051_100000235869 [1,1,0,0,0,0|0,0,2]=4 3471 B11R0.75 CC=CCSC(CC)C(=O)OC 62a_100000235869_100000070051 [1,1,0,0,0,0|0,0,2]=4 3472 B11R0.75 CCC(=O)C(CC)OCCC#N 7a_200011218131_100000184422 [1,1,0,0,0,0|1,0,1]=4 3473 B11R0.75 CCC(=O)C(CC)OCCCF 34a_200011218131_100011934791 [1,1,0,0,0,0|1,0,0]=3 3474 B11R0.75 CCC(=O)C(CC)OCCCF 7a_200011218131_100011934791 [1,1,0,0,0,0|1,0,0]=3 3475 B11R0.75 CCC(=O)C(CC)OCCCO 34a_200011218131_100000230001 [1,1,0,0,0,0|1,0,0]=3 3476 B11R0.75 CCC(=O)C(CC)OCCCO 7a_200011218131_100011215043 [1,1,0,0,0,0|1,0,0]=3 3477 B11R0.75 CCC(=O)C(CC)OCCOC 34a_200011218131_100011201679 [1,1,0,0,0,0|1,0,0]=3 3478 B11R0.75 CCC(=O)C(CC)OCCOC 7a_200011218131_100000233755 [1,1,0,0,0,0|1,0,0]=3 3479 B11R0.75 CCC(=O)C(CC)OCCSC 34a_200011218131_100000212216 [1,1,0,0,0,0|1,0,0]=3 3480 B11R0.75 CCC(=O)C(CC)OCCSC 7a_200011218131_100000212216 [1,1,0,0,0,0|1,0,0]=3 3481 B11R0.75 CCC(=O)N(CC)CCCCO 240690a_100011217355_100000210414 [1,1,0,0,0,0|1,0,0]=3 3482 B11R0.75 CCC(NCCCF)C(=O)OC 2230a_100015189416_100000235869 [1,1,0,0,0,0|1,0,0]=3 3483 B11R0.75 CCC(NCCCF)C(=O)OC 34a_100015189416_100000235869 [1,1,0,0,0,0|1,0,0]=3 3484 B11R0.75 CCC(NCCOC)C(=O)OC 2230a_100000209980_100000235869 [1,1,0,0,0,0|1,0,0]=3 3485 B11R0.75 CCC(NCCSC)C(=O)OC 2230a_100020590264_100000235869 [1,1,0,0,0,0|1,0,0]=3 3486 B11R0.75 CCC(OCCC#N)C(=O)OC 7a_100000695916_100000184422 [1,1,0,0,0,0|1,0,1]=4 3487 B11R0.75 CCC(OCCCBr)C(=O)OC 34a_100011217188_100000235869 [1,1,0,0,0,0|1,0,0]=3 3488 B11R0.75 CCC(OCCCCl)C(=O)OC 34a_100000230001_100000235869 [1,1,0,0,0,0|1,0,0]=3 3489 B11R0.75 CCC(OCCCF)C(=O)OC 34a_100000695916_100011934791 [1,1,0,0,0,0|1,0,0]=3 3490 B11R0.75 CCC(OCCCF)C(=O)OC 34a_100000759539_100000235869 [1,1,0,0,0,0|1,0,0]=3 3491 B11R0.75 CCC(OCCCF)C(=O)OC 7a_100000695916_100011934791 [1,1,0,0,0,0|1,0,0]=3 3492 B11R0.75 CCC(OCCCN)C(=O)OC 34a_100000182051_100000235869 [1,1,0,0,0,0|1,0,0]=3 3493 B11R0.75 CCC(OCCCO)C(=O)OC 34a_100000695916_100000230001 [1,1,0,0,0,0|1,0,0]=3 3494 B11R0.75 CCC(OCCCO)C(=O)OC 7a_100000695916_100011215043 [1,1,0,0,0,0|1,0,0]=3 3495 B11R0.75 CCC(OCCOC)C(=O)OC 34a_100000210237_100000235869 [1,1,0,0,0,0|1,0,0]=3 3496 B11R0.75 CCC(OCCOC)C(=O)OC 34a_100000695916_100011201679 [1,1,0,0,0,0|1,0,0]=3 3497 B11R0.75 CCC(OCCOC)C(=O)OC 7a_100000695916_100000233755 [1,1,0,0,0,0|1,0,0]=3 3498 B11R0.75 CCC(OCCON)C(=O)OC 34a_100000700252_100000235869 [1,1,0,0,0,0|2,0,0]=4 3499 B11R0.75 CCC(OCCSC)C(=O)OC 34a_100000230434_100000235869 [1,1,0,0,0,0|1,0,0]=3 3500 B11R0.75 CCC(OCCSC)C(=O)OC 34a_100000695916_100000212216 [1,1,0,0,0,0|1,0,0]=3 3501 B11R0.75 CCC(OCCSC)C(=O)OC 7a_100000230434_100000742303 [1,1,0,0,0,0|1,0,0]=3 3502 B11R0.75 CCC(OCCSC)C(=O)OC 7a_100000695916_100000212216 [1,1,0,0,0,0|1,0,0]=3 3503 B11R0.75 CCC(SCCC#N)C(=O)OC 62a_100000235869_100011215226 [1,1,0,0,0,0|1,0,1]=4 3504 B11R0.75 CCC(SCCC#N)C(=O)OC 62a_100011215226_100000235869 [1,1,0,0,0,0|1,0,1]=4 3505 B11R0.75 CCC(SCCCF)C(=O)OC 62a_100000235869_100011934791 [1,1,0,0,0,0|1,0,0]=3 3506 B11R0.75 CCC(SCCCF)C(=O)OC 62a_100011934791_100000235869 [1,1,0,0,0,0|1,0,0]=3 3507 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100000235869_100011215043 [1,1,0,0,0,0|1,0,0]=3 3508 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100011215043_100000235869 [1,1,0,0,0,0|1,0,0]=3 3509 B11R0.75 CCC(SCCOC)C(=O)OC 62a_100000233755_100000235869 [1,1,0,0,0,0|1,0,0]=3 3510 B11R0.75 CCC(SCCOC)C(=O)OC 62a_100000235869_100000233755 [1,1,0,0,0,0|1,0,0]=3 3511 B11R0.75 CCC(SCCSC)C(=O)OC 62a_100000212216_100000235869 [1,1,0,0,0,0|1,0,0]=3 3512 B11R0.75 CCC(SCCSC)C(=O)OC 62a_100000235869_100000751147 [1,1,0,0,0,0|1,0,0]=3 3513 B11R0.75 CCCCCC(CC)C(=O)CC 1458a_100000697129_100000210202 [1,1,0,0,0,0|0,0,0]=2 3514 B11R0.75 CCCCCC(CC)C(=O)CF 1458a_100000697129_100015361967 [1,1,0,0,0,0|1,0,0]=3 3515 B11R0.75 CCCCCC(CC)C(=O)NC 11a_106832991635_100000697129 [1,1,0,0,0,0|1,0,0]=3 3516 B11R0.75 CCCCCC(CC)C(=O)NC 1626a_100102657272_100000697129 [1,1,0,0,0,0|1,0,0]=3 3517 B11R0.75 CCCCCC(CC)C(=O)NC 240690a_100102657272_100000697129 [1,1,0,0,0,0|1,0,0]=3 3518 B11R0.75 CCCCCC(CC)C(=O)NC 527a_100102657272_100000697129 [1,1,0,0,0,0|1,0,0]=3 3519 B11R0.75 CCCCCC(NC)C(=O)NC 2230a_200121577139_200000210301 [1,1,0,0,0,0|2,0,0]=4 3520 B11R0.75 CCCCCC(NC)C(=O)NC 34a_200121577139_200000210301 [1,1,0,0,0,0|2,0,0]=4 3521 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 2230a_200121577139_200025704644 [1,1,0,0,0,0|2,0,0]=4 3522 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 34a_200121577139_200025704644 [1,1,0,0,0,0|2,0,0]=4 3523 B11R0.75 CCCCNC(CC)C(=O)OC 2230a_100000102301_100000235869 [1,1,0,0,0,0|0,0,0]=2 3524 B11R0.75 CCCCNC(CC)C(=O)OC 7a_106832991798_100000742303 [1,1,0,0,0,0|0,0,0]=2 3525 B11R0.75 CCCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210211 [1,1,0,0,0,0|1,0,0]=3 3526 B11R0.75 CCCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210210 [1,1,0,0,0,0|1,0,0]=3 3527 B11R0.75 CCCCOC(C=O)C(=O)OC 34a_100000210227_100000046368 [1,1,0,0,0,0|1,0,1]=4 3528 B11R0.75 CCCCOC(CC)C(=O)CC 34a_200011218131_100000210210 [1,1,0,0,0,0|0,0,0]=2 3529 B11R0.75 CCCCOC(CC)C(=O)CC 7a_200011218131_100000210211 [1,1,0,0,0,0|0,0,0]=2 3530 B11R0.75 CCCCOC(CC)C(=O)OC 34a_100000210227_100000235869 [1,1,0,0,0,0|0,0,0]=2 3531 B11R0.75 CCCCOC(CC)C(=O)OC 34a_100000695916_100000210210 [1,1,0,0,0,0|0,0,0]=2 3532 B11R0.75 CCCCOC(CC)C(=O)OC 7a_100000210227_100000742303 [1,1,0,0,0,0|0,0,0]=2 3533 B11R0.75 CCCCOC(CC)C(=O)OC 7a_100000695916_100000210211 [1,1,0,0,0,0|0,0,0]=2 3534 B11R0.75 CCCCOC(CN)C(=O)OC 34a_100000695228_100000210210 [1,1,0,0,0,0|1,0,0]=3 3535 B11R0.75 CCCCOC(CO)C(=O)OC 34a_100000210227_100012276630 [1,1,0,0,0,0|1,0,0]=3 3536 B11R0.75 CCCCOC(OC)C(=O)OC 34a_100000036821_100000210210 [1,1,0,0,0,0|1,0,0]=3 3537 B11R0.75 CCCCOC(OC)C(=O)OC 34a_100000210227_100000101307 [1,1,0,0,0,0|1,0,0]=3 3538 B11R0.75 CCCCSC(C=O)C(=O)OC 62a_100000046368_100000210210 [1,1,0,0,0,0|1,0,1]=4 3539 B11R0.75 CCCCSC(C=O)C(=O)OC 62a_100000210211_100000046368 [1,1,0,0,0,0|1,0,1]=4 3540 B11R0.75 CCCCSC(CC)C(=O)OC 62a_100000210211_100000235869 [1,1,0,0,0,0|0,0,0]=2 3541 B11R0.75 CCCCSC(CC)C(=O)OC 62a_100000235869_100000210210 [1,1,0,0,0,0|0,0,0]=2 3542 B11R0.75 CCCCSC(CO)C(=O)OC 62a_100000210211_100012276630 [1,1,0,0,0,0|1,0,0]=3 3543 B11R0.75 CCCCSC(CO)C(=O)OC 62a_100012276630_100000210210 [1,1,0,0,0,0|1,0,0]=3 3544 B11R0.75 CCCCSC(OC)C(=O)OC 62a_100000101307_100000210210 [1,1,0,0,0,0|1,0,0]=3 3545 B11R0.75 CCCCSC(OC)C(=O)OC 62a_100000210211_100000101307 [1,1,0,0,0,0|1,0,0]=3 3546 B11R0.75 CCCNN=C(CC)C(=O)OC 4a_100000740057_100000688641 [1,1,0,0,0,0|1,0,1]=4 3547 B11R0.75 CCN(CCCCO)C(=O)CO 240690a_100011217355_100000210174 [1,1,0,0,0,0|2,0,0]=4 3548 B11R0.75 CCN(CCCCO)C(=O)NC 2708a_100102657272_100011217355 [1,1,0,0,0,0|2,0,0]=4 3549 B11R0.75 CCN(CCCCO)C(=O)NC 273464a_100102657272_100011217355 [1,1,0,0,0,0|2,0,0]=4 3550 B11R0.75 CCOCSC(CC)C(=O)OC 62a_100000235869_100000739092 [1,1,0,0,0,0|1,0,0]=3 3551 B11R0.75 CCOCSC(CC)C(=O)OC 62a_100000739092_100000235869 [1,1,0,0,0,0|1,0,0]=3 3552 B11R0.75 CCOCSC(CO)C(=O)OC 62a_100000739092_100012276630 [1,1,0,0,0,0|2,0,0]=4 3553 B11R0.75 CCOCSC(CO)C(=O)OC 62a_100012276630_100000739092 [1,1,0,0,0,0|2,0,0]=4 3554 B11R0.75 CCOCSC(OC)C(=O)OC 62a_100000101307_100000739092 [1,1,0,0,0,0|2,0,0]=4 3555 B11R0.75 CCOCSC(OC)C(=O)OC 62a_100000739092_100000101307 [1,1,0,0,0,0|2,0,0]=4 3556 B11R0.75 CC[C@H](NCCCF)C(=O)NC 2230a_106657271573_100011934791 [1,1,0,0,0,0|2,0,0]=4 3557 B11R0.75 CC[C@H](NCCCF)C(=O)NC 34a_106657271573_100011934791 [1,1,0,0,0,0|2,0,0]=4 3558 B11R0.75 CC[C@H](NCCCO)C(=O)NC 2230a_106657271573_100000230001 [1,1,0,0,0,0|2,0,0]=4 3559 B11R0.75 CC[C@H](NCCCO)C(=O)NC 34a_106657271573_100000230001 [1,1,0,0,0,0|2,0,0]=4 3560 B11R0.75 CC[C@H](NCCOC)C(=O)NC 2230a_106657271573_100011201679 [1,1,0,0,0,0|2,0,0]=4 3561 B11R0.75 CC[C@H](NCCOC)C(=O)NC 34a_106657271573_100011201679 [1,1,0,0,0,0|2,0,0]=4 3562 B11R0.75 CC[C@H](NCCSC)C(=O)NC 2230a_106657271573_100000751147 [1,1,0,0,0,0|2,0,0]=4 3563 B11R0.75 CC[C@H](NCCSC)C(=O)NC 34a_106657271573_100000212216 [1,1,0,0,0,0|2,0,0]=4 3564 B11R0.75 COC(=O)C(CN)OCCCF 34a_100000695228_100011934791 [1,1,0,0,0,0|2,0,0]=4 3565 B11R0.75 COC(=O)C(CN)OCCCO 34a_100000695228_100000230001 [1,1,0,0,0,0|2,0,0]=4 3566 B11R0.75 COC(=O)C(CN)OCCSC 34a_100000695228_100000212216 [1,1,0,0,0,0|2,0,0]=4 3567 B11R0.75 COC(=O)C(CO)NCCCF 34a_100015189416_100012276630 [1,1,0,0,0,0|2,0,0]=4 3568 B11R0.75 COC(=O)C(CO)OCCCBr 34a_100011217188_100012276630 [1,1,0,0,0,0|2,0,0]=4 3569 B11R0.75 COC(=O)C(CO)OCCCCl 34a_100000230001_100012276630 [1,1,0,0,0,0|2,0,0]=4 3570 B11R0.75 COC(=O)C(CO)OCCCF 34a_100000759539_100012276630 [1,1,0,0,0,0|2,0,0]=4 3571 B11R0.75 COC(=O)C(CO)OCCCN 34a_100000182051_100012276630 [1,1,0,0,0,0|2,0,0]=4 3572 B11R0.75 COC(=O)C(CO)OCCSC 34a_100000230434_100012276630 [1,1,0,0,0,0|2,0,0]=4 3573 B11R0.75 COC(=O)C(CO)SCCCF 62a_100011934791_100012276630 [1,1,0,0,0,0|2,0,0]=4 3574 B11R0.75 COC(=O)C(CO)SCCCF 62a_100012276630_100011934791 [1,1,0,0,0,0|2,0,0]=4 3575 B11R0.75 COC(=O)C(CO)SCCCO 62a_100011215043_100012276630 [1,1,0,0,0,0|2,0,0]=4 3576 B11R0.75 COC(=O)C(CO)SCCCO 62a_100012276630_100011215043 [1,1,0,0,0,0|2,0,0]=4 3577 B11R0.75 COC(=O)C(CO)SCCSC 62a_100000212216_100012276630 [1,1,0,0,0,0|2,0,0]=4 3578 B11R0.75 COC(=O)C(CO)SCCSC 62a_100012276630_100000751147 [1,1,0,0,0,0|2,0,0]=4 3579 B11R0.75 COC(=O)C(NCCCF)OC 34a_100015189416_100000101307 [1,1,0,0,0,0|2,0,0]=4 3580 B11R0.75 COC(=O)C(OC)OCCCBr 34a_100011217188_100000101307 [1,1,0,0,0,0|2,0,0]=4 3581 B11R0.75 COC(=O)C(OC)OCCCCl 34a_100000230001_100000101307 [1,1,0,0,0,0|2,0,0]=4 3582 B11R0.75 COC(=O)C(OC)OCCCF 34a_100000036821_100011934791 [1,1,0,0,0,0|2,0,0]=4 3583 B11R0.75 COC(=O)C(OC)OCCCF 34a_100000759539_100000101307 [1,1,0,0,0,0|2,0,0]=4 3584 B11R0.75 COC(=O)C(OC)OCCCN 34a_100000182051_100000101307 [1,1,0,0,0,0|2,0,0]=4 3585 B11R0.75 COC(=O)C(OC)OCCCO 34a_100000036821_100000230001 [1,1,0,0,0,0|2,0,0]=4 3586 B11R0.75 COC(=O)C(OC)OCCSC 34a_100000036821_100000212216 [1,1,0,0,0,0|2,0,0]=4 3587 B11R0.75 COC(=O)C(OC)OCCSC 34a_100000230434_100000101307 [1,1,0,0,0,0|2,0,0]=4 3588 B11R0.75 COC(=O)C(OC)SCCCF 62a_100000101307_100011934791 [1,1,0,0,0,0|2,0,0]=4 3589 B11R0.75 COC(=O)C(OC)SCCCF 62a_100011934791_100000101307 [1,1,0,0,0,0|2,0,0]=4 3590 B11R0.75 COC(=O)C(OC)SCCCO 62a_100000101307_100011215043 [1,1,0,0,0,0|2,0,0]=4 3591 B11R0.75 COC(=O)C(OC)SCCCO 62a_100011215043_100000101307 [1,1,0,0,0,0|2,0,0]=4 3592 B11R0.75 COC(=O)C(OC)SCCSC 62a_100000101307_100000751147 [1,1,0,0,0,0|2,0,0]=4 3593 B11R0.75 COC(=O)C(OC)SCCSC 62a_100000212216_100000101307 [1,1,0,0,0,0|2,0,0]=4 3594 B11R0.75 COCCOC(CN)C(=O)OC 34a_100000695228_100011201679 [1,1,0,0,0,0|2,0,0]=4 3595 B11R0.75 COCCOC(CO)C(=O)OC 34a_100000210237_100012276630 [1,1,0,0,0,0|2,0,0]=4 3596 B11R0.75 COCCOC(OC)C(=O)OC 34a_100000036821_100011201679 [1,1,0,0,0,0|2,0,0]=4 3597 B11R0.75 COCCOC(OC)C(=O)OC 34a_100000210237_100000101307 [1,1,0,0,0,0|2,0,0]=4 3598 B11R0.75 COCCSC(CO)C(=O)OC 62a_100000233755_100012276630 [1,1,0,0,0,0|2,0,0]=4 3599 B11R0.75 COCCSC(CO)C(=O)OC 62a_100012276630_100000233755 [1,1,0,0,0,0|2,0,0]=4 3600 B11R0.75 COCCSC(OC)C(=O)OC 62a_100000101307_100000233755 [1,1,0,0,0,0|2,0,0]=4 3601 B11R0.75 COCCSC(OC)C(=O)OC 62a_100000233755_100000101307 [1,1,0,0,0,0|2,0,0]=4 3602 B11R0.88 CCC(=O)C(CC)OC(C)CC 34a_200011218131_100011215416 [1,1,0,0,0,0|1,0,0]=3 3603 B11R0.88 CCC(=O)C(CC)OC(C)CC 7a_200011218131_100000758301 [1,1,0,0,0,0|1,0,0]=3 3604 B11R0.88 CCC(=O)C(CC)OC(C)CO 34a_200011218131_100012180447 [1,1,0,0,0,0|2,0,0]=4 3605 B11R0.88 CCC(=O)C(CC)OC(C)CO 7a_200011218131_100012180447 [1,1,0,0,0,0|2,0,0]=4 3606 B11R0.88 CCC(=O)N(CC)CC(O)CC 11a_100011365200_100000210414 [1,1,0,0,0,0|1,0,0]=3 3607 B11R0.88 CCC(=O)N(CC)CC(O)CC 1626a_100011365200_100000210414 [1,1,0,0,0,0|1,0,0]=3 3608 B11R0.88 CCC(=O)N(CC)CC(O)CC 240690a_100011365200_100000210414 [1,1,0,0,0,0|1,0,0]=3 3609 B11R0.88 CCC(=O)N(CC)CC(O)CC 527a_100011365200_100000210414 [1,1,0,0,0,0|1,0,0]=3 3610 B11R0.88 CCC(=O)N[C@H](CC)C(=O)OC 188690a_100020627782_100000210414 [1,1,0,0,0,0|1,0,1]=4 3611 B11R0.88 CCC(C)NC(CC)C(=O)OC 2230a_100000209981_100000235869 [1,1,0,0,0,0|1,0,0]=3 3612 B11R0.88 CCC(C)N[C@@H](CC)C(=O)NC 2230a_106657271573_100000758301 [1,1,0,0,0,0|2,0,0]=4 3613 B11R0.88 CCC(C)N[C@@H](CC)C(=O)NC 34a_106657271573_100011215416 [1,1,0,0,0,0|2,0,0]=4 3614 B11R0.88 CCC(C)OC(CC)C(=O)OC 34a_100000695916_100011215416 [1,1,0,0,0,0|1,0,0]=3 3615 B11R0.88 CCC(C)OC(CC)C(=O)OC 7a_100000210228_100000742303 [1,1,0,0,0,0|1,0,0]=3 3616 B11R0.88 CCC(C)OC(CC)C(=O)OC 7a_100000695916_100000758301 [1,1,0,0,0,0|1,0,0]=3 3617 B11R0.88 CCC(C)OC(CN)C(=O)OC 34a_100000695228_100011215416 [1,1,0,0,0,0|2,0,0]=4 3618 B11R0.88 CCC(C)OC(OC)C(=O)OC 34a_100000036821_100011215416 [1,1,0,0,0,0|2,0,0]=4 3619 B11R0.88 CCC(C)SC(CC)C(=O)OC 62a_100000235869_100000758301 [1,1,0,0,0,0|1,0,0]=3 3620 B11R0.88 CCC(C)SC(CC)C(=O)OC 62a_100000758301_100000235869 [1,1,0,0,0,0|1,0,0]=3 3621 B11R0.88 CCC(C)SC(CO)C(=O)OC 62a_100000758301_100012276630 [1,1,0,0,0,0|2,0,0]=4 3622 B11R0.88 CCC(C)SC(CO)C(=O)OC 62a_100012276630_100000758301 [1,1,0,0,0,0|2,0,0]=4 3623 B11R0.88 CCC(C)SC(OC)C(=O)OC 62a_100000101307_100000758301 [1,1,0,0,0,0|2,0,0]=4 3624 B11R0.88 CCC(C)SC(OC)C(=O)OC 62a_100000758301_100000101307 [1,1,0,0,0,0|2,0,0]=4 3625 B11R0.88 CCC(N[C@H](C)CO)C(=O)OC 2230a_100000737577_100000235869 [1,1,0,0,0,0|2,0,0]=4 3626 B11R0.88 CCC(O)CN(CC)C(=O)CO 240690a_100011365200_100000210174 [1,1,0,0,0,0|2,0,0]=4 3627 B11R0.88 CCC(O)CN(CC)C(=O)CO 527a_100011365200_100000210174 [1,1,0,0,0,0|2,0,0]=4 3628 B11R0.88 CCC(O)CN(CC)C(=O)NC 2708a_100102657272_100011365200 [1,1,0,0,0,0|2,0,0]=4 3629 B11R0.88 CCC(O)CN(CC)C(=O)NC 273464a_100102657272_100011365200 [1,1,0,0,0,0|2,0,0]=4 3630 B11R0.88 CCC(OC(C)CF)C(=O)OC 34a_100016041109_100000235869 [1,1,0,0,0,0|2,0,0]=4 3631 B11R0.88 CCC(OC(C)CF)C(=O)OC 7a_100016041109_100000742303 [1,1,0,0,0,0|2,0,0]=4 3632 B11R0.88 CCC(OC(C)CN)C(=O)OC 34a_100000210904_100000235869 [1,1,0,0,0,0|2,0,0]=4 3633 B11R0.88 CCC(OC(C)CO)C(=O)OC 34a_100000695916_100012180447 [1,1,0,0,0,0|2,0,0]=4 3634 B11R0.88 CCC(OC(C)CO)C(=O)OC 7a_100000695916_100012180447 [1,1,0,0,0,0|2,0,0]=4 3635 B11R0.88 CCC(SC(C)CO)C(=O)OC 62a_100012180447_100000235869 [1,1,0,0,0,0|2,0,0]=4 3636 B11R0.88 CCC(SC(C)OC)C(=O)OC 62a_100000235869_100009879195 [1,1,0,0,0,0|2,0,0]=4 3637 B11R0.88 CCC(SC(C)OC)C(=O)OC 62a_100009879195_100000235869 [1,1,0,0,0,0|2,0,0]=4 3638 B11R0.88 CCC(S[C@H](C)CO)C(=O)OC 62a_100000235869_100016084084 [1,1,0,0,0,0|2,0,0]=4 3639 B11R0.88 CCC(S[C@H](C)CO)C(=O)OC 62a_100016084084_100000235869 [1,1,0,0,0,0|2,0,0]=4 3640 B11R0.118 C=C(C)COC(CC)C(=O)CC 34a_200011218131_100000748629 [1,1,0,0,0,0|1,0,1]=4 3641 B11R0.118 C=C(C)COC(CC)C(=O)CC 7a_200011218131_100000748629 [1,1,0,0,0,0|1,0,1]=4 3642 B11R0.118 C=C(C)COC(CC)C(=O)OC 34a_100000210245_100000235869 [1,1,0,0,0,0|1,0,1]=4 3643 B11R0.118 C=C(C)COC(CC)C(=O)OC 34a_100000695916_100000748629 [1,1,0,0,0,0|1,0,1]=4 3644 B11R0.118 C=C(C)COC(CC)C(=O)OC 7a_100000695916_100000748629 [1,1,0,0,0,0|1,0,1]=4 3645 B11R0.118 C=C(C)CSC(CC)C(=O)OC 62a_100000235869_100000211660 [1,1,0,0,0,0|1,0,1]=4 3646 B11R0.118 C=C(C)CSC(CC)C(=O)OC 62a_100000748629_100000235869 [1,1,0,0,0,0|1,0,1]=4 3647 B11R0.118 CCC(=O)C(CC)OCC(C)C 34a_200011218131_100000210624 [1,1,0,0,0,0|1,0,0]=3 3648 B11R0.118 CCC(=O)C(CC)OCC(C)C 7a_200011218131_100000210760 [1,1,0,0,0,0|1,0,0]=3 3649 B11R0.118 CCC(=O)C(CC)OCC(C)O 34a_200011218131_100011218427 [1,1,0,0,0,0|1,0,0]=3 3650 B11R0.118 CCC(=O)C(CC)OCC(C)O 7a_200011218131_100011218427 [1,1,0,0,0,0|1,0,0]=3 3651 B11R0.118 CCC(=O)C(CC)OCC(F)F 34a_200011218131_100011934356 [1,1,0,0,0,0|2,0,0]=4 3652 B11R0.118 CCC(=O)C(CC)OCC(F)F 7a_200011218131_100011934356 [1,1,0,0,0,0|2,0,0]=4 3653 B11R0.118 CCC(=O)C(CC)OC[C@@H](C)O 34a_200011218131_100009817552 [1,1,0,0,0,0|1,0,0]=3 3654 B11R0.118 CCC(=O)C(CC)OC[C@@H](C)O 7a_200011218131_100009817552 [1,1,0,0,0,0|1,0,0]=3 3655 B11R0.118 CCC(=O)N(CC)CCC(C)C 11a_100000207693_100000210414 [1,1,0,0,0,0|1,0,0]=3 3656 B11R0.118 CCC(=O)N(CC)CCC(C)C 1626a_100000207693_100000210414 [1,1,0,0,0,0|1,0,0]=3 3657 B11R0.118 CCC(=O)N(CC)CCC(C)C 240690a_100000207693_100000210414 [1,1,0,0,0,0|1,0,0]=3 3658 B11R0.118 CCC(=O)N(CC)CCC(C)C 527a_100000207693_100000210414 [1,1,0,0,0,0|1,0,0]=3 3659 B11R0.118 CCC(=O)N(CC)CCN(C)C 240690a_100000225870_100000210414 [1,1,0,0,0,0|2,0,0]=4 3660 B11R0.118 CCC(NCC(C)C)C(=O)OC 2230a_100000210953_100000235869 [1,1,0,0,0,0|1,0,0]=3 3661 B11R0.118 CCC(NCC(C)C)C(=O)OC 34a_100000210953_100000235869 [1,1,0,0,0,0|1,0,0]=3 3662 B11R0.118 CCC(NCC(C)O)C(=O)OC 2230a_100000210904_100000235869 [1,1,0,0,0,0|1,0,0]=3 3663 B11R0.118 CCC(NCC(C)O)C(=O)OC 34a_100000210904_100000235869 [1,1,0,0,0,0|1,0,0]=3 3664 B11R0.118 CCC(NCC(F)F)C(=O)OC 34a_100000765723_100000235869 [1,1,0,0,0,0|2,0,0]=4 3665 B11R0.118 CCC(OCC(=O)C)C(=O)OC 34a_100000211253_100000235869 [1,1,0,0,0,0|1,0,1]=4 3666 B11R0.118 CCC(OCC(C)Br)C(=O)OC 34a_100012180447_100000235869 [1,1,0,0,0,0|1,0,0]=3 3667 B11R0.118 CCC(OCC(C)C)C(=O)OC 34a_100000210257_100000235869 [1,1,0,0,0,0|1,0,0]=3 3668 B11R0.118 CCC(OCC(C)C)C(=O)OC 34a_100000695916_100000210624 [1,1,0,0,0,0|1,0,0]=3 3669 B11R0.118 CCC(OCC(C)C)C(=O)OC 7a_100000695916_100000210760 [1,1,0,0,0,0|1,0,0]=3 3670 B11R0.118 CCC(OCC(C)F)C(=O)OC 34a_100015925927_100000235869 [1,1,0,0,0,0|1,0,0]=3 3671 B11R0.118 CCC(OCC(C)O)C(=O)OC 34a_100000695916_100011218427 [1,1,0,0,0,0|1,0,0]=3 3672 B11R0.118 CCC(OCC(C)O)C(=O)OC 7a_100000695916_100011218427 [1,1,0,0,0,0|1,0,0]=3 3673 B11R0.118 CCC(OCC(F)F)C(=O)OC 34a_100000695916_100011934356 [1,1,0,0,0,0|2,0,0]=4 3674 B11R0.118 CCC(OCC(F)F)C(=O)OC 34a_100000743014_100000235869 [1,1,0,0,0,0|2,0,0]=4 3675 B11R0.118 CCC(OCC(F)F)C(=O)OC 7a_100000695916_100011934356 [1,1,0,0,0,0|2,0,0]=4 3676 B11R0.118 CCC(OC[C@@H](C)Cl)C(=O)OC 34a_100016084084_100000235869 [1,1,0,0,0,0|1,0,0]=3 3677 B11R0.118 CCC(OC[C@@H](C)N)C(=O)OC 34a_100000737577_100000235869 [1,1,0,0,0,0|1,0,0]=3 3678 B11R0.118 CCC(OC[C@@H](C)O)C(=O)OC 34a_100000695916_100009817552 [1,1,0,0,0,0|1,0,0]=3 3679 B11R0.118 CCC(OC[C@@H](C)O)C(=O)OC 7a_100000695916_100009817552 [1,1,0,0,0,0|1,0,0]=3 3680 B11R0.118 CCC(SCC(C)C)C(=O)OC 62a_100000210624_100000235869 [1,1,0,0,0,0|1,0,0]=3 3681 B11R0.118 CCC(SCC(C)C)C(=O)OC 62a_100000235869_100000210760 [1,1,0,0,0,0|1,0,0]=3 3682 B11R0.118 CCC(SCC(C)O)C(=O)OC 62a_100000235869_100011218427 [1,1,0,0,0,0|1,0,0]=3 3683 B11R0.118 CCC(SCC(C)O)C(=O)OC 62a_100011218427_100000235869 [1,1,0,0,0,0|1,0,0]=3 3684 B11R0.118 CCC(SCC(F)F)C(=O)OC 62a_100000235869_100011934356 [1,1,0,0,0,0|2,0,0]=4 3685 B11R0.118 CCC(SCC(F)F)C(=O)OC 62a_100011934356_100000235869 [1,1,0,0,0,0|2,0,0]=4 3686 B11R0.118 CCC(SC[C@@H](C)O)C(=O)OC 62a_100000235869_100009817552 [1,1,0,0,0,0|1,0,0]=3 3687 B11R0.118 CCC(SC[C@@H](C)O)C(=O)OC 62a_100009817552_100000235869 [1,1,0,0,0,0|1,0,0]=3 3688 B11R0.118 CCN(CCC(C)C)C(=O)CO 240690a_100000207693_100000210174 [1,1,0,0,0,0|2,0,0]=4 3689 B11R0.118 CCN(CCC(C)C)C(=O)CO 527a_100000207693_100000210174 [1,1,0,0,0,0|2,0,0]=4 3690 B11R0.118 CCN(CCC(C)C)C(=O)NC 2708a_100102657272_100000207693 [1,1,0,0,0,0|2,0,0]=4 3691 B11R0.118 CCN(CCC(C)C)C(=O)NC 273464a_100102657272_100000207693 [1,1,0,0,0,0|2,0,0]=4 3692 B11R0.118 CC[C@H](NCC(C)C)C(=O)NC 2230a_106657271573_100000210760 [1,1,0,0,0,0|2,0,0]=4 3693 B11R0.118 CC[C@H](NCC(C)C)C(=O)NC 270004a_106657271573_100000210432 [1,1,0,0,0,0|2,0,0]=4 3694 B11R0.118 CC[C@H](NCC(C)C)C(=O)NC 34a_106657271573_100000210624 [1,1,0,0,0,0|2,0,0]=4 3695 B11R0.118 CC[C@H](NCC(C)O)C(=O)NC 2230a_106657271573_100011218427 [1,1,0,0,0,0|2,0,0]=4 3696 B11R0.118 CC[C@H](NCC(C)O)C(=O)NC 34a_106657271573_100011218427 [1,1,0,0,0,0|2,0,0]=4 3697 B11R0.118 CC[C@H](NC[C@@H](C)O)C(=O)NC 2230a_106657271573_100009817552 [1,1,0,0,0,0|2,0,0]=4 3698 B11R0.118 CC[C@H](NC[C@@H](C)O)C(=O)NC 34a_106657271573_100009817552 [1,1,0,0,0,0|2,0,0]=4 3699 B11R0.118 COC(=O)C(CN)OCC(C)C 34a_100000695228_100000210624 [1,1,0,0,0,0|2,0,0]=4 3700 B11R0.118 COC(=O)C(CN)OCC(C)O 34a_100000695228_100011218427 [1,1,0,0,0,0|2,0,0]=4 3701 B11R0.118 COC(=O)C(CN)OC[C@@H](C)O 34a_100000695228_100009817552 [1,1,0,0,0,0|2,0,0]=4 3702 B11R0.118 COC(=O)C(CO)NCC(C)C 34a_100000210953_100012276630 [1,1,0,0,0,0|2,0,0]=4 3703 B11R0.118 COC(=O)C(CO)NCC(C)O 34a_100000210904_100012276630 [1,1,0,0,0,0|2,0,0]=4 3704 B11R0.118 COC(=O)C(CO)OCC(C)Br 34a_100012180447_100012276630 [1,1,0,0,0,0|2,0,0]=4 3705 B11R0.118 COC(=O)C(CO)OCC(C)C 34a_100000210257_100012276630 [1,1,0,0,0,0|2,0,0]=4 3706 B11R0.118 COC(=O)C(CO)OCC(C)F 34a_100015925927_100012276630 [1,1,0,0,0,0|2,0,0]=4 3707 B11R0.118 COC(=O)C(CO)OC[C@@H](C)Cl 34a_100016084084_100012276630 [1,1,0,0,0,0|2,0,0]=4 3708 B11R0.118 COC(=O)C(CO)OC[C@@H](C)N 34a_100000737577_100012276630 [1,1,0,0,0,0|2,0,0]=4 3709 B11R0.118 COC(=O)C(CO)SCC(C)C 62a_100000210624_100012276630 [1,1,0,0,0,0|2,0,0]=4 3710 B11R0.118 COC(=O)C(CO)SCC(C)C 62a_100012276630_100000210760 [1,1,0,0,0,0|2,0,0]=4 3711 B11R0.118 COC(=O)C(CO)SCC(C)O 62a_100011218427_100012276630 [1,1,0,0,0,0|2,0,0]=4 3712 B11R0.118 COC(=O)C(CO)SCC(C)O 62a_100012276630_100011218427 [1,1,0,0,0,0|2,0,0]=4 3713 B11R0.118 COC(=O)C(CO)SC[C@@H](C)O 62a_100009817552_100012276630 [1,1,0,0,0,0|2,0,0]=4 3714 B11R0.118 COC(=O)C(CO)SC[C@@H](C)O 62a_100012276630_100009817552 [1,1,0,0,0,0|2,0,0]=4 3715 B11R0.118 COC(=O)C(NCC(C)C)OC 34a_100000210953_100000101307 [1,1,0,0,0,0|2,0,0]=4 3716 B11R0.118 COC(=O)C(NCC(C)O)OC 34a_100000210904_100000101307 [1,1,0,0,0,0|2,0,0]=4 3717 B11R0.118 COC(=O)C(OC)OCC(C)Br 34a_100012180447_100000101307 [1,1,0,0,0,0|2,0,0]=4 3718 B11R0.118 COC(=O)C(OC)OCC(C)C 34a_100000036821_100000210624 [1,1,0,0,0,0|2,0,0]=4 3719 B11R0.118 COC(=O)C(OC)OCC(C)C 34a_100000210257_100000101307 [1,1,0,0,0,0|2,0,0]=4 3720 B11R0.118 COC(=O)C(OC)OCC(C)F 34a_100015925927_100000101307 [1,1,0,0,0,0|2,0,0]=4 3721 B11R0.118 COC(=O)C(OC)OCC(C)O 34a_100000036821_100011218427 [1,1,0,0,0,0|2,0,0]=4 3722 B11R0.118 COC(=O)C(OC)OC[C@@H](C)Cl 34a_100016084084_100000101307 [1,1,0,0,0,0|2,0,0]=4 3723 B11R0.118 COC(=O)C(OC)OC[C@@H](C)N 34a_100000737577_100000101307 [1,1,0,0,0,0|2,0,0]=4 3724 B11R0.118 COC(=O)C(OC)OC[C@@H](C)O 34a_100000036821_100009817552 [1,1,0,0,0,0|2,0,0]=4 3725 B11R0.118 COC(=O)C(OC)SCC(C)C 62a_100000101307_100000210760 [1,1,0,0,0,0|2,0,0]=4 3726 B11R0.118 COC(=O)C(OC)SCC(C)C 62a_100000210624_100000101307 [1,1,0,0,0,0|2,0,0]=4 3727 B11R0.118 COC(=O)C(OC)SCC(C)O 62a_100000101307_100011218427 [1,1,0,0,0,0|2,0,0]=4 3728 B11R0.118 COC(=O)C(OC)SCC(C)O 62a_100011218427_100000101307 [1,1,0,0,0,0|2,0,0]=4 3729 B11R0.118 COC(=O)C(OC)SC[C@@H](C)O 62a_100000101307_100009817552 [1,1,0,0,0,0|2,0,0]=4 3730 B11R0.118 COC(=O)C(OC)SC[C@@H](C)O 62a_100009817552_100000101307 [1,1,0,0,0,0|2,0,0]=4 3731 B11R0.132 CCCCN(CC)S(=O)(=O)CC 270084a_100000207695_100000211323 [1,1,0,0,0,0|2,0,0]=4 3732 B11R0.132 CCCCN(CC)S(=O)(=O)CC 274078a_100000207695_100000211323 [1,1,0,0,0,0|2,0,0]=4 3733 B11R0.132 CCCCN(CC)S(=O)(=O)CC 40a_100000207695_100000053943 [1,1,0,0,0,0|2,0,0]=4 3734 B11R0.156 C#CC(OC)C(CC)CCCC 34a_200011216404_200000210301 [1,1,0,0,0,0|1,0,1]=4 3735 B11R0.156 C#CC(OC)C(CC)CCCC 7a_200011216404_200000210301 [1,1,0,0,0,0|1,0,1]=4 3736 B11R0.156 C#CC(O[13CH3])C(CC)CCCC 34a_200011216404_200025704644 [1,1,0,0,0,0|1,0,1]=4 3737 B11R0.156 C#CC(O[13CH3])C(CC)CCCC 7a_200011216404_200025704644 [1,1,0,0,0,0|1,0,1]=4 3738 B11R0.156 CCCCC(CC)N(CC)CC 269956a_100000042499_200011216223 [1,1,0,0,0,0|2,0,0]=4 3739 B11R0.156 CCCCC(CC)N(CC)CC 269982a_100000724800_200011216223 [1,1,0,0,0,0|2,0,0]=4 3740 B11R0.156 CCCCC(CC)N(CC)CC 270004a_100000724800_100000753412 [1,1,0,0,0,0|2,0,0]=4 3741 B11R0.162 C=C(C)C(=O)C(CC)CCCC 1458a_100000185857_200011216223 [1,1,0,0,0,0|0,0,1]=3 3742 B11R0.162 C=C(C)C(=O)N(CC)CCCC 11a_100000207695_100000185857 [1,1,0,0,0,0|1,0,1]=4 3743 B11R0.162 C=C(C)C(=O)N(CC)CCCC 1626a_100000207695_100000185857 [1,1,0,0,0,0|1,0,1]=4 3744 B11R0.162 CCCCC(CC)C(=O)C(C)C 1458a_100000210198_200011216223 [1,1,0,0,0,0|0,0,0]=2 3745 B11R0.162 CCCCC(CC)C(=O)C(C)C 1458a_100000211130_100000210206 [1,1,0,0,0,0|0,0,0]=2 3746 B11R0.162 CCCCC(CC)C(=O)C(C)F 1458a_100000062450_200011216223 [1,1,0,0,0,0|0,0,0]=2 3747 B11R0.162 CCCCC(CC)C(=O)C(O)O 1458a_100000233687_200011216223 [1,1,0,0,0,0|1,0,0]=3 3748 B11R0.162 CCCCC(CC)C(=O)N(C)C 11a_100102631434_100000211130 [1,1,0,0,0,0|1,0,0]=3 3749 B11R0.162 CCCCC(CC)C(=O)N(C)C 1626a_100102631434_100000211130 [1,1,0,0,0,0|1,0,0]=3 3750 B11R0.162 CCCCC(CC)C(=O)N(C)C 240690a_100102631434_100000211130 [1,1,0,0,0,0|1,0,0]=3 3751 B11R0.162 CCCCC(CC)C(=O)N(C)C 527a_100102631434_100000211130 [1,1,0,0,0,0|1,0,0]=3 3752 B11R0.162 CCCCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_200011216223 [1,1,0,0,0,0|0,0,0]=2 3753 B11R0.162 CCCCC(CC)C(=O)[C@H](C)O 1458a_217856618621_200011216223 [1,1,0,0,0,0|0,0,0]=2 3754 B11R0.162 CCCCC(CC)N(C)C(C)C 269982a_200000211004_200011216223 [1,1,0,0,0,0|2,0,0]=4 3755 B11R0.162 CCCCC(CC)N(C)C(C)C 270004a_200000211004_100000753412 [1,1,0,0,0,0|2,0,0]=4 3756 B11R0.162 CCCCN(CC)C(=O)C(C)C 11a_100000207695_100000210198 [1,1,0,0,0,0|1,0,0]=3 3757 B11R0.162 CCCCN(CC)C(=O)C(C)C 1626a_100000207695_100000210198 [1,1,0,0,0,0|1,0,0]=3 3758 B11R0.162 CCCCN(CC)C(=O)C(C)C 240690a_100000207695_100000210198 [1,1,0,0,0,0|1,0,0]=3 3759 B11R0.162 CCCCN(CC)C(=O)C(C)C 527a_100000207695_100000210198 [1,1,0,0,0,0|1,0,0]=3 3760 B11R0.162 CCCCN(CC)C(=O)C(C)F 11a_100000207695_100000062450 [1,1,0,0,0,0|1,0,0]=3 3761 B11R0.162 CCCCN(CC)C(=O)C(C)F 1626a_100000207695_100000062450 [1,1,0,0,0,0|1,0,0]=3 3762 B11R0.162 CCCCN(CC)C(=O)C(C)F 240690a_100000207695_100000062450 [1,1,0,0,0,0|1,0,0]=3 3763 B11R0.162 CCCCN(CC)C(=O)C(C)F 527a_100000207695_100000062450 [1,1,0,0,0,0|1,0,0]=3 3764 B11R0.162 CCCCN(CC)C(=O)C(F)F 11a_100000207695_100000210393 [1,1,0,0,0,0|2,0,0]=4 3765 B11R0.162 CCCCN(CC)C(=O)C(F)F 1626a_100000207695_100000210393 [1,1,0,0,0,0|2,0,0]=4 3766 B11R0.162 CCCCN(CC)C(=O)C(F)F 240690a_100000207695_100000210393 [1,1,0,0,0,0|2,0,0]=4 3767 B11R0.162 CCCCN(CC)C(=O)C(F)F 527a_100000207695_100000210393 [1,1,0,0,0,0|2,0,0]=4 3768 B11R0.162 CCCCN(CC)C(=O)C(O)O 240690a_100000207695_100000233687 [1,1,0,0,0,0|2,0,0]=4 3769 B11R0.162 CCCCN(CC)C(=O)[C@@H](C)O 240690a_100000207695_100000717761 [1,1,0,0,0,0|1,0,0]=3 3770 B11R0.162 CCCCN(CC)C(=O)[C@H](C)O 1626a_100000207695_217856618621 [1,1,0,0,0,0|1,0,0]=3 3771 B11R0.162 CCCCN(CC)C(=O)[C@H](C)O 240690a_100000207695_217856618621 [1,1,0,0,0,0|1,0,0]=3 3772 B11R0.162 CCCN[C@H](CC)C(=O)N(C)C 2230a_100102699731_100000210303 [1,1,0,0,0,0|2,0,0]=4 3773 B11R0.162 CCCN[C@H](CC)C(=O)N(C)C 34a_100102699731_100000210303 [1,1,0,0,0,0|2,0,0]=4 3774 B11R0.162 CCCOC(CC)C(=O)N(C)C 34a_100000210258_100011763435 [1,1,0,0,0,0|2,0,0]=4 3775 B11R0.162 CCCSC(CC)C(=O)N(C)C 62a_100000210303_100011763435 [1,1,0,0,0,0|2,0,0]=4 3776 B11R0.162 CCCSC(CC)C(=O)N(C)C 62a_100011763435_100000210303 [1,1,0,0,0,0|2,0,0]=4 3777 B11R0.162 CCN(CCOC)C(=O)C(C)C 11a_100000731262_100000210198 [1,1,0,0,0,0|2,0,0]=4 3778 B11R0.162 CCN(CCOC)C(=O)C(C)C 1626a_100000731262_100000210198 [1,1,0,0,0,0|2,0,0]=4 3779 B11R0.162 CCN(CCOC)C(=O)C(C)C 240690a_100000731262_100000210198 [1,1,0,0,0,0|2,0,0]=4 3780 B11R0.162 CCN(CCOC)C(=O)C(C)C 527a_100000731262_100000210198 [1,1,0,0,0,0|2,0,0]=4 3781 B11R0.162 CCN(CCOC)C(=O)C(C)F 11a_100000731262_100000062450 [1,1,0,0,0,0|2,0,0]=4 3782 B11R0.162 CCN(CCOC)C(=O)C(C)F 1626a_100000731262_100000062450 [1,1,0,0,0,0|2,0,0]=4 3783 B11R0.162 CCN(CCOC)C(=O)C(C)F 240690a_100000731262_100000062450 [1,1,0,0,0,0|2,0,0]=4 3784 B11R0.162 CCN(CCOC)C(=O)C(C)F 527a_100000731262_100000062450 [1,1,0,0,0,0|2,0,0]=4 3785 B11R0.162 CCN(CCOC)C(=O)[C@@H](C)O 240690a_100000731262_100000717761 [1,1,0,0,0,0|2,0,0]=4 3786 B11R0.162 CCN(CCOC)C(=O)[C@H](C)O 1626a_100000731262_217856618621 [1,1,0,0,0,0|2,0,0]=4 3787 B11R0.162 CCN(CCOC)C(=O)[C@H](C)O 240690a_100000731262_217856618621 [1,1,0,0,0,0|2,0,0]=4 3788 B11R0.167 CCC(=O)N(CCCO)C(C)C 240690a_100000182298_100000210414 [1,1,0,0,0,0|2,0,0]=4 3789 B11R0.167 CCC(=O)N(CCCO)C(C)C 527a_100000182298_100000210414 [1,1,0,0,0,0|2,0,0]=4 3790 B11R0.167 CCC(=O)N(CCOC)C(C)C 11a_200000223778_100000210414 [1,1,0,0,0,0|2,0,0]=4 3791 B11R0.167 CCC(=O)N(CCOC)C(C)C 1626a_200000223778_100000210414 [1,1,0,0,0,0|2,0,0]=4 3792 B11R0.167 CCC(=O)N(CCOC)C(C)C 240690a_200000223778_100000210414 [1,1,0,0,0,0|2,0,0]=4 3793 B11R0.167 CCC(=O)N(CCOC)C(C)C 527a_200000223778_100000210414 [1,1,0,0,0,0|2,0,0]=4 3794 B11R0.167 CCCCC(C(=O)C)C(=O)OC 1458a_100000070787_100000750740 [1,1,0,0,0,0|0,0,1]=3 3795 B11R0.167 CCCCC(C(=O)N)C(=O)CC 1458a_100000210414_100000748834 [1,1,0,0,0,0|1,0,1]=4 3796 B11R0.167 CCCCC(C(=O)OC)N(C)C 2230a_100102631434_100000750740 [1,1,0,0,0,0|1,0,0]=3 3797 B11R0.167 CCCCC(C(=O)OC)N(C)C 269982a_100102631434_100000750740 [1,1,0,0,0,0|1,0,0]=3 3798 B11R0.167 CCCCN(C(=O)CC)C(C)C 11a_100000207398_100000210414 [1,1,0,0,0,0|1,0,0]=3 3799 B11R0.167 CCCCN(C(=O)CC)C(C)C 1626a_100000207398_100000210414 [1,1,0,0,0,0|1,0,0]=3 3800 B11R0.167 CCCCN(C(=O)CC)C(C)C 240690a_100000207398_100000210414 [1,1,0,0,0,0|1,0,0]=3 3801 B11R0.167 CCCCN(C(=O)CC)C(C)C 527a_100000207398_100000210414 [1,1,0,0,0,0|1,0,0]=3 3802 B11R0.167 CCCCN(C(=O)CO)C(C)C 240690a_100000207398_100000210174 [1,1,0,0,0,0|2,0,0]=4 3803 B11R0.167 CCCCN(C(=O)CO)C(C)C 527a_100000207398_100000210174 [1,1,0,0,0,0|2,0,0]=4 3804 B11R0.167 CCCCN(C(=O)NC)C(C)C 2708a_100102657272_100000207398 [1,1,0,0,0,0|2,0,0]=4 3805 B11R0.167 CCCCN(C(=O)NC)C(C)C 273464a_100102657272_100000207398 [1,1,0,0,0,0|2,0,0]=4 3806 B11R0.167 CCCNC(C(=O)NC)C(C)C 2230a_100000690981_100000210303 [1,1,0,0,0,0|2,0,0]=4 3807 B11R0.167 CCCNC(C(=O)NC)C(C)C 34a_100000690981_100000210303 [1,1,0,0,0,0|2,0,0]=4 3808 B11R0.167 CCCN[C@H](C(=O)NC)[C@@H](C)O 2230a_100102634413_100000210303 [1,1,0,0,0,0|2,0,0]=4 3809 B11R0.167 CCCN[C@H](C(=O)NC)[C@@H](C)O 34a_100102634413_100000210303 [1,1,0,0,0,0|2,0,0]=4 3810 B11R0.167 CCCOC(C(=O)OC)C(C)C 34a_100000210258_100000736125 [1,1,0,0,0,0|1,0,0]=3 3811 B11R0.167 CCCO[C@@H](C(=O)OC)C(C)C 34a_100009883636_100000210303 [1,1,0,0,0,0|1,0,0]=3 3812 B11R0.167 CCCO[C@@H](C(=O)OC)C(C)C 7a_100009883636_100000210303 [1,1,0,0,0,0|1,0,0]=3 3813 B11R0.167 CCCSC(C(=O)C)C(=O)OC 62a_100000210303_100011215331 [1,1,0,0,0,0|1,0,1]=4 3814 B11R0.167 CCCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210303 [1,1,0,0,0,0|1,0,1]=4 3815 B11R0.167 CCCSC(C(=O)OC)C(C)C 62a_100000210303_100000736125 [1,1,0,0,0,0|1,0,0]=3 3816 B11R0.167 CCCSC(C(=O)OC)C(C)C 62a_100000736125_100000210303 [1,1,0,0,0,0|1,0,0]=3 3817 B11R0.167 COC(=O)C(NCCF)C(C)C 34a_100000724931_100000736125 [1,1,0,0,0,0|2,0,0]=4 3818 B11R0.167 COC(=O)C(NCCO)C(C)C 2230a_100016997473_100000736125 [1,1,0,0,0,0|2,0,0]=4 3819 B11R0.167 COC(=O)C(NCCO)C(C)C 34a_100016990907_100000736125 [1,1,0,0,0,0|2,0,0]=4 3820 B11R0.167 COC(=O)C(OCCBr)C(C)C 34a_100000211926_100000736125 [1,1,0,0,0,0|2,0,0]=4 3821 B11R0.167 COC(=O)C(OCCN)C(C)C 34a_100000210304_100000736125 [1,1,0,0,0,0|2,0,0]=4 3822 B11R0.167 COC(=O)C(SCCF)C(C)C 62a_100000736125_100011217306 [1,1,0,0,0,0|2,0,0]=4 3823 B11R0.167 COC(=O)C(SCCF)C(C)C 62a_100011217306_100000736125 [1,1,0,0,0,0|2,0,0]=4 3824 B11R0.167 COC(=O)C(SCCO)C(C)C 62a_100000211926_100000736125 [1,1,0,0,0,0|2,0,0]=4 3825 B11R0.167 COC(=O)C(SCCO)C(C)C 62a_100000736125_100000211926 [1,1,0,0,0,0|2,0,0]=4 3826 B11R0.167 COC(=O)C(SCSC)C(C)C 62a_100000736125_100011218213 [1,1,0,0,0,0|2,0,0]=4 3827 B11R0.167 COC(=O)C(SCSC)C(C)C 62a_100011218213_100000736125 [1,1,0,0,0,0|2,0,0]=4 3828 B11R0.167 COC(=O)[C@H](OCCF)C(C)C 34a_100009883636_100011217306 [1,1,0,0,0,0|2,0,0]=4 3829 B11R0.167 COC(=O)[C@H](OCCF)C(C)C 7a_100009883636_100011217306 [1,1,0,0,0,0|2,0,0]=4 3830 B11R0.167 COC(=O)[C@H](OCCO)C(C)C 34a_100009883636_100000211926 [1,1,0,0,0,0|2,0,0]=4 3831 B11R0.167 COC(=O)[C@H](OCCO)C(C)C 7a_100009883636_100000211926 [1,1,0,0,0,0|2,0,0]=4 3832 B11R0.167 COC(=O)[C@H](OCSC)C(C)C 34a_100009883636_100011218213 [1,1,0,0,0,0|2,0,0]=4 3833 B11R0.167 COCSC(C(=O)OC)C(C)C 62a_100000736125_100000766300 [1,1,0,0,0,0|2,0,0]=4 3834 B11R0.167 COCSC(C(=O)OC)C(C)C 62a_100000766300_100000736125 [1,1,0,0,0,0|2,0,0]=4 3835 B13R0.26 C=C(C)CCN(CC)CC(=O)OCC 2230a_100000220607_100000730704 [0,1,0,0,0,1|1,0,1]=4 3836 B13R0.26 C=C(C)CCN(CC)CC(=O)OCC 269982a_100000220607_100000730704 [0,1,0,0,0,1|1,0,1]=4 3837 B13R0.26 CCCC(=O)CN(CC)CCC(C)C 2230a_100000207693_100000747444 [0,1,0,0,0,1|2,0,0]=4 3838 B13R0.26 CCCC(=O)CN(CC)CCC(C)C 269982a_100000207693_100000747444 [0,1,0,0,0,1|2,0,0]=4 3839 B13R0.26 CCNC(=O)CN(CC)CCC(C)C 2230a_100000207693_100000183381 [0,1,0,0,0,1|2,0,0]=4 3840 B13R0.26 CCNC(=O)CN(CC)CCC(C)C 269982a_100000207693_100000183381 [0,1,0,0,0,1|2,0,0]=4 3841 B13R0.26 CCOC(=O)CN(CC)CCC(=O)C 269982a_100000220607_100000053229 [0,1,0,0,0,1|1,0,1]=4 3842 B13R0.26 CCOC(=O)CN(CC)CCC(C)C 2230a_100000207693_100000188475 [0,1,0,0,0,1|1,0,0]=3 3843 B13R0.26 CCOC(=O)CN(CC)CCC(C)C 2230a_100000220607_100000210312 [0,1,0,0,0,1|1,0,0]=3 3844 B13R0.26 CCOC(=O)CN(CC)CCC(C)C 269982a_100000207693_100000188475 [0,1,0,0,0,1|1,0,0]=3 3845 B13R0.26 CCOC(=O)CN(CC)CCC(C)C 269982a_100000220607_100000210312 [0,1,0,0,0,1|1,0,0]=3 3846 B13R0.26 CCOC(=O)CN(CC)CCC(C)O 2230a_100000220607_100012276601 [0,1,0,0,0,1|1,0,0]=3 3847 B13R0.26 CCOC(=O)CN(CC)CCC(C)O 269982a_100000220607_100012276601 [0,1,0,0,0,1|1,0,0]=3 3848 B13R0.26 CCOC(=O)CN(CC)CCN(C)C 269982a_100000220607_100000755713 [0,1,0,0,0,1|2,0,0]=4 3849 B13R0.26 CCOC(=O)CN(CC)CCN(C)C 269982a_100000225870_100000188475 [0,1,0,0,0,1|2,0,0]=4 3850 B13R0.26 CCOC(=O)CN(CC)COC(C)C 2230a_100000220607_100000709892 [0,1,0,0,0,1|2,0,0]=4 3851 B13R0.26 CCOC(=O)CN(CC)COC(C)C 269982a_100000220607_100000709892 [0,1,0,0,0,1|2,0,0]=4 3852 B13R0.26 CCOC(=O)C[C@@H](CCl)OCC(C)C 7a_100000688340_100000210760 [0,1,0,0,0,1|2,0,0]=4 3853 B13R0.26 CCOC(=O)C[C@@H](CCl)OCC(C)O 7a_100000688340_100011218427 [0,1,0,0,0,1|2,0,0]=4 3854 B13R0.26 CCOC(=O)C[C@@H](CCl)OC[C@@H](C)O 7a_100000688340_100009817552 [0,1,0,0,0,1|2,0,0]=4 3855 B13R0.28 CCCC(=O)CN(CC)CC(O)CC 2230a_100011365200_100000747444 [0,1,0,0,0,1|2,0,0]=4 3856 B13R0.28 CCCC(=O)CN(CC)CC(O)CC 269982a_100011365200_100000747444 [0,1,0,0,0,1|2,0,0]=4 3857 B13R0.28 CCNC(=O)CN(CC)CC(O)CC 2230a_100011365200_100000183381 [0,1,0,0,0,1|2,0,0]=4 3858 B13R0.28 CCNC(=O)CN(CC)CC(O)CC 269982a_100011365200_100000183381 [0,1,0,0,0,1|2,0,0]=4 3859 B13R0.28 CCOC(=O)CN(CC)CC(=O)CC 269982a_100000220607_100000747405 [0,1,0,0,0,1|1,0,1]=4 3860 B13R0.28 CCOC(=O)CN(CC)CC(C)CC 2230a_100000220607_100000748023 [0,1,0,0,0,1|1,0,0]=3 3861 B13R0.28 CCOC(=O)CN(CC)CC(C)CC 269982a_100000220607_100000748023 [0,1,0,0,0,1|1,0,0]=3 3862 B13R0.28 CCOC(=O)CN(CC)CC(C)CC 270004a_100000220607_100000243153 [0,1,0,0,0,1|1,0,0]=3 3863 B13R0.28 CCOC(=O)CN(CC)CC(O)CC 2230a_100000220607_100011218378 [0,1,0,0,0,1|1,0,0]=3 3864 B13R0.28 CCOC(=O)CN(CC)CC(O)CC 2230a_100011365200_100000188475 [0,1,0,0,0,1|1,0,0]=3 3865 B13R0.28 CCOC(=O)CN(CC)CC(O)CC 269982a_100000220607_100011218378 [0,1,0,0,0,1|1,0,0]=3 3866 B13R0.28 CCOC(=O)CN(CC)CC(O)CC 269982a_100011365200_100000188475 [0,1,0,0,0,1|1,0,0]=3 3867 B13R0.28 CCOC(=O)CN(CC)CC(O)CO 2230a_100000220607_100011219619 [0,1,0,0,0,1|2,0,0]=4 3868 B13R0.28 CCOC(=O)CN(CC)C[C@@H](C)CC 2230a_100000220607_100009816398 [0,1,0,0,0,1|1,0,0]=3 3869 B13R0.28 CCOC(=O)CN(CC)C[C@@H](C)CC 269982a_100000220607_100009816398 [0,1,0,0,0,1|1,0,0]=3 3870 B13R0.28 CCOC(=O)CN(CC)C[C@@H](C)CO 2230a_100000220607_100000059175 [0,1,0,0,0,1|2,0,0]=4 3871 B13R0.28 CCOC(=O)CN(CC)C[C@@H](C)CO 269982a_100000220607_100000059175 [0,1,0,0,0,1|2,0,0]=4 3872 B13R0.28 CCOC(=O)CN(CC)C[C@@H](O)CF 2230a_100000220607_100015614560 [0,1,0,0,0,1|2,0,0]=4 3873 B13R0.28 CCOC(=O)CN(CC)C[C@@H](O)CO 2230a_100000220607_100009815848 [0,1,0,0,0,1|2,0,0]=4 3874 B13R0.28 CCOC(=O)C[C@@H](CCl)OC(C)CC 7a_100000688340_100000758301 [0,1,0,0,0,1|2,0,0]=4 3875 B13R0.114 C#CCCC(=O)CC(CC)CCCC 1458a_100000692101_100000211942 [0,1,0,0,0,1|1,0,1]=4 3876 B13R0.114 C=C(CN(CC)CCCC)OCOC 269982a_100000207695_100000042856 [0,1,0,0,0,1|2,0,0]=4 3877 B13R0.114 C=CCCC(=O)CC(CC)CCCC 1458a_100000749702_100000211942 [0,1,0,0,0,1|1,0,1]=4 3878 B13R0.114 C=CCOC(=O)CN(CC)CCCC 2230a_100000207695_100000033060 [0,1,0,0,0,1|1,0,1]=4 3879 B13R0.114 C=CCOC(=O)CN(CC)CCCC 269982a_100000207695_100000033060 [0,1,0,0,0,1|1,0,1]=4 3880 B13R0.114 CC=CCC(=O)CC(CC)CCCC 1458a_100121576822_100000211942 [0,1,0,0,0,1|1,0,1]=4 3881 B13R0.114 CCC#CC(=O)CC(CC)CCCC 1458a_100011827653_100000211942 [0,1,0,0,0,1|1,0,0]=3 3882 B13R0.114 CCC=CC(=O)CC(CC)CCCC 1458a_100000212282_100000211942 [0,1,0,0,0,1|1,0,0]=3 3883 B13R0.114 CCC=CC(=O)N[C@H](CO)CCCC 240690a_100011934283_100000212282 [0,1,0,0,0,1|2,0,0]=4 3884 B13R0.114 CCCCC(=O)CC(CC)CCCC 1458a_100000210183_100000211942 [0,1,0,0,0,1|1,0,0]=3 3885 B13R0.114 CCCCC(=O)N[C@H](CO)CCCC 240690a_100011934283_100000210183 [0,1,0,0,0,1|2,0,0]=4 3886 B13R0.114 CCCCC(=O)N[C@H](CO)CCCC 527a_100011934283_100000210183 [0,1,0,0,0,1|2,0,0]=4 3887 B13R0.114 CCCCC(CC)CC(=O)C#CCO 1458a_100000049017_100000211942 [0,1,0,0,0,1|1,0,1]=4 3888 B13R0.114 CCCCC(CC)CC(=O)C=COC 1458a_100016268678_100000211942 [0,1,0,0,0,1|1,0,1]=4 3889 B13R0.114 CCCCC(CC)CC(=O)CCC#N 1458a_100011934036_100000211942 [0,1,0,0,0,1|1,0,1]=4 3890 B13R0.114 CCCCC(CC)CC(=O)CCOC 1458a_100000749529_100000211942 [0,1,0,0,0,1|1,0,0]=3 3891 B13R0.114 CCCCC(CC)CC(=O)CCSC 1458a_100000174002_100000211942 [0,1,0,0,0,1|1,0,0]=3 3892 B13R0.114 CCCCC(CC)CC(=O)COCC 1458a_100000211967_100000211942 [0,1,0,0,0,1|0,0,0]=2 3893 B13R0.114 CCCCC(CC)CC(=O)CSCC 1458a_100000230394_100000211942 [0,1,0,0,0,1|0,1,0]=3 3894 B13R0.114 CCCCC(CC)CC(C)OCCC 7a_200011290772_100000210303 [0,1,0,0,0,1|1,0,1]=4 3895 B13R0.114 CCCCC(CC)CC(C)OCCF 7a_200011290772_100011217306 [0,1,0,0,0,1|1,0,1]=4 3896 B13R0.114 CCCCC(CC)CC(C)OCCO 7a_200011290772_100000211926 [0,1,0,0,0,1|1,0,1]=4 3897 B13R0.114 CCCCC(CC)OC(C)COCC 34a_100000718985_200011216223 [0,1,0,0,0,1|1,0,1]=4 3898 B13R0.114 CCCCC(CC)OC(C)COCC 7a_100000718985_200011216223 [0,1,0,0,0,1|1,0,1]=4 3899 B13R0.114 CCCCN(CC)CC(=O)NCCC 2230a_100000207695_100000183358 [0,1,0,0,0,1|2,0,0]=4 3900 B13R0.114 CCCCN(CC)CC(=O)NCCC 269982a_100000207695_100000183358 [0,1,0,0,0,1|2,0,0]=4 3901 B13R0.114 CCCCN(CC)CC(=O)OCCC 2230a_100000207695_200011215008 [0,1,0,0,0,1|1,0,0]=3 3902 B13R0.114 CCCCN(CC)CC(=O)OCCC 269982a_100000207695_200011215008 [0,1,0,0,0,1|1,0,0]=3 3903 B13R0.114 CCCC[C@@H](CO)NC(=O)CCOC 240690a_100011934283_100000749529 [0,1,0,0,0,1|2,0,0]=4 3904 B13R0.114 CCCC[C@@H](CO)NC(=O)CCOC 527a_100011934283_100000749529 [0,1,0,0,0,1|2,0,0]=4 3905 B13R0.114 CCCC[C@@H](CO)NC(=O)CCSC 240690a_100011934283_100000174002 [0,1,0,0,0,1|2,0,0]=4 3906 B13R0.114 CCCC[C@@H](CO)NC(=O)CCSC 527a_100011934283_100000174002 [0,1,0,0,0,1|2,0,0]=4 3907 B13R0.114 CCCC[C@@H](CO)NC(=O)COCC 240690a_100011934283_100000211967 [0,1,0,0,0,1|1,0,0]=3 3908 B13R0.114 CCCC[C@@H](CO)NC(=O)COCC 527a_100011934283_100000211967 [0,1,0,0,0,1|1,0,0]=3 3909 B13R0.114 CCCC[C@@H](CO)NC(=O)CSCC 240690a_100011934283_100000230394 [0,1,0,0,0,1|1,1,0]=4 3910 B13R0.114 CCCC[C@@H](CO)NC(=O)CSCC 527a_100011934283_100000230394 [0,1,0,0,0,1|1,1,0]=4 3911 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCC 2708a_100020643023_100011934283 [0,1,0,0,0,1|2,0,0]=4 3912 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCC 273464a_100011934283_100020643023 [0,1,0,0,0,1|2,0,0]=4 3913 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCC 273464a_100020643023_100011934283 [0,1,0,0,0,1|2,0,0]=4 3914 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCC 512a_100011934283_100020643023 [0,1,0,0,0,1|2,0,0]=4 3915 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCC 512a_100020643023_100011934283 [0,1,0,0,0,1|2,0,0]=4 3916 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCF 273464a_100000724931_100011934283 [0,1,0,0,0,1|2,0,0]=4 3917 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCF 273464a_100011934283_100000724931 [0,1,0,0,0,1|2,0,0]=4 3918 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCF 512a_100011934283_100000724931 [0,1,0,0,0,1|2,0,0]=4 3919 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCO 273464a_100000210304_100011934283 [0,1,0,0,0,1|2,0,0]=4 3920 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCO 273464a_100011934283_100000210304 [0,1,0,0,0,1|2,0,0]=4 3921 B13R0.114 CCCC[C@@H](CO)NC(=O)NCCO 512a_100011934283_100000210304 [0,1,0,0,0,1|2,0,0]=4 3922 B13R0.114 CCCC[C@@H](CO)NC(=O)NNCC 273464a_100011934283_100000756455 [0,1,0,0,0,1|2,0,0]=4 3923 B13R0.114 CCCC[C@@H](CO)NC(=O)NNCC 512a_100000756455_100011934283 [0,1,0,0,0,1|2,0,0]=4 3924 B13R0.114 CCCC[C@@H](CO)NC(=O)NNCC 512a_100011934283_100000756455 [0,1,0,0,0,1|2,0,0]=4 3925 B13R0.114 CCCOC(=O)CN(CC)CCOC 2230a_100000731262_200011215008 [0,1,0,0,0,1|2,0,0]=4 3926 B13R0.114 CCCOC(=O)CN(CC)CCOC 269982a_100000731262_200011215008 [0,1,0,0,0,1|2,0,0]=4 3927 B13R0.114 CCOCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000211967 [0,1,0,0,0,1|2,0,0]=4 3928 B13R0.114 CCOCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000211967 [0,1,0,0,0,1|2,0,0]=4 3929 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 11a_100000220607_100000211992 [0,1,0,0,0,1|1,0,1]=4 3930 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 1626a_100000220607_100000211992 [0,1,0,0,0,1|1,0,1]=4 3931 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 240690a_100000220607_100000211992 [0,1,0,0,0,1|1,0,1]=4 3932 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 527a_100000220607_100000211992 [0,1,0,0,0,1|1,0,1]=4 3933 B13R0.225 CCCC(C)N(CC)CC(=O)OCC 2230a_100000220607_100000766640 [0,1,0,0,0,1|1,0,0]=3 3934 B13R0.225 CCCC(C)N(CC)CC(=O)OCC 269982a_100000220607_100000766640 [0,1,0,0,0,1|1,0,0]=3 3935 B13R0.225 CCCC(C)N(CC)CC(=O)OCC 270004a_100000220607_100000211909 [0,1,0,0,0,1|1,0,0]=3 3936 B13R0.225 CCOC(=O)CN(CC)C(C)CCO 2230a_100000220607_100009893172 [0,1,0,0,0,1|2,0,0]=4 3937 B13R0.225 CCOC(=O)CN(CC)C(C)CCO 2230a_100011935059_100000188475 [0,1,0,0,0,1|2,0,0]=4 3938 B13R0.225 CCOC(=O)CN(CC)C(C)CCO 269982a_100000220607_100009893172 [0,1,0,0,0,1|2,0,0]=4 3939 B13R0.225 CCOC(=O)CN(CC)C(C)CCO 269982a_100011935059_100000188475 [0,1,0,0,0,1|2,0,0]=4 3940 B13R0.225 CCOC(=O)CN(CC)C(C)COC 2230a_100000220607_100000765312 [0,1,0,0,0,1|2,0,0]=4 3941 B13R0.225 CCOC(=O)CN(CC)C(C)COC 269982a_100000220607_100000765312 [0,1,0,0,0,1|2,0,0]=4 3942 B13R0.225 CCOC(=O)CN(CC)C(C)COC 270004a_100000220607_100000749346 [0,1,0,0,0,1|2,0,0]=4 3943 B13R0.225 CCOC(=O)CN(CC)C(C)CSC 270004a_100000220607_100011216314 [0,1,0,0,0,1|2,0,0]=4 3944 B13R0.522 CCCC(CC(=O)OCC)OCCF 7a_100011216533_100011217306 [0,1,0,0,0,1|2,0,0]=4 3945 B13R0.522 CCCC(CC(=O)OCC)OCCO 7a_100011216533_100000211926 [0,1,0,0,0,1|2,0,0]=4 3946 B13R0.522 CCCCN(CC#N)CC(=O)OCC 2230a_200011192266_100000188475 [0,1,0,0,0,1|1,0,1]=4 3947 B13R0.522 CCCCN(CCC)CC(=O)CCC 2230a_200000207744_100000747444 [0,1,0,0,0,1|2,0,0]=4 3948 B13R0.522 CCCCN(CCC)CC(=O)CCC 269982a_200000207744_100000747444 [0,1,0,0,0,1|2,0,0]=4 3949 B13R0.522 CCCCN(CCC)CC(=O)NCC 2230a_200000207744_100000183381 [0,1,0,0,0,1|2,0,0]=4 3950 B13R0.522 CCCCN(CCC)CC(=O)NCC 269982a_200000207744_100000183381 [0,1,0,0,0,1|2,0,0]=4 3951 B13R0.522 CCCCN(CCC)CC(=O)OCC 2230a_100000221057_100000210211 [0,1,0,0,0,1|1,0,0]=3 3952 B13R0.522 CCCCN(CCC)CC(=O)OCC 2230a_200000207744_100000188475 [0,1,0,0,0,1|1,0,0]=3 3953 B13R0.522 CCCCN(CCC)CC(=O)OCC 269982a_100000221057_100000210211 [0,1,0,0,0,1|1,0,0]=3 3954 B13R0.522 CCCCN(CCC)CC(=O)OCC 269982a_200000207744_100000188475 [0,1,0,0,0,1|1,0,0]=3 3955 B13R0.522 CCCCN(CCO)CC(=O)CCC 2230a_100000198060_100000747444 [0,1,0,0,0,1|2,0,0]=4 3956 B13R0.522 CCCCN(CCO)CC(=O)CCC 269982a_100000198060_100000747444 [0,1,0,0,0,1|2,0,0]=4 3957 B13R0.522 CCCCN(CCO)CC(=O)NCC 2230a_100000198060_100000183381 [0,1,0,0,0,1|2,0,0]=4 3958 B13R0.522 CCCCN(CCO)CC(=O)NCC 269982a_100000198060_100000183381 [0,1,0,0,0,1|2,0,0]=4 3959 B13R0.522 CCCCN(CCO)CC(=O)OCC 2230a_100000198060_100000188475 [0,1,0,0,0,1|1,0,0]=3 3960 B13R0.522 CCCCN(CCO)CC(=O)OCC 269982a_100000198060_100000188475 [0,1,0,0,0,1|1,0,0]=3 3961 B13R0.522 CCCN(CCCF)CC(=O)OCC 2230a_100000221057_100011934791 [0,1,0,0,0,1|2,0,0]=4 3962 B13R0.522 CCCN(CCCF)CC(=O)OCC 269982a_100000221057_100011934791 [0,1,0,0,0,1|2,0,0]=4 3963 B13R0.522 CCCN(CCCO)CC(=O)OCC 2230a_100000221057_100000230001 [0,1,0,0,0,1|2,0,0]=4 3964 B13R0.522 CCCN(CCCO)CC(=O)OCC 269982a_100000221057_100011215043 [0,1,0,0,0,1|2,0,0]=4 3965 B13R0.522 CCCN(CCOC)CC(=O)OCC 2230a_100000221057_100011201679 [0,1,0,0,0,1|2,0,0]=4 3966 B13R0.522 CCCN(CCOC)CC(=O)OCC 2230a_200011192371_100000188475 [0,1,0,0,0,1|2,0,0]=4 3967 B13R0.522 CCCN(CCOC)CC(=O)OCC 269982a_100000221057_100000233755 [0,1,0,0,0,1|2,0,0]=4 3968 B13R0.522 CCCN(CCOC)CC(=O)OCC 269982a_200011192371_100000188475 [0,1,0,0,0,1|2,0,0]=4 3969 B13R0.522 CCCN(CCSC)CC(=O)OCC 2230a_100000221057_100000751147 [0,1,0,0,0,1|2,0,0]=4 3970 B13R0.522 CCCN(CCSC)CC(=O)OCC 269982a_100000221057_100000212216 [0,1,0,0,0,1|2,0,0]=4 3971 B13R0.522 CCCN(COCC)CC(=O)OCC 269982a_100000221057_100000739092 [0,1,0,0,0,1|2,0,0]=4 3972 B13R0.522 CCCOC(CCC)CC(=O)OCC 7a_100011216533_100000210303 [0,1,0,0,0,1|1,0,0]=3 3973 B13R0.522 CCNC/C(=C/C(=O)OCC)/OCC 2230a_100015525214_200020608044 [0,1,0,0,0,1|1,0,1]=4 3974 B13R0.522 CCNC/C(=C\C(=O)OCC)/OCC 2230a_100015525214_100015292811 [0,1,0,0,0,1|1,0,1]=4 3975 B13R0.522 CCOC(=O)/C=C(/CSCC)\OCC 62a_100000210202_200020608044 [0,1,0,0,0,1|1,0,1]=4 3976 B13R0.522 CCOC(=O)/C=C(\CSCC)/OCC 62a_100000210202_100015292811 [0,1,0,0,0,1|1,0,1]=4 3977 B13R0.522 CCOC(=O)CN(CCO)CCCO 2230a_200000212863_100000188475 [0,1,0,0,0,1|2,0,0]=4 3978 B13R0.522 CCOC(=O)CN(CCO)CCCO 269982a_200000212863_100000188475 [0,1,0,0,0,1|2,0,0]=4 3979 B13R0.522 CCOC/C(=C/C(=O)OCC)/OCC 34a_100121572206_200020608044 [0,1,0,0,0,1|1,0,1]=4 3980 B13R0.522 CCOC/C(=C\C(=O)OCC)/OCC 34a_100121572206_100015292811 [0,1,0,0,0,1|1,0,1]=4 3981 B13R0.1051 C#CCCCN(CC)CC(=O)OCC 2230a_100000220607_100000731252 [0,1,0,0,0,1|1,0,1]=4 3982 B13R0.1051 C#CCCCN(CC)CC(=O)OCC 269982a_100000220607_100011215417 [0,1,0,0,0,1|1,0,1]=4 3983 B13R0.1051 C=CCCCN(CC)CC(=O)OCC 2230a_100000220607_100011713584 [0,1,0,0,0,1|1,0,1]=4 3984 B13R0.1051 C=CCCCN(CC)CC(=O)OCC 269982a_100000220607_100000757094 [0,1,0,0,0,1|1,0,1]=4 3985 B13R0.1051 CC/C=C\CN(CC)CC(=O)OCC 2230a_100000220607_100103147603 [0,1,0,0,0,1|1,0,1]=4 3986 B13R0.1051 CC/C=C\CN(CC)CC(=O)OCC 269982a_100000220607_100103147603 [0,1,0,0,0,1|1,0,1]=4 3987 B13R0.1051 CCC#CCN(CC)CC(=O)OCC 2230a_100000220607_100009813939 [0,1,0,0,0,1|1,0,1]=4 3988 B13R0.1051 CCCC(=O)CN(CC)CCCCO 2230a_100011217355_100000747444 [0,1,0,0,0,1|2,0,0]=4 3989 B13R0.1051 CCCC(=O)CN(CC)CCCCO 269982a_100011217355_100000747444 [0,1,0,0,0,1|2,0,0]=4 3990 B13R0.1051 CCCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210326 [0,1,0,0,0,1|1,0,0]=3 3991 B13R0.1051 CCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210215 [0,1,0,0,0,1|1,0,0]=3 3992 B13R0.1051 CCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210211 [0,1,0,0,0,1|1,0,0]=3 3993 B13R0.1051 CCCNN=C(CC)CC(=O)OCC 4a_100000740057_100000758052 [0,1,0,0,0,1|1,0,1]=4 3994 B13R0.1051 CCNC(=O)CN(CC)CCCCO 2230a_100011217355_100000183381 [0,1,0,0,0,1|2,0,0]=4 3995 B13R0.1051 CCNC(=O)CN(CC)CCCCO 269982a_100011217355_100000183381 [0,1,0,0,0,1|2,0,0]=4 3996 B13R0.1051 CCOC(=O)CN(CC)CCCC#N 2230a_100000220607_100000687738 [0,1,0,0,0,1|1,0,1]=4 3997 B13R0.1051 CCOC(=O)CN(CC)CCCC#N 269982a_100000220607_100000687738 [0,1,0,0,0,1|1,0,1]=4 3998 B13R0.1051 CCOC(=O)CN(CC)CCCC=O 2230a_100000220607_200011292268 [0,1,0,0,0,1|1,0,1]=4 3999 B13R0.1051 CCOC(=O)CN(CC)CCCC=O 269982a_100000220607_200011292268 [0,1,0,0,0,1|1,0,1]=4 4000 B13R0.1051 CCOC(=O)CN(CC)CCCCF 2230a_100000220607_100000729493 [0,1,0,0,0,1|1,0,0]=3 4001 B13R0.1051 CCOC(=O)CN(CC)CCCCF 269982a_100000220607_100000729493 [0,1,0,0,0,1|1,0,0]=3 4002 B13R0.1051 CCOC(=O)CN(CC)CCCCO 2230a_100000220607_100000210776 [0,1,0,0,0,1|1,0,0]=3 4003 B13R0.1051 CCOC(=O)CN(CC)CCCCO 2230a_100011217355_100000188475 [0,1,0,0,0,1|1,0,0]=3 4004 B13R0.1051 CCOC(=O)CN(CC)CCCCO 269982a_100000220607_100000210776 [0,1,0,0,0,1|1,0,0]=3 4005 B13R0.1051 CCOC(=O)CN(CC)CCCCO 269982a_100011217355_100000188475 [0,1,0,0,0,1|1,0,0]=3 4006 B13R0.1051 CCOC(=O)CN(CC)CCCOC 2230a_100000220607_100000740836 [0,1,0,0,0,1|1,0,0]=3 4007 B13R0.1051 CCOC(=O)CN(CC)CCCOC 269982a_100000220607_100000740836 [0,1,0,0,0,1|1,0,0]=3 4008 B13R0.1051 CCOC(=O)CN(CC)CCSCC 2230a_100000220607_100000757381 [0,1,0,0,0,1|1,0,0]=3 4009 B13R0.1051 CCOC(=O)CN(CC)CCSCC 269982a_100000220607_100000757381 [0,1,0,0,0,1|1,0,0]=3 4010 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCCF 7a_100000688340_100011934791 [0,1,0,0,0,1|2,0,0]=4 4011 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCCO 7a_100000688340_100011215043 [0,1,0,0,0,1|2,0,0]=4 4012 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCOC 7a_100000688340_100000233755 [0,1,0,0,0,1|2,0,0]=4 4013 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCSC 7a_100000688340_100000212216 [0,1,0,0,0,1|2,0,0]=4 4014 B13R0.1051 CCOCCN(CC)CC(=O)OCC 2230a_100000220607_100011215890 [0,1,0,0,0,1|1,0,0]=3 4015 B13R0.1051 CCOCCN(CC)CC(=O)OCC 269982a_100000220607_100011215890 [0,1,0,0,0,1|1,0,0]=3 4016 B13R0.1186 CCCCC(CC)CC(=O)C=C(C)C 1458a_100000211388_100000211942 [0,1,0,0,0,1|1,0,1]=4 4017 B13R0.1186 CCCCC(CC)CC(=O)C=C(C)Cl 1458a_200042562850_100000211942 [0,1,0,0,0,1|1,0,1]=4 4018 B13R0.1186 CCCCC(CC)CC(=O)C=C(C)I 1458a_100025716642_100000211942 [0,1,0,0,0,1|1,0,1]=4 4019 B13R0.1186 CCCCC(CC)CC(=O)CC(C)C 1458a_100000210554_100000211942 [0,1,0,0,0,1|1,0,0]=3 4020 B13R0.1186 CCCCC(CC)CC(=O)CN(C)C 1458a_100000750896_100000211942 [0,1,0,0,0,1|2,0,0]=4 4021 B13R0.1186 CCCCC(CC)CC(=O)C[C@@H](C)O 1458a_100011933948_100000211942 [0,1,0,0,0,1|1,0,0]=3 4022 B13R0.1186 CCCCC(CC)CC(=O)C[S+](C)C 1458a_200159257847_100000211942 [0,1,0,0,0,1|2,0,0]=4 4023 B13R0.1186 CCCCC(CC)CC(C)OC(C)C 7a_200011290772_100000210206 [0,1,0,0,0,1|1,0,1]=4 4024 B13R0.1186 CCCCN(CC)CC(=O)NC(C)C 2230a_100000207695_100000183996 [0,1,0,0,0,1|2,0,0]=4 4025 B13R0.1186 CCCCN(CC)CC(=O)NC(C)C 269982a_100000207695_100000183996 [0,1,0,0,0,1|2,0,0]=4 4026 B13R0.1186 CCCCN(CC)CC(=O)OC(C)C 2230a_100000207695_100011215430 [0,1,0,0,0,1|1,0,0]=3 4027 B13R0.1186 CCCCN(CC)CC(=O)OC(C)C 269982a_100000207695_100011215430 [0,1,0,0,0,1|1,0,0]=3 4028 B13R0.1186 CCCC[C@@H](CO)NC(=O)CC(C)C 240690a_100011934283_100000210554 [0,1,0,0,0,1|2,0,0]=4 4029 B13R0.1186 CCCC[C@@H](CO)NC(=O)CC(C)C 527a_100011934283_100000210554 [0,1,0,0,0,1|2,0,0]=4 4030 B13R0.1186 CCCC[C@@H](CO)NC(=O)C[C@@H](C)O 240690a_100011934283_100011933948 [0,1,0,0,0,1|2,0,0]=4 4031 B13R0.1186 CCCC[C@@H](CO)NC(=O)NC(C)C 2708a_100138425928_100011934283 [0,1,0,0,0,1|2,0,0]=4 4032 B13R0.1186 CCCC[C@@H](CO)NC(=O)NC(C)C 273464a_100138425928_100011934283 [0,1,0,0,0,1|2,0,0]=4 4033 B13R0.1186 CCCC[C@@H](CO)NC(=O)NC(C)C 512a_100011934283_100138425928 [0,1,0,0,0,1|2,0,0]=4 4034 B13R0.1186 CCCC[C@@H](CO)NC(=O)NC(C)C 512a_100138425928_100011934283 [0,1,0,0,0,1|2,0,0]=4 4035 B13R0.1186 CCN(CCOC)CC(=O)OC(C)C 2230a_100000731262_100011215430 [0,1,0,0,0,1|2,0,0]=4 4036 B13R0.1186 CCN(CCOC)CC(=O)OC(C)C 269982a_100000731262_100011215430 [0,1,0,0,0,1|2,0,0]=4 4037 B13R0.1189 CC/C=C(\C)/C(=O)C(CC)CCCC 1458a_100016988807_200011216223 [0,1,0,0,0,1|2,0,0]=4 4038 B13R0.1189 CCCCC(CC)C(=O)C(=O)NCC 1458a_200011297158_200011216223 [0,1,0,0,0,1|1,0,0]=3 4039 B13R0.1189 CCCCC(CC)C(=O)C(C)OCC 1458a_100000739345_200011216223 [0,1,0,0,0,1|1,0,1]=4 4040 B13R0.1189 CCCCN(CC)C(=O)C(=O)NCC 1626a_100000207695_200011297158 [0,1,0,0,0,1|2,0,0]=4 4041 B13R0.1189 CCCCN(CC)C(=O)C(=O)NCC 240690a_100000207695_200011297158 [0,1,0,0,0,1|2,0,0]=4 4042 B13R0.1189 CCCCN(CC)C(=O)C(=O)NCC 527a_100000207695_200011297158 [0,1,0,0,0,1|2,0,0]=4 4043 B13R0.1189 CCCCN(CC)C(=O)C(=O)OCC 11a_100000207695_100014798877 [0,1,0,0,0,1|1,0,0]=3 4044 B13R0.1189 CCCCN(CC)C(=O)C(=O)OCC 1626a_100000207695_100014798877 [0,1,0,0,0,1|1,0,0]=3 4045 B13R0.1189 CCCCN(CC)C(=O)C(=O)OCC 240690a_100000207695_100014798877 [0,1,0,0,0,1|1,0,0]=3 4046 B13R0.1189 CCCCN(CC)C(C)C(=O)NCC 2230a_100000207695_100000230173 [0,1,0,0,0,1|2,0,0]=4 4047 B13R0.1189 CCCCN(CC)C(C)C(=O)NCC 269982a_100000207695_100000230173 [0,1,0,0,0,1|2,0,0]=4 4048 B13R0.1189 CCCCN(CC)C(C)C(=O)OCC 2230a_100000207695_100011215307 [0,1,0,0,0,1|1,0,0]=3 4049 B13R0.1189 CCCCN(CC)C(C)C(=O)OCC 269982a_100000207695_100011216346 [0,1,0,0,0,1|1,0,0]=3 4050 B13R0.1189 CCCCN(CC)C(F)C(=O)OCC 2230a_100000207695_100000760018 [0,1,0,0,0,1|1,0,0]=3 4051 B13R0.1189 CCCCN(CC)C(F)C(=O)OCC 269982a_100000207695_100000760018 [0,1,0,0,0,1|1,0,0]=3 4052 B13R0.1189 CCCSC(CC)C(=O)C(=O)OCC 62a_100000210303_200010191611 [0,1,0,0,0,1|1,0,0]=3 4053 B13R0.1189 CCCSC(CC)C(=O)C(=O)OCC 62a_200010191611_100000210303 [0,1,0,0,0,1|1,0,0]=3 4054 B13R0.1189 CCOC(=O)C(=O)C(CC)SCCF 62a_100011217306_200010191611 [0,1,0,0,0,1|2,0,0]=4 4055 B13R0.1189 CCOC(=O)C(=O)C(CC)SCCF 62a_200010191611_100011217306 [0,1,0,0,0,1|2,0,0]=4 4056 B13R0.1189 CCOC(=O)C(=O)C(CC)SCCO 62a_100000211926_200010191611 [0,1,0,0,0,1|2,0,0]=4 4057 B13R0.1189 CCOC(=O)C(=O)C(CC)SCCO 62a_200010191611_100000211926 [0,1,0,0,0,1|2,0,0]=4 4058 B13R0.1189 CCOC(=O)C(=O)C(CC)SCOC 62a_100000766300_200010191611 [0,1,0,0,0,1|2,0,0]=4 4059 B13R0.1189 CCOC(=O)C(=O)C(CC)SCOC 62a_200010191611_100000766300 [0,1,0,0,0,1|2,0,0]=4 4060 B13R0.1189 CCOC(=O)C(=O)C(CC)SCSC 62a_100011218213_200010191611 [0,1,0,0,0,1|2,0,0]=4 4061 B13R0.1189 CCOC(=O)C(=O)C(CC)SCSC 62a_200010191611_100011218213 [0,1,0,0,0,1|2,0,0]=4 4062 B13R0.1189 CCOC(=O)C(=O)N(CC)CCOC 11a_100000731262_100014798877 [0,1,0,0,0,1|2,0,0]=4 4063 B13R0.1189 CCOC(=O)C(=O)N(CC)CCOC 1626a_100000731262_100014798877 [0,1,0,0,0,1|2,0,0]=4 4064 B13R0.1189 CCOC(=O)C(=O)N(CC)CCOC 240690a_100000731262_100014798877 [0,1,0,0,0,1|2,0,0]=4 4065 B13R0.1189 CCOC(=O)C(C)N(CC)CCOC 2230a_100000731262_100011215307 [0,1,0,0,0,1|2,0,0]=4 4066 B13R0.1189 CCOC(=O)C(C)N(CC)CCOC 269982a_100000731262_100011216346 [0,1,0,0,0,1|2,0,0]=4 4067 B13R0.1189 CCOC(=O)C(F)N(CC)CCOC 2230a_100000731262_100000760018 [0,1,0,0,0,1|2,0,0]=4 4068 B13R0.1189 CCOC(=O)C(F)N(CC)CCOC 269982a_100000731262_100000760018 [0,1,0,0,0,1|2,0,0]=4 4069 B13R0.1194 CCCCC(CC)CC(CC)OCC 7a_200011216132_100000210202 [0,1,0,0,0,1|1,0,1]=4 4070 B13R0.1197 C/C=C(\C)/C(=O)CC(CC)CCCC 1458a_100020587367_100000211942 [0,1,0,0,0,1|1,0,1]=4 4071 B13R0.1197 CCCCC(CC)CC(=O)C(=O)NC 1458a_100011218921_100000211942 [0,1,0,0,0,1|2,0,0]=4 4072 B13R0.1197 CCCCC(CC)CC(=O)C(C)CC 1458a_100011192722_100000211942 [0,1,0,0,0,1|1,0,0]=3 4073 B13R0.1197 CCCCC(CC)CC(=O)C(C)OC 1458a_100000743197_100000211942 [0,1,0,0,0,1|2,0,0]=4 4074 B13R0.1197 CCCCC(CC)CC(=O)C(C)SC 1458a_100000149566_100000211942 [0,1,0,0,0,1|2,0,0]=4 4075 B13R0.1197 CCCCC(CC)CC(=O)C(O)CC 1458a_100011196387_100000211942 [0,1,0,0,0,1|1,0,0]=3 4076 B13R0.1197 CCCCC(CC)CC(=O)C(O)CO 1458a_100011215603_100000211942 [0,1,0,0,0,1|2,0,0]=4 4077 B13R0.1197 CCCCN(CC)CC(=O)N(C)CC 2230a_100000207695_100000738999 [0,1,0,0,0,1|2,0,0]=4 4078 B13R0.1197 CCCCN(CC)CC(=O)N(C)CC 269982a_100000207695_100000738999 [0,1,0,0,0,1|2,0,0]=4 4079 B13R0.1197 CCCC[C@@H](CO)NC(=O)C(C)CC 240690a_100011934283_100011192722 [0,1,0,0,0,1|2,0,0]=4 4080 B13R0.1197 CCCC[C@@H](CO)NC(=O)C(C)CC 527a_100011934283_100011192722 [0,1,0,0,0,1|2,0,0]=4 4081 B13R0.1197 CCCC[C@@H](CO)NC(=O)C(O)CC 240690a_100011934283_100011196387 [0,1,0,0,0,1|2,0,0]=4 4082 B13R0.1197 CCCC[C@@H](CO)NC(=O)N(C)CC 273464a_100011934283_100000225621 [0,1,0,0,0,1|2,0,0]=4 4083 B13R0.1306 CCCCN(CC(=O)CCC)C(C)C 2230a_100000207398_100000747444 [0,1,0,0,0,1|2,0,0]=4 4084 B13R0.1306 CCCCN(CC(=O)CCC)C(C)C 269982a_100000207398_100000747444 [0,1,0,0,0,1|2,0,0]=4 4085 B13R0.1306 CCCCN(CC(=O)NCC)C(C)C 2230a_100000207398_100000183381 [0,1,0,0,0,1|2,0,0]=4 4086 B13R0.1306 CCCCN(CC(=O)NCC)C(C)C 269982a_100000207398_100000183381 [0,1,0,0,0,1|2,0,0]=4 4087 B13R0.1306 CCCCN(CC(=O)OCC)C(C)C 2230a_100000207398_100000188475 [0,1,0,0,0,1|1,0,0]=3 4088 B13R0.1306 CCCCN(CC(=O)OCC)C(C)C 2230a_100000717205_100000210211 [0,1,0,0,0,1|1,0,0]=3 4089 B13R0.1306 CCCCN(CC(=O)OCC)C(C)C 269982a_100000207398_100000188475 [0,1,0,0,0,1|1,0,0]=3 4090 B13R0.1306 CCCCN(CC(=O)OCC)C(C)C 269982a_100000717205_100000210211 [0,1,0,0,0,1|1,0,0]=3 4091 B13R0.1306 CCOC(=O)CN(CCCF)C(C)C 2230a_100000717205_100011934791 [0,1,0,0,0,1|2,0,0]=4 4092 B13R0.1306 CCOC(=O)CN(CCCF)C(C)C 269982a_100000717205_100011934791 [0,1,0,0,0,1|2,0,0]=4 4093 B13R0.1306 CCOC(=O)CN(CCCO)C(C)C 2230a_100000182298_100000188475 [0,1,0,0,0,1|2,0,0]=4 4094 B13R0.1306 CCOC(=O)CN(CCCO)C(C)C 2230a_100000717205_100000230001 [0,1,0,0,0,1|2,0,0]=4 4095 B13R0.1306 CCOC(=O)CN(CCCO)C(C)C 269982a_100000182298_100000188475 [0,1,0,0,0,1|2,0,0]=4 4096 B13R0.1306 CCOC(=O)CN(CCCO)C(C)C 269982a_100000717205_100011215043 [0,1,0,0,0,1|2,0,0]=4 4097 B13R0.1306 CCOC(=O)CN(CCOC)C(C)C 2230a_100000717205_100011201679 [0,1,0,0,0,1|2,0,0]=4 4098 B13R0.1306 CCOC(=O)CN(CCOC)C(C)C 2230a_200000223778_100000188475 [0,1,0,0,0,1|2,0,0]=4 4099 B13R0.1306 CCOC(=O)CN(CCOC)C(C)C 269982a_100000717205_100000233755 [0,1,0,0,0,1|2,0,0]=4 4100 B13R0.1306 CCOC(=O)CN(CCOC)C(C)C 269982a_200000223778_100000188475 [0,1,0,0,0,1|2,0,0]=4 4101 B13R0.1306 CCOC(=O)CN(CCSC)C(C)C 2230a_100000717205_100000751147 [0,1,0,0,0,1|2,0,0]=4 4102 B13R0.1306 CCOC(=O)CN(CCSC)C(C)C 269982a_100000717205_100000212216 [0,1,0,0,0,1|2,0,0]=4 4103 B13R0.1306 CCOCN(CC(=O)OCC)C(C)C 269982a_100000717205_100000739092 [0,1,0,0,0,1|2,0,0]=4 4104 B13R0.7 CCCN(CC)C(CC)C(=O)OCC 2230a_100000226822_100000212269 [0,2,0,0,0,0|1,0,0]=3 4105 B13R0.7 CCCN(CC)C(CC)C(=O)OCC 269982a_100000226822_100000212269 [0,2,0,0,0,0|1,0,0]=3 4106 B13R0.7 CCCN(CC)C(SC)C(=O)OCC 269982a_100000226822_100009893047 [0,2,0,0,0,0|2,0,0]=4 4107 B13R0.7 CCOC(=O)C(CC)N(CC)CCO 2230a_100000210973_100000212269 [0,2,0,0,0,0|2,0,0]=4 4108 B13R0.7 CCOC(=O)C(CC)N(CC)CCO 269982a_100000210973_100000212269 [0,2,0,0,0,0|2,0,0]=4 4109 B13R0.8 CCOC(=O)C(CC)C(=O)C(C)CC 1458a_100011192722_100000212269 [0,2,0,0,0,0|0,0,1]=3 4110 B13R0.8 CCOC(=O)C(CC)C(=O)C(C)OC 1458a_100000743197_100000212269 [0,2,0,0,0,0|1,0,1]=4 4111 B13R0.8 CCOC(=O)C(CC)C(=O)C(C)SC 1458a_100000149566_100000212269 [0,2,0,0,0,0|1,0,1]=4 4112 B13R0.8 CCOC(=O)C(CC)C(=O)C(O)CC 1458a_100011196387_100000212269 [0,2,0,0,0,0|0,0,1]=3 4113 B13R0.8 CCOC(=O)C(CC)C(=O)C(O)CO 1458a_100011215603_100000212269 [0,2,0,0,0,0|1,0,1]=4 4114 B13R0.8 CCOC(=O)C(CC)N(C)C(C)CC 2230a_100000741768_100000212269 [0,2,0,0,0,0|1,0,0]=3 4115 B13R0.8 CCOC(=O)C(CC)N(C)C(C)CC 269982a_100000741768_100000212269 [0,2,0,0,0,0|1,0,0]=3 4116 B13R0.8 CCOC(=O)C(CC)N(C)C(C)CO 2230a_100000693034_100000212269 [0,2,0,0,0,0|2,0,0]=4 4117 B13R0.8 CCOC(=O)C(CC)N(C)C(C)CO 269982a_100000693034_100000212269 [0,2,0,0,0,0|2,0,0]=4 4118 B13R0.8 CCOC(=O)C(SC)C(=O)C(C)CC 1458a_100011192722_100009893047 [0,2,0,0,0,0|1,0,1]=4 4119 B13R0.8 CCOC(=O)C(SC)C(=O)C(O)CC 1458a_100011196387_100009893047 [0,2,0,0,0,0|1,0,1]=4 4120 B13R0.8 CCOC(=O)C(SC)N(C)C(C)CC 269982a_100000741768_100009893047 [0,2,0,0,0,0|2,0,0]=4 4121 B13R0.387 C#CCCC(=O)C(CC)C(=O)OCC 1458a_100000692101_100000212269 [0,2,0,0,0,0|0,0,2]=4 4122 B13R0.387 C=CCCC(=O)C(CC)C(=O)OCC 1458a_100000749702_100000212269 [0,2,0,0,0,0|0,0,2]=4 4123 B13R0.387 C=CCCN(C)C(CC)C(=O)OCC 2230a_100020639649_100000212269 [0,2,0,0,0,0|0,0,2]=4 4124 B13R0.387 C=CCCN(C)C(CC)C(=O)OCC 269982a_100020639649_100000212269 [0,2,0,0,0,0|0,0,2]=4 4125 B13R0.387 CC=CCC(=O)C(CC)C(=O)OCC 1458a_100121576822_100000212269 [0,2,0,0,0,0|0,0,2]=4 4126 B13R0.387 CCC#CC(=O)C(CC)C(=O)OCC 1458a_100011827653_100000212269 [0,2,0,0,0,0|0,0,2]=4 4127 B13R0.387 CCC=CC(=O)C(CC)C(=O)OCC 1458a_100000212282_100000212269 [0,2,0,0,0,0|0,0,2]=4 4128 B13R0.387 CCCCC(=O)C(CC)C(=O)OCC 1458a_100000210183_100000212269 [0,2,0,0,0,0|0,0,0]=2 4129 B13R0.387 CCCCC(=O)C(SC)C(=O)OCC 1458a_100000210183_100009893047 [0,2,0,0,0,0|1,0,0]=3 4130 B13R0.387 CCCCN(C)C(CC)C(=O)OCC 2230a_100000207549_100000212269 [0,2,0,0,0,0|0,0,0]=2 4131 B13R0.387 CCCCN(C)C(CC)C(=O)OCC 269982a_100000207549_100000212269 [0,2,0,0,0,0|0,0,0]=2 4132 B13R0.387 CCCCN(C)C(SC)C(=O)OCC 269982a_100000207549_100009893047 [0,2,0,0,0,0|1,0,0]=3 4133 B13R0.387 CCCNC(=O)C(CC)C(=O)CCC 1458a_100000211992_200011763335 [0,2,0,0,0,0|1,0,1]=4 4134 B13R0.387 CCCNC(=O)C(CC)N(C)CCC 2230a_100000747261_200011763335 [0,2,0,0,0,0|2,0,0]=4 4135 B13R0.387 CCCNC(=O)C(CC)N(C)CCC 269982a_100000747261_200011763335 [0,2,0,0,0,0|2,0,0]=4 4136 B13R0.387 CCNN=C(C)C(CC)C(=O)OCC 4a_100000756455_100000210620 [0,2,0,0,0,0|1,0,1]=4 4137 B13R0.387 CCOC(=O)C(CC)C(=O)CCC#N 1458a_100011934036_100000212269 [0,2,0,0,0,0|0,0,2]=4 4138 B13R0.387 CCOC(=O)C(CC)C(=O)CCOC 1458a_100000749529_100000212269 [0,2,0,0,0,0|0,0,1]=3 4139 B13R0.387 CCOC(=O)C(CC)C(=O)CCSC 1458a_100000174002_100000212269 [0,2,0,0,0,0|0,0,1]=3 4140 B13R0.387 CCOC(=O)C(CC)C(=O)CSCC 1458a_100000230394_100000212269 [0,2,0,0,0,0|0,0,1]=3 4141 B13R0.387 CCOC(=O)C(CC)N(C)CCC#N 2230a_100000184479_100000212269 [0,2,0,0,0,0|1,0,1]=4 4142 B13R0.387 CCOC(=O)C(CC)N(C)CCCO 2230a_100000213112_100000212269 [0,2,0,0,0,0|1,0,0]=3 4143 B13R0.387 CCOC(=O)C(CC)N(C)CCCO 269982a_100000213112_100000212269 [0,2,0,0,0,0|1,0,0]=3 4144 B13R0.387 CCOC(=O)C(CC)N(C)CCOC 2230a_100000743101_100000212269 [0,2,0,0,0,0|1,0,0]=3 4145 B13R0.387 CCOC(=O)C(CC)N(C)CCOC 269982a_100000743101_100000212269 [0,2,0,0,0,0|1,0,0]=3 4146 B13R0.387 CCOC(=O)C(CC)N(C)CCSC 2230a_100000686725_100000212269 [0,2,0,0,0,0|1,0,0]=3 4147 B13R0.387 CCOC(=O)C(CC)N(C)CCSC 269982a_100000686725_100000212269 [0,2,0,0,0,0|1,0,0]=3 4148 B13R0.387 CCOC(=O)C(SC)C(=O)CCOC 1458a_100000749529_100009893047 [0,2,0,0,0,0|1,0,1]=4 4149 B13R0.387 CCOC(=O)C(SC)C(=O)CCSC 1458a_100000174002_100009893047 [0,2,0,0,0,0|1,0,1]=4 4150 B13R0.387 CCOC(=O)C(SC)C(=O)CSCC 1458a_100000230394_100009893047 [0,2,0,0,0,0|1,0,1]=4 4151 B13R0.387 CCOC(=O)C(SC)N(C)CCCO 269982a_100000213112_100009893047 [0,2,0,0,0,0|2,0,0]=4 4152 B13R0.387 CCOC(=O)C(SC)N(C)CCOC 269982a_100000743101_100009893047 [0,2,0,0,0,0|2,0,0]=4 4153 B13R0.387 CCOC(=O)C(SC)N(C)CCSC 269982a_100000686725_100009893047 [0,2,0,0,0,0|2,0,0]=4 4154 B13R0.387 CCOCC(=O)C(CC)C(=O)OCC 1458a_100000211967_100000212269 [0,2,0,0,0,0|0,0,1]=3 4155 B13R0.387 CCOCC(=O)C(SC)C(=O)OCC 1458a_100000211967_100009893047 [0,2,0,0,0,0|1,0,1]=4 4156 B13R0.387 CCOCC(=O)N(CC)C(C)CCO 240690a_100011935059_100000211967 [0,2,0,0,0,0|2,0,0]=4 4157 B13R0.387 CCOCC(=O)N(CC)C(C)CCO 527a_100011935059_100000211967 [0,2,0,0,0,0|2,0,0]=4 4158 B13R0.750 C=C(C)CN(C)C(CC)C(=O)OCC 2230a_100000225649_100000212269 [0,2,0,0,0,0|1,0,1]=4 4159 B13R0.750 C=C(C)CN(C)C(CC)C(=O)OCC 269982a_100000225649_100000212269 [0,2,0,0,0,0|1,0,1]=4 4160 B13R0.750 CCCC(=O)C(CC)C(=O)NC(C)C 1458a_100000211992_200011763342 [0,2,0,0,0,0|1,0,1]=4 4161 B13R0.750 CCCN(C)C(CC)C(=O)NC(C)C 2230a_100000747261_200011763342 [0,2,0,0,0,0|2,0,0]=4 4162 B13R0.750 CCCN(C)C(CC)C(=O)NC(C)C 269982a_100000747261_200011763342 [0,2,0,0,0,0|2,0,0]=4 4163 B13R0.750 CCOC(=O)C(CC)C(=O)CC(C)C 1458a_100000210554_100000212269 [0,2,0,0,0,0|0,0,1]=3 4164 B13R0.750 CCOC(=O)C(CC)C(=O)CN(C)C 1458a_100000750896_100000212269 [0,2,0,0,0,0|1,0,1]=4 4165 B13R0.750 CCOC(=O)C(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100000212269 [0,2,0,0,0,0|0,0,1]=3 4166 B13R0.750 CCOC(=O)C(CC)C(=O)C[S+](C)C 1458a_200159257847_100000212269 [0,2,0,0,0,0|1,0,1]=4 4167 B13R0.750 CCOC(=O)C(CC)N(C)CC(C)C 2230a_100000747067_100000212269 [0,2,0,0,0,0|1,0,0]=3 4168 B13R0.750 CCOC(=O)C(CC)N(C)CC(C)C 269982a_100000747067_100000212269 [0,2,0,0,0,0|1,0,0]=3 4169 B13R0.750 CCOC(=O)C(CC)N(C)CC(C)O 2230a_100000227577_100000212269 [0,2,0,0,0,0|1,0,0]=3 4170 B13R0.750 CCOC(=O)C(CC)N(C)CC(C)O 269982a_100000227577_100000212269 [0,2,0,0,0,0|1,0,0]=3 4171 B13R0.750 CCOC(=O)C(SC)C(=O)CC(C)C 1458a_100000210554_100009893047 [0,2,0,0,0,0|1,0,1]=4 4172 B13R0.750 CCOC(=O)C(SC)C(=O)C[C@@H](C)O 1458a_100011933948_100009893047 [0,2,0,0,0,0|1,0,1]=4 4173 B13R0.750 CCOC(=O)C(SC)N(C)CC(C)C 269982a_100000747067_100009893047 [0,2,0,0,0,0|2,0,0]=4 4174 B13R0.750 CCOC(=O)C(SC)N(C)CC(C)O 269982a_100000227577_100009893047 [0,2,0,0,0,0|2,0,0]=4 4175 B13R0.753 CCCC(=O)C(C(=O)OCC)C(C)C 1458a_100000211992_100000740032 [0,2,0,0,0,0|0,0,1]=3 4176 B13R0.753 CCCN(C)C(C(=O)C)C(=O)OCC 269982a_100000747261_100009831564 [0,2,0,0,0,0|1,0,1]=4 4177 B13R0.753 CCCN(C)C(C(=O)OCC)C(C)C 269982a_100000747261_100000740032 [0,2,0,0,0,0|1,0,0]=3 4178 B13R0.753 CCOC(=O)C(C(=O)CCO)C(C)C 1458a_100011216618_100000740032 [0,2,0,0,0,0|1,0,1]=4 4179 B13R0.753 CCOC(=O)C(C(=O)COC)C(C)C 1458a_100000210968_100000740032 [0,2,0,0,0,0|1,0,1]=4 4180 B13R0.753 CCOC(=O)C(C(=O)CSC)C(C)C 1458a_100000184570_100000740032 [0,2,0,0,0,0|1,0,1]=4 4181 B13R0.753 CCOC(=O)C(C(C)C)N(C)CCO 269982a_100000210263_100000740032 [0,2,0,0,0,0|2,0,0]=4 4182 B13R0.1176 CCCC(=O)C(CCC)C(=O)OCC 1458a_100000211992_100000695697 [0,2,0,0,0,0|0,0,1]=3 4183 B13R0.1176 CCCC(C(=O)CCO)C(=O)OCC 1458a_100011216618_100000695697 [0,2,0,0,0,0|1,0,1]=4 4184 B13R0.1176 CCCC(C(=O)COC)C(=O)OCC 1458a_100000210968_100000695697 [0,2,0,0,0,0|1,0,1]=4 4185 B13R0.1176 CCCC(C(=O)CSC)C(=O)OCC 1458a_100000184570_100000695697 [0,2,0,0,0,0|1,0,1]=4 4186 B13R0.1176 CCCC(C(=O)OCC)N(C)CCC 2230a_100000747261_100000695697 [0,2,0,0,0,0|1,0,0]=3 4187 B13R0.1176 CCCC(C(=O)OCC)N(C)CCC 269982a_100000747261_100000695697 [0,2,0,0,0,0|1,0,0]=3 4188 B13R0.1176 CCCC(C(=O)OCC)N(C)CCO 2230a_100000210263_100000695697 [0,2,0,0,0,0|2,0,0]=4 4189 B13R0.1176 CCCC(C(=O)OCC)N(C)CCO 269982a_100000210263_100000695697 [0,2,0,0,0,0|2,0,0]=4 4190 B13R0.1176 CCOC(=O)C(OCC)C(=O)OCC 34a_100121572206_100000243710 [0,2,0,0,0,0|1,0,1]=4 4191 B13R0.1176 CCOC(=O)C(SCC)C(=O)OCC 62a_100000210202_100000243710 [0,2,0,0,0,0|1,0,1]=4 4192 B13R0.1176 CCOC(=O)C(SCC)C(=O)OCC 62a_100000243710_100000210202 [0,2,0,0,0,0|1,0,1]=4 4193 B13R0.15 C/C=C(\C)/C(=O)C(CCC)CCCC 1458a_100020587367_100000211913 [0,2,0,0,0,0|1,0,1]=4 4194 B13R0.15 CCCCC(CCC)C(=O)C(=O)NC 1458a_100011218921_100000211913 [0,2,0,0,0,0|2,0,0]=4 4195 B13R0.15 CCCCC(CCC)C(=O)C(C)CC 1458a_100011192722_100000211913 [0,2,0,0,0,0|1,0,0]=3 4196 B13R0.15 CCCCC(CCC)C(=O)C(C)OC 1458a_100000743197_100000211913 [0,2,0,0,0,0|2,0,0]=4 4197 B13R0.15 CCCCC(CCC)C(=O)C(C)SC 1458a_100000149566_100000211913 [0,2,0,0,0,0|2,0,0]=4 4198 B13R0.15 CCCCC(CCC)C(=O)C(O)CC 1458a_100011196387_100000211913 [0,2,0,0,0,0|1,0,0]=3 4199 B13R0.15 CCCCC(CCC)C(=O)C(O)CO 1458a_100011215603_100000211913 [0,2,0,0,0,0|2,0,0]=4 4200 B13R0.15 CCCCN(CCC)C(=O)C(C)CC 11a_200000207744_100011192722 [0,2,0,0,0,0|2,0,0]=4 4201 B13R0.15 CCCCN(CCC)C(=O)C(C)CC 1626a_200000207744_100011192722 [0,2,0,0,0,0|2,0,0]=4 4202 B13R0.15 CCCCN(CCC)C(=O)C(C)CC 240690a_200000207744_100011192722 [0,2,0,0,0,0|2,0,0]=4 4203 B13R0.15 CCCCN(CCC)C(=O)C(C)CC 527a_200000207744_100011192722 [0,2,0,0,0,0|2,0,0]=4 4204 B13R0.15 CCCCN(CCC)C(=O)C(O)CC 240690a_200000207744_100011196387 [0,2,0,0,0,0|2,0,0]=4 4205 B13R0.15 CCCCN(CCO)C(=O)C(C)CC 240690a_100000198060_100011192722 [0,2,0,0,0,0|2,0,0]=4 4206 B13R0.15 CCCCN(CCO)C(=O)C(O)CC 240690a_100000198060_100011196387 [0,2,0,0,0,0|2,0,0]=4 4207 B13R0.123 C#CCCC(=O)C(CCC)CCCC 1458a_100000692101_100000211913 [0,2,0,0,0,0|1,0,1]=4 4208 B13R0.123 C=CCCC(=O)C(CCC)CCCC 1458a_100000749702_100000211913 [0,2,0,0,0,0|1,0,1]=4 4209 B13R0.123 CC=CCC(=O)C(CCC)CCCC 1458a_100121576822_100000211913 [0,2,0,0,0,0|1,0,1]=4 4210 B13R0.123 CCC#CC(=O)C(CCC)CCCC 1458a_100011827653_100000211913 [0,2,0,0,0,0|1,0,0]=3 4211 B13R0.123 CCC=CC(=O)C(CCC)CCCC 1458a_100000212282_100000211913 [0,2,0,0,0,0|1,0,0]=3 4212 B13R0.123 CCC=CC(=O)N(CCC)CCCC 11a_200000207744_100000212282 [0,2,0,0,0,0|2,0,0]=4 4213 B13R0.123 CCC=CC(=O)N(CCC)CCCC 1626a_200000207744_100000212282 [0,2,0,0,0,0|2,0,0]=4 4214 B13R0.123 CCC=CC(=O)N(CCC)CCCC 240690a_200000207744_100000212282 [0,2,0,0,0,0|2,0,0]=4 4215 B13R0.123 CCC=CC(=O)N(CCO)CCCC 240690a_100000198060_100000212282 [0,2,0,0,0,0|2,0,0]=4 4216 B13R0.123 CCCCC(=O)C(CCC)CCCC 1458a_100000210183_100000211913 [0,2,0,0,0,0|1,0,0]=3 4217 B13R0.123 CCCCC(=O)C(CCCC)OCC 34a_200000040183_100000210202 [0,2,0,0,0,0|1,0,0]=3 4218 B13R0.123 CCCCC(=O)C(CCCC)OCC 7a_200000040183_100000210202 [0,2,0,0,0,0|1,0,0]=3 4219 B13R0.123 CCCCC(=O)C(CCCC)OCF 34a_200000040183_100015361967 [0,2,0,0,0,0|2,0,0]=4 4220 B13R0.123 CCCCC(=O)C(CCCC)OCF 7a_200000040183_100015361967 [0,2,0,0,0,0|2,0,0]=4 4221 B13R0.123 CCCCC(=O)N(CCC)CCCC 11a_200000207744_100000210183 [0,2,0,0,0,0|2,0,0]=4 4222 B13R0.123 CCCCC(=O)N(CCC)CCCC 1626a_200000207744_100000210183 [0,2,0,0,0,0|2,0,0]=4 4223 B13R0.123 CCCCC(=O)N(CCC)CCCC 240690a_200000207744_100000210183 [0,2,0,0,0,0|2,0,0]=4 4224 B13R0.123 CCCCC(=O)N(CCC)CCCC 527a_200000207744_100000210183 [0,2,0,0,0,0|2,0,0]=4 4225 B13R0.123 CCCCC(=O)N(CCO)CCCC 240690a_100000198060_100000210183 [0,2,0,0,0,0|2,0,0]=4 4226 B13R0.123 CCCCC(CCC)C(=O)C#CCO 1458a_100000049017_100000211913 [0,2,0,0,0,0|1,0,1]=4 4227 B13R0.123 CCCCC(CCC)C(=O)C=COC 1458a_100016268678_100000211913 [0,2,0,0,0,0|1,0,1]=4 4228 B13R0.123 CCCCC(CCC)C(=O)CCC#N 1458a_100011934036_100000211913 [0,2,0,0,0,0|1,0,1]=4 4229 B13R0.123 CCCCC(CCC)C(=O)CCOC 1458a_100000749529_100000211913 [0,2,0,0,0,0|1,0,0]=3 4230 B13R0.123 CCCCC(CCC)C(=O)CCSC 1458a_100000174002_100000211913 [0,2,0,0,0,0|1,0,0]=3 4231 B13R0.123 CCCCC(CCC)C(=O)COCC 1458a_100000211967_100000211913 [0,2,0,0,0,0|0,0,0]=2 4232 B13R0.123 CCCCC(CCC)C(=O)CSCC 1458a_100000230394_100000211913 [0,2,0,0,0,0|0,1,0]=3 4233 B13R0.123 CCCCN(CC#N)C(=O)COCC 11a_200011192266_100000211967 [0,2,0,0,0,0|1,0,1]=4 4234 B13R0.123 CCCCN(CC#N)C(=O)COCC 1626a_200011192266_100000211967 [0,2,0,0,0,0|1,0,1]=4 4235 B13R0.123 CCCCN(CC#N)C(=O)COCC 240690a_200011192266_100000211967 [0,2,0,0,0,0|1,0,1]=4 4236 B13R0.123 CCCCN(CCC)C(=O)CCOC 11a_200000207744_100000749529 [0,2,0,0,0,0|2,0,0]=4 4237 B13R0.123 CCCCN(CCC)C(=O)CCOC 1626a_200000207744_100000749529 [0,2,0,0,0,0|2,0,0]=4 4238 B13R0.123 CCCCN(CCC)C(=O)CCOC 240690a_200000207744_100000749529 [0,2,0,0,0,0|2,0,0]=4 4239 B13R0.123 CCCCN(CCC)C(=O)CCOC 527a_200000207744_100000749529 [0,2,0,0,0,0|2,0,0]=4 4240 B13R0.123 CCCCN(CCC)C(=O)CCSC 11a_200000207744_100000174002 [0,2,0,0,0,0|2,0,0]=4 4241 B13R0.123 CCCCN(CCC)C(=O)CCSC 1626a_200000207744_100000174002 [0,2,0,0,0,0|2,0,0]=4 4242 B13R0.123 CCCCN(CCC)C(=O)CCSC 240690a_200000207744_100000174002 [0,2,0,0,0,0|2,0,0]=4 4243 B13R0.123 CCCCN(CCC)C(=O)CCSC 527a_200000207744_100000174002 [0,2,0,0,0,0|2,0,0]=4 4244 B13R0.123 CCCCN(CCC)C(=O)COCC 11a_200000207744_100000211967 [0,2,0,0,0,0|1,0,0]=3 4245 B13R0.123 CCCCN(CCC)C(=O)COCC 1626a_200000207744_100000211967 [0,2,0,0,0,0|1,0,0]=3 4246 B13R0.123 CCCCN(CCC)C(=O)COCC 240690a_200000207744_100000211967 [0,2,0,0,0,0|1,0,0]=3 4247 B13R0.123 CCCCN(CCC)C(=O)COCC 527a_200000207744_100000211967 [0,2,0,0,0,0|1,0,0]=3 4248 B13R0.123 CCCCN(CCC)C(=O)CSCC 11a_200000207744_100000230394 [0,2,0,0,0,0|1,1,0]=4 4249 B13R0.123 CCCCN(CCC)C(=O)CSCC 1626a_200000207744_100000230394 [0,2,0,0,0,0|1,1,0]=4 4250 B13R0.123 CCCCN(CCC)C(=O)CSCC 240690a_200000207744_100000230394 [0,2,0,0,0,0|1,1,0]=4 4251 B13R0.123 CCCCN(CCC)C(=O)CSCC 527a_200000207744_100000230394 [0,2,0,0,0,0|1,1,0]=4 4252 B13R0.123 CCCCN(CCC)C(=O)NCCC 2708a_100020643023_200000207744 [0,2,0,0,0,0|2,0,0]=4 4253 B13R0.123 CCCCN(CCC)C(=O)NCCC 273464a_100020643023_200000207744 [0,2,0,0,0,0|2,0,0]=4 4254 B13R0.123 CCCCN(CCC)C(=O)NCCF 273464a_100000724931_200000207744 [0,2,0,0,0,0|2,0,0]=4 4255 B13R0.123 CCCCN(CCC)C(=O)NCCO 273464a_100000210304_200000207744 [0,2,0,0,0,0|2,0,0]=4 4256 B13R0.123 CCCCN(CCO)C(=O)CCOC 240690a_100000198060_100000749529 [0,2,0,0,0,0|2,0,0]=4 4257 B13R0.123 CCCCN(CCO)C(=O)CCSC 240690a_100000198060_100000174002 [0,2,0,0,0,0|2,0,0]=4 4258 B13R0.123 CCCCN(CCO)C(=O)COCC 240690a_100000198060_100000211967 [0,2,0,0,0,0|1,0,0]=3 4259 B13R0.123 CCCCN(CCO)C(=O)CSCC 240690a_100000198060_100000230394 [0,2,0,0,0,0|1,1,0]=4 4260 B13R0.123 CCCCN(CCO)C(=O)NCCC 2708a_100020643023_100000198060 [0,2,0,0,0,0|2,0,0]=4 4261 B13R0.123 CCCCN(CCO)C(=O)NCCC 273464a_100020643023_100000198060 [0,2,0,0,0,0|2,0,0]=4 4262 B13R0.123 CCCCN(CCO)C(=O)NCCF 273464a_100000724931_100000198060 [0,2,0,0,0,0|2,0,0]=4 4263 B13R0.123 CCCCN(CCO)C(=O)NCCO 273464a_100000210304_100000198060 [0,2,0,0,0,0|2,0,0]=4 4264 B13R0.123 CCCN(CCOC)C(=O)COCC 11a_200011192371_100000211967 [0,2,0,0,0,0|2,0,0]=4 4265 B13R0.123 CCCN(CCOC)C(=O)COCC 1626a_200011192371_100000211967 [0,2,0,0,0,0|2,0,0]=4 4266 B13R0.123 CCCN(CCOC)C(=O)COCC 240690a_200011192371_100000211967 [0,2,0,0,0,0|2,0,0]=4 4267 B13R0.123 CCCN(CCOC)C(=O)COCC 527a_200011192371_100000211967 [0,2,0,0,0,0|2,0,0]=4 4268 B13R0.123 CCOCC(=O)N(CCO)CCCO 240690a_200000212863_100000211967 [0,2,0,0,0,0|2,0,0]=4 4269 B13R0.159 CCCCC(NC(=O)C)C(=O)CCC 1458a_100000194794_100000210303 [0,2,0,0,0,0|1,0,1]=4 4270 B13R0.159 CCCCC(NC(=O)C)C(=O)NCC 11a_100015525214_100000194794 [0,2,0,0,0,0|1,0,1]=4 4271 B13R0.159 CCCCC(NC(=O)C)C(=O)NCC 240690a_100015525214_100000194794 [0,2,0,0,0,0|1,0,1]=4 4272 B13R0.159 CCCCC(NC(=O)C)C(=O)NCC 527a_100015525214_100000194794 [0,2,0,0,0,0|1,0,1]=4 4273 B13R0.159 CCCCC(NC(C)C)C(=O)OCC 2230a_100138425928_200009813700 [0,2,0,0,0,0|0,0,0]=2 4274 B13R0.159 CCCCC(NC(C)C)C(=O)OCC 34a_100138425928_200009813700 [0,2,0,0,0,0|0,0,0]=2 4275 B13R0.159 CCCCC(OC(C)C)C(=O)OCC 34a_100000212225_200009813700 [0,2,0,0,0,0|0,0,0]=2 4276 B13R0.159 CCCCC(OC(C)C)C(=O)OCC 34a_200011215408_100000210206 [0,2,0,0,0,0|0,0,0]=2 4277 B13R0.159 CCCCC(OC(C)C)C(=O)OCC 7a_200011215408_100000210206 [0,2,0,0,0,0|0,0,0]=2 4278 B13R0.159 CCCCC(SC(C)C)C(=O)OCC 62a_100000210206_200009813700 [0,2,0,0,0,0|0,0,0]=2 4279 B13R0.159 CCCCC(SC(C)C)C(=O)OCC 62a_200009813700_100000210206 [0,2,0,0,0,0|0,0,0]=2 4280 B13R0.159 CCCOC(CC(C)C)C(=O)OCC 34a_100000210258_100010269446 [0,2,0,0,0,0|1,0,0]=3 4281 B13R0.159 CCCOC(CC(C)C)C(=O)OCC 34a_100011626094_100000210303 [0,2,0,0,0,0|1,0,0]=3 4282 B13R0.159 CCCOC(CC(C)C)C(=O)OCC 7a_100011626094_100000210303 [0,2,0,0,0,0|1,0,0]=3 4283 B13R0.159 CCCSC(CC(C)C)C(=O)OCC 62a_100000210303_100010269446 [0,2,0,0,0,0|1,0,0]=3 4284 B13R0.159 CCCSC(CC(C)C)C(=O)OCC 62a_100010269446_100000210303 [0,2,0,0,0,0|1,0,0]=3 4285 B13R0.159 CCOC(=O)C(CC(C)C)NCCF 34a_100000724931_100010269446 [0,2,0,0,0,0|2,0,0]=4 4286 B13R0.159 CCOC(=O)C(CC(C)C)NCCO 2230a_100016997473_100010269446 [0,2,0,0,0,0|2,0,0]=4 4287 B13R0.159 CCOC(=O)C(CC(C)C)NCCO 34a_100016990907_100010269446 [0,2,0,0,0,0|2,0,0]=4 4288 B13R0.159 CCOC(=O)C(CC(C)C)OCCBr 34a_100000211926_100010269446 [0,2,0,0,0,0|2,0,0]=4 4289 B13R0.159 CCOC(=O)C(CC(C)C)OCCF 34a_100011626094_100011217306 [0,2,0,0,0,0|2,0,0]=4 4290 B13R0.159 CCOC(=O)C(CC(C)C)OCCF 7a_100011626094_100011217306 [0,2,0,0,0,0|2,0,0]=4 4291 B13R0.159 CCOC(=O)C(CC(C)C)OCCN 34a_100000210304_100010269446 [0,2,0,0,0,0|2,0,0]=4 4292 B13R0.159 CCOC(=O)C(CC(C)C)OCCO 34a_100011626094_100000211926 [0,2,0,0,0,0|2,0,0]=4 4293 B13R0.159 CCOC(=O)C(CC(C)C)OCCO 7a_100011626094_100000211926 [0,2,0,0,0,0|2,0,0]=4 4294 B13R0.159 CCOC(=O)C(CC(C)C)OCSC 34a_100011626094_100011218213 [0,2,0,0,0,0|2,0,0]=4 4295 B13R0.159 CCOC(=O)C(CC(C)C)SCCF 62a_100010269446_100011217306 [0,2,0,0,0,0|2,0,0]=4 4296 B13R0.159 CCOC(=O)C(CC(C)C)SCCF 62a_100011217306_100010269446 [0,2,0,0,0,0|2,0,0]=4 4297 B13R0.159 CCOC(=O)C(CC(C)C)SCCO 62a_100000211926_100010269446 [0,2,0,0,0,0|2,0,0]=4 4298 B13R0.159 CCOC(=O)C(CC(C)C)SCCO 62a_100010269446_100000211926 [0,2,0,0,0,0|2,0,0]=4 4299 B13R0.159 CCOC(=O)C(CC(C)C)SCOC 62a_100000766300_100010269446 [0,2,0,0,0,0|2,0,0]=4 4300 B13R0.159 CCOC(=O)C(CC(C)C)SCOC 62a_100010269446_100000766300 [0,2,0,0,0,0|2,0,0]=4 4301 B13R0.159 CCOC(=O)C(CC(C)C)SCSC 62a_100010269446_100011218213 [0,2,0,0,0,0|2,0,0]=4 4302 B13R0.159 CCOC(=O)C(CC(C)C)SCSC 62a_100011218213_100010269446 [0,2,0,0,0,0|2,0,0]=4 4303 B13R0.159 CCOC(=O)[C@H](CCSC)NC(=O)C 188690a_100016988351_100015343762 [0,2,0,0,0,0|1,0,1]=4 4304 B13R0.390 C#CCCNC(CCC)C(=O)OCC 34a_100000755551_100000695697 [0,2,0,0,0,0|0,0,2]=4 4305 B13R0.390 C#CCCNC(OCC)C(=O)OCC 34a_100000755551_100000033883 [0,2,0,0,0,0|0,0,2]=4 4306 B13R0.390 C#CCCOC(CCC)C(=O)OCC 34a_100011215631_100000695697 [0,2,0,0,0,0|0,0,2]=4 4307 B13R0.390 C#CCCOC(CCC)C(=O)OCC 34a_200011218214_100000688953 [0,2,0,0,0,0|0,0,2]=4 4308 B13R0.390 C#CCCOC(CCC)C(=O)OCC 7a_200011218214_100000688953 [0,2,0,0,0,0|0,0,2]=4 4309 B13R0.390 C#CCCOC(OCC)C(=O)OCC 34a_100011215631_100000033883 [0,2,0,0,0,0|0,0,2]=4 4310 B13R0.390 C#CCCSC(CCC)C(=O)OCC 62a_100000688953_100000695697 [0,2,0,0,0,0|0,0,2]=4 4311 B13R0.390 C#CCCSC(CCC)C(=O)OCC 62a_100000695697_100000688953 [0,2,0,0,0,0|0,0,2]=4 4312 B13R0.390 C#CCCSC(OCC)C(=O)OCC 62a_100000033883_100000688953 [0,2,0,0,0,0|0,0,2]=4 4313 B13R0.390 C#CCCSC(OCC)C(=O)OCC 62a_100000688953_100000033883 [0,2,0,0,0,0|0,0,2]=4 4314 B13R0.390 C/C=C/COC(CCC)C(=O)OCC 34a_100016270725_100000695697 [0,2,0,0,0,0|0,0,2]=4 4315 B13R0.390 C/C=C/COC(CCC)C(=O)OCC 34a_200011218214_100102629194 [0,2,0,0,0,0|0,0,2]=4 4316 B13R0.390 C/C=C/COC(CCC)C(=O)OCC 7a_200011218214_100102629194 [0,2,0,0,0,0|0,0,2]=4 4317 B13R0.390 C/C=C/COC(OCC)C(=O)OCC 34a_100016270725_100000033883 [0,2,0,0,0,0|0,0,2]=4 4318 B13R0.390 C/C=C/CSC(CCC)C(=O)OCC 62a_100000695697_100102629194 [0,2,0,0,0,0|0,0,2]=4 4319 B13R0.390 C/C=C/CSC(CCC)C(=O)OCC 62a_100102629194_100000695697 [0,2,0,0,0,0|0,0,2]=4 4320 B13R0.390 C/C=C/CSC(OCC)C(=O)OCC 62a_100000033883_100102629194 [0,2,0,0,0,0|0,0,2]=4 4321 B13R0.390 C/C=C/CSC(OCC)C(=O)OCC 62a_100102629194_100000033883 [0,2,0,0,0,0|0,0,2]=4 4322 B13R0.390 C=CCCNC(CCC)C(=O)OCC 2230a_100015191253_100000695697 [0,2,0,0,0,0|0,0,2]=4 4323 B13R0.390 C=CCCOC(CCC)C(=O)OCC 34a_100011205117_100000695697 [0,2,0,0,0,0|0,0,2]=4 4324 B13R0.390 C=CCCOC(CCC)C(=O)OCC 34a_200011218214_100000754431 [0,2,0,0,0,0|0,0,2]=4 4325 B13R0.390 C=CCCOC(CCC)C(=O)OCC 7a_200011218214_100000754431 [0,2,0,0,0,0|0,0,2]=4 4326 B13R0.390 C=CCCOC(OCC)C(=O)OCC 34a_100011205117_100000033883 [0,2,0,0,0,0|0,0,2]=4 4327 B13R0.390 C=CCCSC(CCC)C(=O)OCC 62a_100000695697_100000754431 [0,2,0,0,0,0|0,0,2]=4 4328 B13R0.390 C=CCCSC(CCC)C(=O)OCC 62a_100000754431_100000695697 [0,2,0,0,0,0|0,0,2]=4 4329 B13R0.390 C=CCCSC(OCC)C(=O)OCC 62a_100000033883_100000754431 [0,2,0,0,0,0|0,0,2]=4 4330 B13R0.390 C=CCCSC(OCC)C(=O)OCC 62a_100000754431_100000033883 [0,2,0,0,0,0|0,0,2]=4 4331 B13R0.390 CC#CCNC(CCC)C(=O)OCC 2230a_100000685387_100000695697 [0,2,0,0,0,0|0,0,2]=4 4332 B13R0.390 CC#CCNC(CCC)C(=O)OCC 34a_100000685387_100000695697 [0,2,0,0,0,0|0,0,2]=4 4333 B13R0.390 CC#CCNC(OCC)C(=O)OCC 34a_100000685387_100000033883 [0,2,0,0,0,0|0,0,2]=4 4334 B13R0.390 CC#CCOC(CCC)C(=O)OCC 34a_100000761923_100000695697 [0,2,0,0,0,0|0,0,2]=4 4335 B13R0.390 CC#CCOC(CCC)C(=O)OCC 34a_200011218214_100000748600 [0,2,0,0,0,0|0,0,2]=4 4336 B13R0.390 CC#CCOC(CCC)C(=O)OCC 7a_200011218214_100000748600 [0,2,0,0,0,0|0,0,2]=4 4337 B13R0.390 CC#CCOC(OCC)C(=O)OCC 34a_100000761923_100000033883 [0,2,0,0,0,0|0,0,2]=4 4338 B13R0.390 CC#CCSC(CCC)C(=O)OCC 62a_100000695697_100000748600 [0,2,0,0,0,0|0,0,2]=4 4339 B13R0.390 CC#CCSC(CCC)C(=O)OCC 62a_100000748600_100000695697 [0,2,0,0,0,0|0,0,2]=4 4340 B13R0.390 CC#CCSC(OCC)C(=O)OCC 62a_100000033883_100000748600 [0,2,0,0,0,0|0,0,2]=4 4341 B13R0.390 CC#CCSC(OCC)C(=O)OCC 62a_100000748600_100000033883 [0,2,0,0,0,0|0,0,2]=4 4342 B13R0.390 CC/C=C(\C)/C(CCCCC)OCC 34a_200016997515_100000210202 [0,2,0,0,0,0|2,0,0]=4 4343 B13R0.390 CC/C=C(\C)/C(CCCCC)OCC 7a_200016997515_100000210202 [0,2,0,0,0,0|2,0,0]=4 4344 B13R0.390 CC=CCOC(CCC)C(=O)OCC 34a_200011218214_100000070051 [0,2,0,0,0,0|0,0,2]=4 4345 B13R0.390 CC=CCOC(CCC)C(=O)OCC 7a_200011218214_100000070051 [0,2,0,0,0,0|0,0,2]=4 4346 B13R0.390 CC=CCSC(CCC)C(=O)OCC 62a_100000070051_100000695697 [0,2,0,0,0,0|0,0,2]=4 4347 B13R0.390 CC=CCSC(CCC)C(=O)OCC 62a_100000695697_100000070051 [0,2,0,0,0,0|0,0,2]=4 4348 B13R0.390 CC=CCSC(OCC)C(=O)OCC 62a_100000033883_100000070051 [0,2,0,0,0,0|0,0,2]=4 4349 B13R0.390 CC=CCSC(OCC)C(=O)OCC 62a_100000070051_100000033883 [0,2,0,0,0,0|0,0,2]=4 4350 B13R0.390 CCCC(=O)C(CCC)OCCCF 34a_200011216804_100011934791 [0,2,0,0,0,0|2,0,0]=4 4351 B13R0.390 CCCC(=O)C(CCC)OCCCF 7a_200011216804_100011934791 [0,2,0,0,0,0|2,0,0]=4 4352 B13R0.390 CCCC(=O)C(CCC)OCCCO 34a_200011216804_100000230001 [0,2,0,0,0,0|2,0,0]=4 4353 B13R0.390 CCCC(=O)C(CCC)OCCCO 7a_200011216804_100011215043 [0,2,0,0,0,0|2,0,0]=4 4354 B13R0.390 CCCC(=O)C(CCC)OCCOC 34a_200011216804_100011201679 [0,2,0,0,0,0|2,0,0]=4 4355 B13R0.390 CCCC(=O)C(CCC)OCCOC 7a_200011216804_100000233755 [0,2,0,0,0,0|2,0,0]=4 4356 B13R0.390 CCCC(=O)C(CCC)OCCSC 34a_200011216804_100000212216 [0,2,0,0,0,0|2,0,0]=4 4357 B13R0.390 CCCC(=O)C(CCC)OCCSC 7a_200011216804_100000212216 [0,2,0,0,0,0|2,0,0]=4 4358 B13R0.390 CCCC(NCCCF)C(=O)OCC 2230a_100015189416_100000695697 [0,2,0,0,0,0|1,0,0]=3 4359 B13R0.390 CCCC(NCCCF)C(=O)OCC 34a_100015189416_100000695697 [0,2,0,0,0,0|1,0,0]=3 4360 B13R0.390 CCCC(NCCOC)C(=O)OCC 2230a_100000209980_100000695697 [0,2,0,0,0,0|1,0,0]=3 4361 B13R0.390 CCCC(NCCSC)C(=O)OCC 2230a_100020590264_100000695697 [0,2,0,0,0,0|1,0,0]=3 4362 B13R0.390 CCCC(OCCC#N)C(=O)OCC 7a_200011218214_100000184422 [0,2,0,0,0,0|1,0,1]=4 4363 B13R0.390 CCCC(OCCCBr)C(=O)OCC 34a_100011217188_100000695697 [0,2,0,0,0,0|1,0,0]=3 4364 B13R0.390 CCCC(OCCCCl)C(=O)OCC 34a_100000230001_100000695697 [0,2,0,0,0,0|1,0,0]=3 4365 B13R0.390 CCCC(OCCCF)C(=O)OCC 34a_100000759539_100000695697 [0,2,0,0,0,0|1,0,0]=3 4366 B13R0.390 CCCC(OCCCF)C(=O)OCC 34a_200011218214_100011934791 [0,2,0,0,0,0|1,0,0]=3 4367 B13R0.390 CCCC(OCCCF)C(=O)OCC 7a_200011218214_100011934791 [0,2,0,0,0,0|1,0,0]=3 4368 B13R0.390 CCCC(OCCCN)C(=O)OCC 34a_100000182051_100000695697 [0,2,0,0,0,0|1,0,0]=3 4369 B13R0.390 CCCC(OCCCO)C(=O)OCC 34a_200011218214_100000230001 [0,2,0,0,0,0|1,0,0]=3 4370 B13R0.390 CCCC(OCCCO)C(=O)OCC 7a_200011218214_100011215043 [0,2,0,0,0,0|1,0,0]=3 4371 B13R0.390 CCCC(OCCOC)C(=O)OCC 34a_100000210237_100000695697 [0,2,0,0,0,0|1,0,0]=3 4372 B13R0.390 CCCC(OCCOC)C(=O)OCC 34a_200011218214_100011201679 [0,2,0,0,0,0|1,0,0]=3 4373 B13R0.390 CCCC(OCCOC)C(=O)OCC 7a_200011218214_100000233755 [0,2,0,0,0,0|1,0,0]=3 4374 B13R0.390 CCCC(OCCON)C(=O)OCC 34a_100000700252_100000695697 [0,2,0,0,0,0|2,0,0]=4 4375 B13R0.390 CCCC(OCCSC)C(=O)OCC 34a_100000230434_100000695697 [0,2,0,0,0,0|1,0,0]=3 4376 B13R0.390 CCCC(OCCSC)C(=O)OCC 34a_200011218214_100000212216 [0,2,0,0,0,0|1,0,0]=3 4377 B13R0.390 CCCC(OCCSC)C(=O)OCC 7a_100000230434_100000695697 [0,2,0,0,0,0|1,0,0]=3 4378 B13R0.390 CCCC(OCCSC)C(=O)OCC 7a_200011218214_100000212216 [0,2,0,0,0,0|1,0,0]=3 4379 B13R0.390 CCCC(SCCC#N)C(=O)OCC 62a_100000695697_100011215226 [0,2,0,0,0,0|1,0,1]=4 4380 B13R0.390 CCCC(SCCC#N)C(=O)OCC 62a_100011215226_100000695697 [0,2,0,0,0,0|1,0,1]=4 4381 B13R0.390 CCCC(SCCCF)C(=O)OCC 62a_100000695697_100011934791 [0,2,0,0,0,0|1,0,0]=3 4382 B13R0.390 CCCC(SCCCF)C(=O)OCC 62a_100011934791_100000695697 [0,2,0,0,0,0|1,0,0]=3 4383 B13R0.390 CCCC(SCCCO)C(=O)OCC 62a_100000695697_100011215043 [0,2,0,0,0,0|1,0,0]=3 4384 B13R0.390 CCCC(SCCCO)C(=O)OCC 62a_100011215043_100000695697 [0,2,0,0,0,0|1,0,0]=3 4385 B13R0.390 CCCC(SCCOC)C(=O)OCC 62a_100000233755_100000695697 [0,2,0,0,0,0|1,0,0]=3 4386 B13R0.390 CCCC(SCCOC)C(=O)OCC 62a_100000695697_100000233755 [0,2,0,0,0,0|1,0,0]=3 4387 B13R0.390 CCCC(SCCSC)C(=O)OCC 62a_100000212216_100000695697 [0,2,0,0,0,0|1,0,0]=3 4388 B13R0.390 CCCC(SCCSC)C(=O)OCC 62a_100000695697_100000751147 [0,2,0,0,0,0|1,0,0]=3 4389 B13R0.390 CCCC(SCOCC)C(=O)OCC 62a_100000695697_100000739092 [0,2,0,0,0,0|1,0,0]=3 4390 B13R0.390 CCCC(SCOCC)C(=O)OCC 62a_100000739092_100000695697 [0,2,0,0,0,0|1,0,0]=3 4391 B13R0.390 CCCCCC(CCC)C(=O)CCC 1458a_200011416452_100000210303 [0,2,0,0,0,0|1,0,0]=3 4392 B13R0.390 CCCCCC(CCC)C(=O)CCF 1458a_200011416452_100011217306 [0,2,0,0,0,0|2,0,0]=4 4393 B13R0.390 CCCCCC(CCC)C(=O)CCO 1458a_200011416452_100000211926 [0,2,0,0,0,0|2,0,0]=4 4394 B13R0.390 CCCCCC(CCC)C(=O)NCC 11a_100015525214_200011416452 [0,2,0,0,0,0|1,0,0]=3 4395 B13R0.390 CCCCCC(CCC)C(=O)NCC 240690a_100015525214_200011416452 [0,2,0,0,0,0|1,0,0]=3 4396 B13R0.390 CCCCCC(CCC)C(=O)NCC 527a_100015525214_200011416452 [0,2,0,0,0,0|1,0,0]=3 4397 B13R0.390 CCCCCC(CCC)C(=O)NNC 22a_100016993582_200011416452 [0,2,0,0,0,0|2,0,0]=4 4398 B13R0.390 CCCCCC(NCC)C(=O)OCC 2230a_100015525214_200009813352 [0,2,0,0,0,0|0,0,0]=2 4399 B13R0.390 CCCCCC(OCC)C(=O)OCC 34a_100121572206_200009813352 [0,2,0,0,0,0|0,0,0]=2 4400 B13R0.390 CCCCCC(SCC)C(=O)OCC 62a_100000210202_200009813352 [0,2,0,0,0,0|0,0,0]=2 4401 B13R0.390 CCCCCC(SCC)C(=O)OCC 62a_200009813352_100000210202 [0,2,0,0,0,0|0,0,0]=2 4402 B13R0.390 CCCCCC(SCF)C(=O)OCC 62a_100015361967_200009813352 [0,2,0,0,0,0|1,0,0]=3 4403 B13R0.390 CCCCCC(SCF)C(=O)OCC 62a_200009813352_100015361967 [0,2,0,0,0,0|1,0,0]=3 4404 B13R0.390 CCCCCN(CCC)C(=O)CCC 11a_200000226819_100000211992 [0,2,0,0,0,0|2,0,0]=4 4405 B13R0.390 CCCCCN(CCC)C(=O)CCC 1626a_200000226819_100000211992 [0,2,0,0,0,0|2,0,0]=4 4406 B13R0.390 CCCCCN(CCC)C(=O)CCC 240690a_200000226819_100000211992 [0,2,0,0,0,0|2,0,0]=4 4407 B13R0.390 CCCCCN(CCC)C(=O)CCC 527a_200000226819_100000211992 [0,2,0,0,0,0|2,0,0]=4 4408 B13R0.390 CCCCCN(CCC)C(=O)NCC 2708a_100015525214_200000226819 [0,2,0,0,0,0|2,0,0]=4 4409 B13R0.390 CCCCCN(CCC)C(=O)NCC 273464a_100015525214_200000226819 [0,2,0,0,0,0|2,0,0]=4 4410 B13R0.390 CCCCCN(CCO)C(=O)CCC 240690a_100000224656_100000211992 [0,2,0,0,0,0|2,0,0]=4 4411 B13R0.390 CCCCCN(CCO)C(=O)CCC 527a_100000224656_100000211992 [0,2,0,0,0,0|2,0,0]=4 4412 B13R0.390 CCCCCN(CCO)C(=O)NCC 2708a_100015525214_100000224656 [0,2,0,0,0,0|2,0,0]=4 4413 B13R0.390 CCCCCN(CCO)C(=O)NCC 273464a_100015525214_100000224656 [0,2,0,0,0,0|2,0,0]=4 4414 B13R0.390 CCCCNC(CCC)C(=O)OCC 2230a_100000102301_100000695697 [0,2,0,0,0,0|0,0,0]=2 4415 B13R0.390 CCCCNC(CCC)C(=O)OCC 7a_106832991798_100000695697 [0,2,0,0,0,0|0,0,0]=2 4416 B13R0.390 CCCCOC(CCC)C(=O)CCC 34a_200011216804_100000210210 [0,2,0,0,0,0|1,0,0]=3 4417 B13R0.390 CCCCOC(CCC)C(=O)CCC 7a_200011216804_100000210211 [0,2,0,0,0,0|1,0,0]=3 4418 B13R0.390 CCCCOC(CCC)C(=O)OCC 34a_100000210227_100000695697 [0,2,0,0,0,0|0,0,0]=2 4419 B13R0.390 CCCCOC(CCC)C(=O)OCC 34a_200011218214_100000210210 [0,2,0,0,0,0|0,0,0]=2 4420 B13R0.390 CCCCOC(CCC)C(=O)OCC 7a_100000210227_100000695697 [0,2,0,0,0,0|0,0,0]=2 4421 B13R0.390 CCCCOC(CCC)C(=O)OCC 7a_200011218214_100000210211 [0,2,0,0,0,0|0,0,0]=2 4422 B13R0.390 CCCCOC(OCC)C(=O)OCC 34a_100000210227_100000033883 [0,2,0,0,0,0|0,0,0]=2 4423 B13R0.390 CCCCSC(CCC)C(=O)OCC 62a_100000210211_100000695697 [0,2,0,0,0,0|0,0,0]=2 4424 B13R0.390 CCCCSC(CCC)C(=O)OCC 62a_100000695697_100000210210 [0,2,0,0,0,0|0,0,0]=2 4425 B13R0.390 CCCCSC(OCC)C(=O)OCC 62a_100000033883_100000210210 [0,2,0,0,0,0|0,0,0]=2 4426 B13R0.390 CCCCSC(OCC)C(=O)OCC 62a_100000210211_100000033883 [0,2,0,0,0,0|0,0,0]=2 4427 B13R0.390 CCCNN=C(CCC)C(=O)OCC 4a_100000740057_100011997676 [0,2,0,0,0,0|1,0,1]=4 4428 B13R0.390 CCOC(=O)C(NCCCF)OCC 34a_100015189416_100000033883 [0,2,0,0,0,0|1,0,0]=3 4429 B13R0.390 CCOC(=O)C(OCC)OCCCBr 34a_100011217188_100000033883 [0,2,0,0,0,0|1,0,0]=3 4430 B13R0.390 CCOC(=O)C(OCC)OCCCCl 34a_100000230001_100000033883 [0,2,0,0,0,0|1,0,0]=3 4431 B13R0.390 CCOC(=O)C(OCC)OCCCF 34a_100000759539_100000033883 [0,2,0,0,0,0|1,0,0]=3 4432 B13R0.390 CCOC(=O)C(OCC)OCCCN 34a_100000182051_100000033883 [0,2,0,0,0,0|1,0,0]=3 4433 B13R0.390 CCOC(=O)C(OCC)OCCOC 34a_100000210237_100000033883 [0,2,0,0,0,0|1,0,0]=3 4434 B13R0.390 CCOC(=O)C(OCC)OCCON 34a_100000700252_100000033883 [0,2,0,0,0,0|2,0,0]=4 4435 B13R0.390 CCOC(=O)C(OCC)OCCSC 34a_100000230434_100000033883 [0,2,0,0,0,0|1,0,0]=3 4436 B13R0.390 CCOC(=O)C(OCC)SCCC#N 62a_100000033883_100011215226 [0,2,0,0,0,0|1,0,1]=4 4437 B13R0.390 CCOC(=O)C(OCC)SCCC#N 62a_100011215226_100000033883 [0,2,0,0,0,0|1,0,1]=4 4438 B13R0.390 CCOC(=O)C(OCC)SCCCF 62a_100000033883_100011934791 [0,2,0,0,0,0|1,0,0]=3 4439 B13R0.390 CCOC(=O)C(OCC)SCCCF 62a_100011934791_100000033883 [0,2,0,0,0,0|1,0,0]=3 4440 B13R0.390 CCOC(=O)C(OCC)SCCCO 62a_100000033883_100011215043 [0,2,0,0,0,0|1,0,0]=3 4441 B13R0.390 CCOC(=O)C(OCC)SCCCO 62a_100011215043_100000033883 [0,2,0,0,0,0|1,0,0]=3 4442 B13R0.390 CCOC(=O)C(OCC)SCCOC 62a_100000033883_100000233755 [0,2,0,0,0,0|1,0,0]=3 4443 B13R0.390 CCOC(=O)C(OCC)SCCOC 62a_100000233755_100000033883 [0,2,0,0,0,0|1,0,0]=3 4444 B13R0.390 CCOC(=O)C(OCC)SCCSC 62a_100000033883_100000751147 [0,2,0,0,0,0|1,0,0]=3 4445 B13R0.390 CCOC(=O)C(OCC)SCCSC 62a_100000212216_100000033883 [0,2,0,0,0,0|1,0,0]=3 4446 B13R0.390 CCOCSC(OCC)C(=O)OCC 62a_100000033883_100000739092 [0,2,0,0,0,0|1,0,0]=3 4447 B13R0.390 CCOCSC(OCC)C(=O)OCC 62a_100000739092_100000033883 [0,2,0,0,0,0|1,0,0]=3 4448 B13R0.447 CCCCC(CCC)C(=O)C=C(C)C 1458a_100000211388_100000211913 [0,2,0,0,0,0|1,0,1]=4 4449 B13R0.447 CCCCC(CCC)C(=O)C=C(C)Cl 1458a_200042562850_100000211913 [0,2,0,0,0,0|1,0,1]=4 4450 B13R0.447 CCCCC(CCC)C(=O)C=C(C)I 1458a_100025716642_100000211913 [0,2,0,0,0,0|1,0,1]=4 4451 B13R0.447 CCCCC(CCC)C(=O)CC(C)C 1458a_100000210554_100000211913 [0,2,0,0,0,0|1,0,0]=3 4452 B13R0.447 CCCCC(CCC)C(=O)CN(C)C 1458a_100000750896_100000211913 [0,2,0,0,0,0|2,0,0]=4 4453 B13R0.447 CCCCC(CCC)C(=O)C[C@@H](C)O 1458a_100011933948_100000211913 [0,2,0,0,0,0|1,0,0]=3 4454 B13R0.447 CCCCC(CCC)C(=O)C[S+](C)C 1458a_200159257847_100000211913 [0,2,0,0,0,0|2,0,0]=4 4455 B13R0.447 CCCCN(CCC)C(=O)CC(C)C 11a_200000207744_100000210554 [0,2,0,0,0,0|2,0,0]=4 4456 B13R0.447 CCCCN(CCC)C(=O)CC(C)C 1626a_200000207744_100000210554 [0,2,0,0,0,0|2,0,0]=4 4457 B13R0.447 CCCCN(CCC)C(=O)CC(C)C 240690a_200000207744_100000210554 [0,2,0,0,0,0|2,0,0]=4 4458 B13R0.447 CCCCN(CCC)C(=O)CC(C)C 527a_200000207744_100000210554 [0,2,0,0,0,0|2,0,0]=4 4459 B13R0.447 CCCCN(CCC)C(=O)C[C@@H](C)O 240690a_200000207744_100011933948 [0,2,0,0,0,0|2,0,0]=4 4460 B13R0.447 CCCCN(CCC)C(=O)NC(C)C 2708a_100138425928_200000207744 [0,2,0,0,0,0|2,0,0]=4 4461 B13R0.447 CCCCN(CCC)C(=O)NC(C)C 273464a_100138425928_200000207744 [0,2,0,0,0,0|2,0,0]=4 4462 B13R0.447 CCCCN(CCO)C(=O)CC(C)C 240690a_100000198060_100000210554 [0,2,0,0,0,0|2,0,0]=4 4463 B13R0.447 CCCCN(CCO)C(=O)C[C@@H](C)O 240690a_100000198060_100011933948 [0,2,0,0,0,0|2,0,0]=4 4464 B13R0.447 CCCCN(CCO)C(=O)NC(C)C 2708a_100138425928_100000198060 [0,2,0,0,0,0|2,0,0]=4 4465 B13R0.447 CCCCN(CCO)C(=O)NC(C)C 273464a_100138425928_100000198060 [0,2,0,0,0,0|2,0,0]=4 4466 B13R0.1175 CCCC(=O)C(CCC)OC(C)CC 34a_200011216804_100011215416 [0,2,0,0,0,0|2,0,0]=4 4467 B13R0.1175 CCCC(=O)C(CCC)OC(C)CC 7a_200011216804_100000758301 [0,2,0,0,0,0|2,0,0]=4 4468 B13R0.1175 CCCC(NC(C)CC)C(=O)OCC 2230a_100000209981_100000695697 [0,2,0,0,0,0|1,0,0]=3 4469 B13R0.1175 CCCC(N[C@H](C)CO)C(=O)OCC 2230a_100000737577_100000695697 [0,2,0,0,0,0|2,0,0]=4 4470 B13R0.1175 CCCC(OC(C)CC)C(=O)OCC 34a_200011218214_100011215416 [0,2,0,0,0,0|1,0,0]=3 4471 B13R0.1175 CCCC(OC(C)CC)C(=O)OCC 7a_100000210228_100000695697 [0,2,0,0,0,0|1,0,0]=3 4472 B13R0.1175 CCCC(OC(C)CC)C(=O)OCC 7a_200011218214_100000758301 [0,2,0,0,0,0|1,0,0]=3 4473 B13R0.1175 CCCC(OC(C)CF)C(=O)OCC 34a_100016041109_100000695697 [0,2,0,0,0,0|2,0,0]=4 4474 B13R0.1175 CCCC(OC(C)CF)C(=O)OCC 7a_100016041109_100000695697 [0,2,0,0,0,0|2,0,0]=4 4475 B13R0.1175 CCCC(OC(C)CN)C(=O)OCC 34a_100000210904_100000695697 [0,2,0,0,0,0|2,0,0]=4 4476 B13R0.1175 CCCC(OC(C)CO)C(=O)OCC 34a_200011218214_100012180447 [0,2,0,0,0,0|2,0,0]=4 4477 B13R0.1175 CCCC(OC(C)CO)C(=O)OCC 7a_200011218214_100012180447 [0,2,0,0,0,0|2,0,0]=4 4478 B13R0.1175 CCCC(SC(C)CC)C(=O)OCC 62a_100000695697_100000758301 [0,2,0,0,0,0|1,0,0]=3 4479 B13R0.1175 CCCC(SC(C)CC)C(=O)OCC 62a_100000758301_100000695697 [0,2,0,0,0,0|1,0,0]=3 4480 B13R0.1175 CCCC(SC(C)CO)C(=O)OCC 62a_100012180447_100000695697 [0,2,0,0,0,0|2,0,0]=4 4481 B13R0.1175 CCCC(SC(C)OC)C(=O)OCC 62a_100000695697_100009879195 [0,2,0,0,0,0|2,0,0]=4 4482 B13R0.1175 CCCC(SC(C)OC)C(=O)OCC 62a_100009879195_100000695697 [0,2,0,0,0,0|2,0,0]=4 4483 B13R0.1175 CCCC(S[C@H](C)CO)C(=O)OCC 62a_100000695697_100016084084 [0,2,0,0,0,0|2,0,0]=4 4484 B13R0.1175 CCCC(S[C@H](C)CO)C(=O)OCC 62a_100016084084_100000695697 [0,2,0,0,0,0|2,0,0]=4 4485 B13R0.1175 CCC[C@H](NC(=O)CC)C(=O)OCC 188690a_100000056038_100000210414 [0,2,0,0,0,0|1,0,1]=4 4486 B13R0.1175 CCOC(=O)C(CSC)NC(=O)CC 188690a_100025773501_100000210414 [0,2,0,0,0,0|1,0,1]=4 4487 B13R0.1175 CCOC(=O)C(OCC)OC(C)CF 34a_100016041109_100000033883 [0,2,0,0,0,0|2,0,0]=4 4488 B13R0.1175 CCOC(=O)C(OCC)OC(C)CN 34a_100000210904_100000033883 [0,2,0,0,0,0|2,0,0]=4 4489 B13R0.1175 CCOC(=O)C(OCC)SC(C)CC 62a_100000033883_100000758301 [0,2,0,0,0,0|1,0,0]=3 4490 B13R0.1175 CCOC(=O)C(OCC)SC(C)CC 62a_100000758301_100000033883 [0,2,0,0,0,0|1,0,0]=3 4491 B13R0.1175 CCOC(=O)C(OCC)SC(C)CO 62a_100012180447_100000033883 [0,2,0,0,0,0|2,0,0]=4 4492 B13R0.1175 CCOC(=O)C(OCC)SC(C)OC 62a_100000033883_100009879195 [0,2,0,0,0,0|2,0,0]=4 4493 B13R0.1175 CCOC(=O)C(OCC)SC(C)OC 62a_100009879195_100000033883 [0,2,0,0,0,0|2,0,0]=4 4494 B13R0.1175 CCOC(=O)C(OCC)S[C@H](C)CO 62a_100000033883_100016084084 [0,2,0,0,0,0|2,0,0]=4 4495 B13R0.1175 CCOC(=O)C(OCC)S[C@H](C)CO 62a_100016084084_100000033883 [0,2,0,0,0,0|2,0,0]=4 4496 B13R0.1177 C=C(C)COC(CCC)C(=O)OCC 34a_100000210245_100000695697 [0,2,0,0,0,0|1,0,1]=4 4497 B13R0.1177 C=C(C)COC(CCC)C(=O)OCC 34a_200011218214_100000748629 [0,2,0,0,0,0|1,0,1]=4 4498 B13R0.1177 C=C(C)COC(CCC)C(=O)OCC 7a_200011218214_100000748629 [0,2,0,0,0,0|1,0,1]=4 4499 B13R0.1177 C=C(C)COC(OCC)C(=O)OCC 34a_100000210245_100000033883 [0,2,0,0,0,0|1,0,1]=4 4500 B13R0.1177 C=C(C)CSC(CCC)C(=O)OCC 62a_100000695697_100000211660 [0,2,0,0,0,0|1,0,1]=4 4501 B13R0.1177 C=C(C)CSC(CCC)C(=O)OCC 62a_100000748629_100000695697 [0,2,0,0,0,0|1,0,1]=4 4502 B13R0.1177 C=C(C)CSC(OCC)C(=O)OCC 62a_100000033883_100000211660 [0,2,0,0,0,0|1,0,1]=4 4503 B13R0.1177 C=C(C)CSC(OCC)C(=O)OCC 62a_100000748629_100000033883 [0,2,0,0,0,0|1,0,1]=4 4504 B13R0.1177 CCCC(=O)C(CCC)OCC(C)C 34a_200011216804_100000210624 [0,2,0,0,0,0|2,0,0]=4 4505 B13R0.1177 CCCC(=O)C(CCC)OCC(C)C 7a_200011216804_100000210760 [0,2,0,0,0,0|2,0,0]=4 4506 B13R0.1177 CCCC(=O)C(CCC)OCC(C)O 34a_200011216804_100011218427 [0,2,0,0,0,0|2,0,0]=4 4507 B13R0.1177 CCCC(=O)C(CCC)OCC(C)O 7a_200011216804_100011218427 [0,2,0,0,0,0|2,0,0]=4 4508 B13R0.1177 CCCC(=O)C(CCC)OC[C@@H](C)O 34a_200011216804_100009817552 [0,2,0,0,0,0|2,0,0]=4 4509 B13R0.1177 CCCC(=O)C(CCC)OC[C@@H](C)O 7a_200011216804_100009817552 [0,2,0,0,0,0|2,0,0]=4 4510 B13R0.1177 CCCC(NCC(C)C)C(=O)OCC 2230a_100000210953_100000695697 [0,2,0,0,0,0|1,0,0]=3 4511 B13R0.1177 CCCC(NCC(C)C)C(=O)OCC 34a_100000210953_100000695697 [0,2,0,0,0,0|1,0,0]=3 4512 B13R0.1177 CCCC(NCC(C)O)C(=O)OCC 2230a_100000210904_100000695697 [0,2,0,0,0,0|1,0,0]=3 4513 B13R0.1177 CCCC(NCC(C)O)C(=O)OCC 34a_100000210904_100000695697 [0,2,0,0,0,0|1,0,0]=3 4514 B13R0.1177 CCCC(NCC(F)F)C(=O)OCC 34a_100000765723_100000695697 [0,2,0,0,0,0|2,0,0]=4 4515 B13R0.1177 CCCC(OCC(=O)C)C(=O)OCC 34a_100000211253_100000695697 [0,2,0,0,0,0|1,0,1]=4 4516 B13R0.1177 CCCC(OCC(C)Br)C(=O)OCC 34a_100012180447_100000695697 [0,2,0,0,0,0|1,0,0]=3 4517 B13R0.1177 CCCC(OCC(C)C)C(=O)OCC 34a_100000210257_100000695697 [0,2,0,0,0,0|1,0,0]=3 4518 B13R0.1177 CCCC(OCC(C)C)C(=O)OCC 34a_200011218214_100000210624 [0,2,0,0,0,0|1,0,0]=3 4519 B13R0.1177 CCCC(OCC(C)C)C(=O)OCC 7a_200011218214_100000210760 [0,2,0,0,0,0|1,0,0]=3 4520 B13R0.1177 CCCC(OCC(C)F)C(=O)OCC 34a_100015925927_100000695697 [0,2,0,0,0,0|1,0,0]=3 4521 B13R0.1177 CCCC(OCC(C)O)C(=O)OCC 34a_200011218214_100011218427 [0,2,0,0,0,0|1,0,0]=3 4522 B13R0.1177 CCCC(OCC(C)O)C(=O)OCC 7a_200011218214_100011218427 [0,2,0,0,0,0|1,0,0]=3 4523 B13R0.1177 CCCC(OCC(F)F)C(=O)OCC 34a_100000743014_100000695697 [0,2,0,0,0,0|2,0,0]=4 4524 B13R0.1177 CCCC(OCC(F)F)C(=O)OCC 34a_200011218214_100011934356 [0,2,0,0,0,0|2,0,0]=4 4525 B13R0.1177 CCCC(OCC(F)F)C(=O)OCC 7a_200011218214_100011934356 [0,2,0,0,0,0|2,0,0]=4 4526 B13R0.1177 CCCC(OC[C@@H](C)Cl)C(=O)OCC 34a_100016084084_100000695697 [0,2,0,0,0,0|1,0,0]=3 4527 B13R0.1177 CCCC(OC[C@@H](C)N)C(=O)OCC 34a_100000737577_100000695697 [0,2,0,0,0,0|1,0,0]=3 4528 B13R0.1177 CCCC(OC[C@@H](C)O)C(=O)OCC 34a_200011218214_100009817552 [0,2,0,0,0,0|1,0,0]=3 4529 B13R0.1177 CCCC(OC[C@@H](C)O)C(=O)OCC 7a_200011218214_100009817552 [0,2,0,0,0,0|1,0,0]=3 4530 B13R0.1177 CCCC(SCC(C)C)C(=O)OCC 62a_100000210624_100000695697 [0,2,0,0,0,0|1,0,0]=3 4531 B13R0.1177 CCCC(SCC(C)C)C(=O)OCC 62a_100000695697_100000210760 [0,2,0,0,0,0|1,0,0]=3 4532 B13R0.1177 CCCC(SCC(C)O)C(=O)OCC 62a_100000695697_100011218427 [0,2,0,0,0,0|1,0,0]=3 4533 B13R0.1177 CCCC(SCC(C)O)C(=O)OCC 62a_100011218427_100000695697 [0,2,0,0,0,0|1,0,0]=3 4534 B13R0.1177 CCCC(SCC(F)F)C(=O)OCC 62a_100000695697_100011934356 [0,2,0,0,0,0|2,0,0]=4 4535 B13R0.1177 CCCC(SCC(F)F)C(=O)OCC 62a_100011934356_100000695697 [0,2,0,0,0,0|2,0,0]=4 4536 B13R0.1177 CCCC(SC[C@@H](C)O)C(=O)OCC 62a_100000695697_100009817552 [0,2,0,0,0,0|1,0,0]=3 4537 B13R0.1177 CCCC(SC[C@@H](C)O)C(=O)OCC 62a_100009817552_100000695697 [0,2,0,0,0,0|1,0,0]=3 4538 B13R0.1177 CCOC(=O)C(NCC(C)C)OCC 34a_100000210953_100000033883 [0,2,0,0,0,0|1,0,0]=3 4539 B13R0.1177 CCOC(=O)C(NCC(C)O)OCC 34a_100000210904_100000033883 [0,2,0,0,0,0|1,0,0]=3 4540 B13R0.1177 CCOC(=O)C(NCC(F)F)OCC 34a_100000765723_100000033883 [0,2,0,0,0,0|2,0,0]=4 4541 B13R0.1177 CCOC(=O)C(OCC)OCC(=O)C 34a_100000211253_100000033883 [0,2,0,0,0,0|1,0,1]=4 4542 B13R0.1177 CCOC(=O)C(OCC)OCC(C)Br 34a_100012180447_100000033883 [0,2,0,0,0,0|1,0,0]=3 4543 B13R0.1177 CCOC(=O)C(OCC)OCC(C)C 34a_100000210257_100000033883 [0,2,0,0,0,0|1,0,0]=3 4544 B13R0.1177 CCOC(=O)C(OCC)OCC(C)F 34a_100015925927_100000033883 [0,2,0,0,0,0|1,0,0]=3 4545 B13R0.1177 CCOC(=O)C(OCC)OCC(F)F 34a_100000743014_100000033883 [0,2,0,0,0,0|2,0,0]=4 4546 B13R0.1177 CCOC(=O)C(OCC)OC[C@@H](C)Cl 34a_100016084084_100000033883 [0,2,0,0,0,0|1,0,0]=3 4547 B13R0.1177 CCOC(=O)C(OCC)OC[C@@H](C)N 34a_100000737577_100000033883 [0,2,0,0,0,0|1,0,0]=3 4548 B13R0.1177 CCOC(=O)C(OCC)SCC(C)C 62a_100000033883_100000210760 [0,2,0,0,0,0|1,0,0]=3 4549 B13R0.1177 CCOC(=O)C(OCC)SCC(C)C 62a_100000210624_100000033883 [0,2,0,0,0,0|1,0,0]=3 4550 B13R0.1177 CCOC(=O)C(OCC)SCC(C)O 62a_100000033883_100011218427 [0,2,0,0,0,0|1,0,0]=3 4551 B13R0.1177 CCOC(=O)C(OCC)SCC(C)O 62a_100011218427_100000033883 [0,2,0,0,0,0|1,0,0]=3 4552 B13R0.1177 CCOC(=O)C(OCC)SCC(F)F 62a_100000033883_100011934356 [0,2,0,0,0,0|2,0,0]=4 4553 B13R0.1177 CCOC(=O)C(OCC)SCC(F)F 62a_100011934356_100000033883 [0,2,0,0,0,0|2,0,0]=4 4554 B13R0.1177 CCOC(=O)C(OCC)SC[C@@H](C)O 62a_100000033883_100009817552 [0,2,0,0,0,0|1,0,0]=3 4555 B13R0.1177 CCOC(=O)C(OCC)SC[C@@H](C)O 62a_100009817552_100000033883 [0,2,0,0,0,0|1,0,0]=3 4556 B13R0.1307 C#CC(=O)C(CCCC)C(=O)OCC 1458a_100000211873_200009813700 [0,2,0,0,0,0|0,0,2]=4 4557 B13R0.1307 C=CC(=O)C(CCCC)C(=O)OCC 1458a_100000185746_200009813700 [0,2,0,0,0,0|0,0,2]=4 4558 B13R0.1307 CCCCC(C(=O)CC)C(=O)OCC 1458a_100000210414_200009813700 [0,2,0,0,0,0|0,0,0]=2 4559 B13R0.1307 CCCCC(C(=O)CCC)C(=O)OC 1458a_100000211992_100000750740 [0,2,0,0,0,0|1,0,1]=4 4560 B13R0.1307 CCCCC(C(=O)CO)C(=O)OCC 1458a_100000210174_200009813700 [0,2,0,0,0,0|0,0,1]=3 4561 B13R0.1307 CCCCC(C(=O)OCC)N(C)CC 2230a_100000225621_200009813700 [0,2,0,0,0,0|0,0,0]=2 4562 B13R0.1307 CCCCC(C(=O)OCC)N(C)CC 269982a_100000225621_200009813700 [0,2,0,0,0,0|0,0,0]=2 4563 B13R0.1307 CCCCN(C(=O)CCC)C(C)CC 11a_100000207357_100000211992 [0,2,0,0,0,0|2,0,0]=4 4564 B13R0.1307 CCCCN(C(=O)CCC)C(C)CC 1626a_100000207357_100000211992 [0,2,0,0,0,0|2,0,0]=4 4565 B13R0.1307 CCCCN(C(=O)CCC)C(C)CC 240690a_100000207357_100000211992 [0,2,0,0,0,0|2,0,0]=4 4566 B13R0.1307 CCCCN(C(=O)CCC)C(C)CC 527a_100000207357_100000211992 [0,2,0,0,0,0|2,0,0]=4 4567 B13R0.1307 CCCCN(C(=O)NCC)C(C)CC 2708a_100015525214_100000207357 [0,2,0,0,0,0|2,0,0]=4 4568 B13R0.1307 CCCCN(C(=O)NCC)C(C)CC 273464a_100015525214_100000207357 [0,2,0,0,0,0|2,0,0]=4 4569 B13R0.1307 CCCSC(C(=O)CC)C(=O)OCC 62a_100000210303_100000687759 [0,2,0,0,0,0|1,0,0]=3 4570 B13R0.1307 CCCSC(C(=O)CC)C(=O)OCC 62a_100000687759_100000210303 [0,2,0,0,0,0|1,0,0]=3 4571 B13R0.1307 CCOC(=O)C(SCCF)C(=O)CC 62a_100000687759_100011217306 [0,2,0,0,0,0|2,0,0]=4 4572 B13R0.1307 CCOC(=O)C(SCCF)C(=O)CC 62a_100011217306_100000687759 [0,2,0,0,0,0|2,0,0]=4 4573 B13R0.1307 CCOC(=O)C(SCCO)C(=O)CC 62a_100000211926_100000687759 [0,2,0,0,0,0|2,0,0]=4 4574 B13R0.1307 CCOC(=O)C(SCCO)C(=O)CC 62a_100000687759_100000211926 [0,2,0,0,0,0|2,0,0]=4 4575 B13R0.1307 CCOC(=O)C(SCOC)C(=O)CC 62a_100000687759_100000766300 [0,2,0,0,0,0|2,0,0]=4 4576 B13R0.1307 CCOC(=O)C(SCOC)C(=O)CC 62a_100000766300_100000687759 [0,2,0,0,0,0|2,0,0]=4 4577 B13R0.1307 CCOC(=O)C(SCSC)C(=O)CC 62a_100000687759_100011218213 [0,2,0,0,0,0|2,0,0]=4 4578 B13R0.1307 CCOC(=O)C(SCSC)C(=O)CC 62a_100011218213_100000687759 [0,2,0,0,0,0|2,0,0]=4 4579 B13R0.1317 C#CCNC(CCCC)C(=O)OCC 34a_100000212058_200009813700 [0,2,0,0,0,0|0,0,1]=3 4580 B13R0.1317 C#CCOC(CCCC)C(=O)OCC 34a_100000210247_200009813700 [0,2,0,0,0,0|0,0,1]=3 4581 B13R0.1317 C#CCOC(CCCC)C(=O)OCC 34a_200011215408_100000184674 [0,2,0,0,0,0|0,0,1]=3 4582 B13R0.1317 C#CCOC(CCCC)C(=O)OCC 7a_200011215408_100000038162 [0,2,0,0,0,0|0,0,1]=3 4583 B13R0.1317 C#CCSC(CCCC)C(=O)OCC 62a_100000038162_200009813700 [0,2,0,0,0,0|0,0,1]=3 4584 B13R0.1317 C=CCNC(CCCC)C(=O)OCC 2230a_100020586998_200009813700 [0,2,0,0,0,0|0,0,1]=3 4585 B13R0.1317 C=CCOC(CCCC)C(=O)OCC 34a_200000210373_200009813700 [0,2,0,0,0,0|0,0,1]=3 4586 B13R0.1317 C=CCOC(CCCC)C(=O)OCC 34a_200011215408_100015514636 [0,2,0,0,0,0|0,0,1]=3 4587 B13R0.1317 C=CCOC(CCCC)C(=O)OCC 7a_200011215408_100015514636 [0,2,0,0,0,0|0,0,1]=3 4588 B13R0.1317 C=CCSC(CCCC)C(=O)OCC 62a_100000210623_200009813700 [0,2,0,0,0,0|0,0,1]=3 4589 B13R0.1317 C=CCSC(CCCC)C(=O)OCC 62a_200009813700_100000210623 [0,2,0,0,0,0|0,0,1]=3 4590 B13R0.1317 CCCCC(=NNCC)C(=O)OCC 4a_100000756455_100000097197 [0,2,0,0,0,0|0,0,1]=3 4591 B13R0.1317 CCCCC(CCCC)C(=O)CCC 1458a_100000078208_100000210303 [0,2,0,0,0,0|1,0,0]=3 4592 B13R0.1317 CCCCC(CCCC)C(=O)CCF 1458a_100000078208_100011217306 [0,2,0,0,0,0|2,0,0]=4 4593 B13R0.1317 CCCCC(CCCC)C(=O)CCO 1458a_100000078208_100000211926 [0,2,0,0,0,0|2,0,0]=4 4594 B13R0.1317 CCCCC(CCCC)C(=O)NCC 11a_100015525214_100000078208 [0,2,0,0,0,0|1,0,0]=3 4595 B13R0.1317 CCCCC(CCCC)C(=O)NCC 240690a_100015525214_100000078208 [0,2,0,0,0,0|1,0,0]=3 4596 B13R0.1317 CCCCC(CCCC)C(=O)NCC 527a_100015525214_100000078208 [0,2,0,0,0,0|1,0,0]=3 4597 B13R0.1317 CCCCC(CCCC)C(=O)NNC 22a_100016993582_100000078208 [0,2,0,0,0,0|2,0,0]=4 4598 B13R0.1317 CCCCC(NCCF)C(=O)OCC 34a_100000724931_200009813700 [0,2,0,0,0,0|0,0,0]=2 4599 B13R0.1317 CCCCC(NCCO)C(=O)OCC 2230a_100016997473_200009813700 [0,2,0,0,0,0|0,0,0]=2 4600 B13R0.1317 CCCCC(NCCO)C(=O)OCC 34a_100016990907_200009813700 [0,2,0,0,0,0|0,0,0]=2 4601 B13R0.1317 CCCCC(OCC#N)C(=O)OCC 7a_200011215408_100011215382 [0,2,0,0,0,0|0,0,1]=3 4602 B13R0.1317 CCCCC(OCC=O)C(=O)OCC 34a_200011215408_200009817547 [0,2,0,0,0,0|0,0,1]=3 4603 B13R0.1317 CCCCC(OCC=O)C(=O)OCC 7a_200011215408_200015260668 [0,2,0,0,0,0|0,0,1]=3 4604 B13R0.1317 CCCCC(OCCBr)C(=O)OCC 34a_100000211926_200009813700 [0,2,0,0,0,0|0,0,0]=2 4605 B13R0.1317 CCCCC(OCCC)C(=O)OCC 34a_100000210258_200009813700 [0,2,0,0,0,0|0,0,0]=2 4606 B13R0.1317 CCCCC(OCCC)C(=O)OCC 34a_200011215408_100000210303 [0,2,0,0,0,0|0,0,0]=2 4607 B13R0.1317 CCCCC(OCCC)C(=O)OCC 7a_200011215408_100000210303 [0,2,0,0,0,0|0,0,0]=2 4608 B13R0.1317 CCCCC(OCCF)C(=O)OCC 34a_200011215408_100011217306 [0,2,0,0,0,0|0,0,0]=2 4609 B13R0.1317 CCCCC(OCCF)C(=O)OCC 7a_200011215408_100011217306 [0,2,0,0,0,0|0,0,0]=2 4610 B13R0.1317 CCCCC(OCCN)C(=O)OCC 34a_100000210304_200009813700 [0,2,0,0,0,0|0,0,0]=2 4611 B13R0.1317 CCCCC(OCCO)C(=O)OCC 34a_200011215408_100000211926 [0,2,0,0,0,0|0,0,0]=2 4612 B13R0.1317 CCCCC(OCCO)C(=O)OCC 7a_200011215408_100000211926 [0,2,0,0,0,0|0,0,0]=2 4613 B13R0.1317 CCCCC(OCSC)C(=O)OCC 34a_200011215408_100011218213 [0,2,0,0,0,0|0,0,0]=2 4614 B13R0.1317 CCCCC(SCC#N)C(=O)OCC 62a_100011215382_200009813700 [0,2,0,0,0,0|0,0,1]=3 4615 B13R0.1317 CCCCC(SCC#N)C(=O)OCC 62a_200009813700_100011215382 [0,2,0,0,0,0|0,0,1]=3 4616 B13R0.1317 CCCCC(SCC=O)C(=O)OCC 62a_200009813700_200015260668 [0,2,0,0,0,0|0,0,1]=3 4617 B13R0.1317 CCCCC(SCC=O)C(=O)OCC 62a_200015260668_200009813700 [0,2,0,0,0,0|0,0,1]=3 4618 B13R0.1317 CCCCC(SCCC)C(=O)OCC 62a_100000210303_200009813700 [0,2,0,0,0,0|0,0,0]=2 4619 B13R0.1317 CCCCC(SCCC)C(=O)OCC 62a_200009813700_100000210303 [0,2,0,0,0,0|0,0,0]=2 4620 B13R0.1317 CCCCC(SCCF)C(=O)OCC 62a_100011217306_200009813700 [0,2,0,0,0,0|0,0,0]=2 4621 B13R0.1317 CCCCC(SCCF)C(=O)OCC 62a_200009813700_100011217306 [0,2,0,0,0,0|0,0,0]=2 4622 B13R0.1317 CCCCC(SCCO)C(=O)OCC 62a_100000211926_200009813700 [0,2,0,0,0,0|0,0,0]=2 4623 B13R0.1317 CCCCC(SCCO)C(=O)OCC 62a_200009813700_100000211926 [0,2,0,0,0,0|0,0,0]=2 4624 B13R0.1317 CCCCC(SCOC)C(=O)OCC 62a_100000766300_200009813700 [0,2,0,0,0,0|0,0,0]=2 4625 B13R0.1317 CCCCC(SCOC)C(=O)OCC 62a_200009813700_100000766300 [0,2,0,0,0,0|0,0,0]=2 4626 B13R0.1317 CCCCC(SCSC)C(=O)OCC 62a_100011218213_200009813700 [0,2,0,0,0,0|0,0,0]=2 4627 B13R0.1317 CCCCC(SCSC)C(=O)OCC 62a_200009813700_100011218213 [0,2,0,0,0,0|0,0,0]=2 4628 B13R0.1317 CCCCN(CCC#N)C(=O)CCC 11a_200000177648_100000211992 [0,2,0,0,0,0|2,0,0]=4 4629 B13R0.1317 CCCCN(CCC#N)C(=O)CCC 1626a_200000177648_100000211992 [0,2,0,0,0,0|2,0,0]=4 4630 B13R0.1317 CCCCN(CCC#N)C(=O)CCC 240690a_200000177648_100000211992 [0,2,0,0,0,0|2,0,0]=4 4631 B13R0.1317 CCCCN(CCC#N)C(=O)NCC 2708a_100015525214_200000177648 [0,2,0,0,0,0|2,0,0]=4 4632 B13R0.1317 CCCCN(CCC#N)C(=O)NCC 273464a_100015525214_200000177648 [0,2,0,0,0,0|2,0,0]=4 4633 B13R0.1317 CCCCN(CCCC)C(=O)CCC 11a_100000684618_100000211992 [0,2,0,0,0,0|2,0,0]=4 4634 B13R0.1317 CCCCN(CCCC)C(=O)CCC 1626a_100000684618_100000211992 [0,2,0,0,0,0|2,0,0]=4 4635 B13R0.1317 CCCCN(CCCC)C(=O)CCC 240690a_100000684618_100000211992 [0,2,0,0,0,0|2,0,0]=4 4636 B13R0.1317 CCCCN(CCCC)C(=O)CCC 527a_100000684618_100000211992 [0,2,0,0,0,0|2,0,0]=4 4637 B13R0.1317 CCCCN(CCCC)C(=O)NCC 2708a_100015525214_100000684618 [0,2,0,0,0,0|2,0,0]=4 4638 B13R0.1317 CCCCN(CCCC)C(=O)NCC 273464a_100015525214_100000684618 [0,2,0,0,0,0|2,0,0]=4 4639 B13R0.1317 CCCCN(CCOC)C(=O)CCC 11a_100000207391_100000211992 [0,2,0,0,0,0|2,0,0]=4 4640 B13R0.1317 CCCCN(CCOC)C(=O)CCC 1626a_100000207391_100000211992 [0,2,0,0,0,0|2,0,0]=4 4641 B13R0.1317 CCCCN(CCOC)C(=O)CCC 240690a_100000207391_100000211992 [0,2,0,0,0,0|2,0,0]=4 4642 B13R0.1317 CCCCN(CCOC)C(=O)CCC 527a_100000207391_100000211992 [0,2,0,0,0,0|2,0,0]=4 4643 B13R0.1317 CCCCN(CCOC)C(=O)NCC 2708a_100015525214_100000207391 [0,2,0,0,0,0|2,0,0]=4 4644 B13R0.1317 CCCCN(CCOC)C(=O)NCC 273464a_100015525214_100000207391 [0,2,0,0,0,0|2,0,0]=4 4645 B13R0.84 CCOC(=O)C(CC)NC(C)C(C)C 2230a_100000211541_100000212269 [0,2,0,0,0,0|1,0,0]=3 4646 B13R0.84 CCOC(=O)C(CC)OC(C)C(=O)C 34a_100000212229_100000212269 [0,2,0,0,0,0|1,0,1]=4 4647 B13R0.84 CCOC(=O)C(CC)OC(C)C(=O)C 7a_100011216719_100000179758 [0,2,0,0,0,0|1,0,1]=4 4648 B13R0.84 CCOC(=O)C(CC)OC(C)C(C)C 7a_100000748068_100000212269 [0,2,0,0,0,0|1,0,0]=3 4649 B13R0.84 CCOC(=O)C(CC)SC(C)C(=O)C 62a_100000212269_100009814033 [0,2,0,0,0,0|1,0,1]=4 4650 B13R0.84 CCOC(=O)C(CC)SC(C)C(=O)C 62a_100009814033_100000212269 [0,2,0,0,0,0|1,0,1]=4 4651 B13R0.84 CCOC(=O)[C@H](CC)NC(=O)C(C)C 188690a_100025709693_100000210198 [0,2,0,0,0,0|1,0,1]=4 4652 B13R0.84 CCOC(=O)[C@H](CC)NC(=O)C(C)F 188690a_100025709693_100000062450 [0,2,0,0,0,0|1,0,1]=4 4653 B13R0.84 CCOC(=O)[C@H](CC)NC(=O)[C@@H](C)O 188690a_100025709693_100000717761 [0,2,0,0,0,0|1,0,1]=4 4654 B13R0.84 CCOC(=O)[C@H](CC)NC(=O)[C@H](C)O 188690a_100025709693_217856618621 [0,2,0,0,0,0|1,0,1]=4 4655 B13R0.108 CCC(C)C(=O)N(CC)CCC(C)C 11a_100000207693_100011192722 [0,2,0,0,0,0|2,0,0]=4 4656 B13R0.108 CCC(C)C(=O)N(CC)CCC(C)C 1626a_100000207693_100011192722 [0,2,0,0,0,0|2,0,0]=4 4657 B13R0.108 CCC(C)C(=O)N(CC)CCC(C)C 240690a_100000207693_100011192722 [0,2,0,0,0,0|2,0,0]=4 4658 B13R0.108 CCC(C)C(=O)N(CC)CCC(C)C 527a_100000207693_100011192722 [0,2,0,0,0,0|2,0,0]=4 4659 B13R0.108 CCC(O)C(=O)N(CC)CCC(C)C 240690a_100000207693_100011196387 [0,2,0,0,0,0|2,0,0]=4 4660 B13R0.129 CCC=CC(=O)N(CC)CCC(C)C 11a_100000207693_100000212282 [0,2,0,0,0,0|2,0,0]=4 4661 B13R0.129 CCC=CC(=O)N(CC)CCC(C)C 1626a_100000207693_100000212282 [0,2,0,0,0,0|2,0,0]=4 4662 B13R0.129 CCC=CC(=O)N(CC)CCC(C)C 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4749 B13R0.748 CCOC(=O)C(CC)NC[C@@H](C)OC 2230a_100020591295_100000212269 [0,2,0,0,0,0|1,0,0]=3 4750 B13R0.748 CCOC(=O)C(CC)NC[C@@H](F)CO 34a_100015665980_100000212269 [0,2,0,0,0,0|1,0,0]=3 4751 B13R0.748 CCOC(=O)C(CC)NC[C@H](O)CO 2230a_100020644852_100000212269 [0,2,0,0,0,0|1,0,0]=3 4752 B13R0.748 CCOC(=O)C(CC)OCC(=O)CC 34a_100000725409_100000212269 [0,2,0,0,0,0|0,0,1]=3 4753 B13R0.748 CCOC(=O)C(CC)OCC(=O)CC 7a_100011216719_100000747405 [0,2,0,0,0,0|0,0,1]=3 4754 B13R0.748 CCOC(=O)C(CC)OCC(=O)NC 34a_100000750040_100000212269 [0,2,0,0,0,0|1,0,1]=4 4755 B13R0.748 CCOC(=O)C(CC)OCC(=O)NC 34a_100011216719_100000183359 [0,2,0,0,0,0|1,0,1]=4 4756 B13R0.748 CCOC(=O)C(CC)OCC(=O)NC 7a_100011216719_100000183359 [0,2,0,0,0,0|1,0,1]=4 4757 B13R0.748 CCOC(=O)C(CC)OCC(=O)OC 34a_100011216719_100000747449 [0,2,0,0,0,0|1,0,1]=4 4758 B13R0.748 CCOC(=O)C(CC)OCC(=O)OC 7a_100011216719_100000747449 [0,2,0,0,0,0|1,0,1]=4 4759 B13R0.748 CCOC(=O)C(CC)OCC(C)CC 34a_100011216719_100000748023 [0,2,0,0,0,0|0,0,0]=2 4760 B13R0.748 CCOC(=O)C(CC)OCC(C)CC 7a_100011216719_100000748023 [0,2,0,0,0,0|0,0,0]=2 4761 B13R0.748 CCOC(=O)C(CC)OCC(C)CN 34a_100000744482_100000212269 [0,2,0,0,0,0|1,0,0]=3 4762 B13R0.748 CCOC(=O)C(CC)OCC(C)OC 34a_100000690652_100000212269 [0,2,0,0,0,0|1,0,0]=3 4763 B13R0.748 CCOC(=O)C(CC)OCC(Cl)CCl 34a_100000033668_100000212269 [0,2,0,0,0,0|1,0,0]=3 4764 B13R0.748 CCOC(=O)C(CC)OCC(O)CC 34a_100011216719_100011218378 [0,2,0,0,0,0|0,0,0]=2 4765 B13R0.748 CCOC(=O)C(CC)OCC(O)CC 7a_100011216719_100011218378 [0,2,0,0,0,0|0,0,0]=2 4766 B13R0.748 CCOC(=O)C(CC)OCC(O)CO 34a_100011216719_100011219619 [0,2,0,0,0,0|1,0,0]=3 4767 B13R0.748 CCOC(=O)C(CC)OCC(O)CO 7a_100011216719_100011219619 [0,2,0,0,0,0|1,0,0]=3 4768 B13R0.748 CCOC(=O)C(CC)OC[C@@H](C)CC 34a_100011216719_100009816398 [0,2,0,0,0,0|0,0,0]=2 4769 B13R0.748 CCOC(=O)C(CC)OC[C@@H](C)CC 7a_100009816381_100000212269 [0,2,0,0,0,0|0,0,0]=2 4770 B13R0.748 CCOC(=O)C(CC)OC[C@@H](C)CC 7a_100011216719_100009816398 [0,2,0,0,0,0|0,0,0]=2 4771 B13R0.748 CCOC(=O)C(CC)OC[C@@H](C)CO 34a_100011216719_100000059175 [0,2,0,0,0,0|1,0,0]=3 4772 B13R0.748 CCOC(=O)C(CC)OC[C@@H](C)CO 7a_100011216719_100000059175 [0,2,0,0,0,0|1,0,0]=3 4773 B13R0.748 CCOC(=O)C(CC)OC[C@@H](O)CF 34a_100011216719_100015614560 [0,2,0,0,0,0|1,0,0]=3 4774 B13R0.748 CCOC(=O)C(CC)OC[C@@H](O)CF 7a_100011216719_100015614560 [0,2,0,0,0,0|1,0,0]=3 4775 B13R0.748 CCOC(=O)C(CC)OC[C@@H](O)CO 34a_100011216719_100009815848 [0,2,0,0,0,0|1,0,0]=3 4776 B13R0.748 CCOC(=O)C(CC)OC[C@@H](O)CO 7a_100011216719_100009815848 [0,2,0,0,0,0|1,0,0]=3 4777 B13R0.748 CCOC(=O)C(CC)OC[C@H](F)CN 34a_100015665980_100000212269 [0,2,0,0,0,0|1,0,0]=3 4778 B13R0.748 CCOC(=O)C(CC)SCC(=O)CC 62a_100000212269_100000747405 [0,2,0,0,0,0|0,0,1]=3 4779 B13R0.748 CCOC(=O)C(CC)SCC(=O)CC 62a_100000747405_100000212269 [0,2,0,0,0,0|0,0,1]=3 4780 B13R0.748 CCOC(=O)C(CC)SCC(=O)NC 62a_100000183359_100000212269 [0,2,0,0,0,0|1,0,1]=4 4781 B13R0.748 CCOC(=O)C(CC)SCC(=O)NC 62a_100000212269_100000183359 [0,2,0,0,0,0|1,0,1]=4 4782 B13R0.748 CCOC(=O)C(CC)SCC(=O)OC 62a_100000212269_100000747449 [0,2,0,0,0,0|1,0,1]=4 4783 B13R0.748 CCOC(=O)C(CC)SCC(=O)OC 62a_100000747449_100000212269 [0,2,0,0,0,0|1,0,1]=4 4784 B13R0.748 CCOC(=O)C(CC)SCC(C)CC 62a_100000212269_100000748023 [0,2,0,0,0,0|0,0,0]=2 4785 B13R0.748 CCOC(=O)C(CC)SCC(C)CC 62a_100000748023_100000212269 [0,2,0,0,0,0|0,0,0]=2 4786 B13R0.748 CCOC(=O)C(CC)SCC(O)CC 62a_100000212269_100011218378 [0,2,0,0,0,0|0,0,0]=2 4787 B13R0.748 CCOC(=O)C(CC)SCC(O)CC 62a_100011218378_100000212269 [0,2,0,0,0,0|0,0,0]=2 4788 B13R0.748 CCOC(=O)C(CC)SCC(O)CO 62a_100000212269_100011219619 [0,2,0,0,0,0|1,0,0]=3 4789 B13R0.748 CCOC(=O)C(CC)SCC(O)CO 62a_100011219619_100000212269 [0,2,0,0,0,0|1,0,0]=3 4790 B13R0.748 CCOC(=O)C(CC)SC[C@@H](C)CC 62a_100000212269_100009816398 [0,2,0,0,0,0|0,0,0]=2 4791 B13R0.748 CCOC(=O)C(CC)SC[C@@H](C)CC 62a_100009816398_100000212269 [0,2,0,0,0,0|0,0,0]=2 4792 B13R0.748 CCOC(=O)C(CC)SC[C@@H](C)CO 62a_100000059175_100000212269 [0,2,0,0,0,0|1,0,0]=3 4793 B13R0.748 CCOC(=O)C(CC)SC[C@@H](C)CO 62a_100000212269_100000059175 [0,2,0,0,0,0|1,0,0]=3 4794 B13R0.748 CCOC(=O)C(CC)SC[C@@H](O)CF 62a_100000212269_100015614560 [0,2,0,0,0,0|1,0,0]=3 4795 B13R0.748 CCOC(=O)C(CC)SC[C@@H](O)CF 62a_100015614560_100000212269 [0,2,0,0,0,0|1,0,0]=3 4796 B13R0.748 CCOC(=O)C(CC)SC[C@@H](O)CO 62a_100000212269_100009815848 [0,2,0,0,0,0|1,0,0]=3 4797 B13R0.748 CCOC(=O)C(CC)SC[C@@H](O)CO 62a_100009815848_100000212269 [0,2,0,0,0,0|1,0,0]=3 4798 B13R0.748 CCOC(=O)C(NCC(C)CO)SC 34a_100000744482_100009893047 [0,2,0,0,0,0|2,0,0]=4 4799 B13R0.748 CCOC(=O)C(NC[C@@H](F)CO)SC 34a_100015665980_100009893047 [0,2,0,0,0,0|2,0,0]=4 4800 B13R0.748 CCOC(=O)C(OCC(=O)CC)SC 34a_100000725409_100009893047 [0,2,0,0,0,0|1,0,1]=4 4801 B13R0.748 CCOC(=O)C(OCC(C)CN)SC 34a_100000744482_100009893047 [0,2,0,0,0,0|2,0,0]=4 4802 B13R0.748 CCOC(=O)C(OCC(C)OC)SC 34a_100000690652_100009893047 [0,2,0,0,0,0|2,0,0]=4 4803 B13R0.748 CCOC(=O)C(OCC(Cl)CCl)SC 34a_100000033668_100009893047 [0,2,0,0,0,0|2,0,0]=4 4804 B13R0.748 CCOC(=O)C(OC[C@H](F)CN)SC 34a_100015665980_100009893047 [0,2,0,0,0,0|2,0,0]=4 4805 B13R0.748 CCOC(=O)C(SC)SCC(=O)CC 62a_100000747405_100009893047 [0,2,0,0,0,0|1,0,1]=4 4806 B13R0.748 CCOC(=O)C(SC)SCC(=O)CC 62a_100009893047_100000747405 [0,2,0,0,0,0|1,0,1]=4 4807 B13R0.748 CCOC(=O)C(SC)SCC(C)CC 62a_100000748023_100009893047 [0,2,0,0,0,0|1,0,0]=3 4808 B13R0.748 CCOC(=O)C(SC)SCC(C)CC 62a_100009893047_100000748023 [0,2,0,0,0,0|1,0,0]=3 4809 B13R0.748 CCOC(=O)C(SC)SCC(O)CC 62a_100009893047_100011218378 [0,2,0,0,0,0|1,0,0]=3 4810 B13R0.748 CCOC(=O)C(SC)SCC(O)CC 62a_100011218378_100009893047 [0,2,0,0,0,0|1,0,0]=3 4811 B13R0.748 CCOC(=O)C(SC)SCC(O)CO 62a_100009893047_100011219619 [0,2,0,0,0,0|2,0,0]=4 4812 B13R0.748 CCOC(=O)C(SC)SCC(O)CO 62a_100011219619_100009893047 [0,2,0,0,0,0|2,0,0]=4 4813 B13R0.748 CCOC(=O)C(SC)SC[C@@H](C)CC 62a_100009816398_100009893047 [0,2,0,0,0,0|1,0,0]=3 4814 B13R0.748 CCOC(=O)C(SC)SC[C@@H](C)CC 62a_100009893047_100009816398 [0,2,0,0,0,0|1,0,0]=3 4815 B13R0.748 CCOC(=O)C(SC)SC[C@@H](C)CO 62a_100000059175_100009893047 [0,2,0,0,0,0|2,0,0]=4 4816 B13R0.748 CCOC(=O)C(SC)SC[C@@H](C)CO 62a_100009893047_100000059175 [0,2,0,0,0,0|2,0,0]=4 4817 B13R0.748 CCOC(=O)C(SC)SC[C@@H](O)CF 62a_100009893047_100015614560 [0,2,0,0,0,0|2,0,0]=4 4818 B13R0.748 CCOC(=O)C(SC)SC[C@@H](O)CF 62a_100015614560_100009893047 [0,2,0,0,0,0|2,0,0]=4 4819 B13R0.748 CCOC(=O)C(SC)SC[C@@H](O)CO 62a_100009815848_100009893047 [0,2,0,0,0,0|2,0,0]=4 4820 B13R0.748 CCOC(=O)C(SC)SC[C@@H](O)CO 62a_100009893047_100009815848 [0,2,0,0,0,0|2,0,0]=4 4821 B13R0.749 CCOC(=O)C(CC)NCC(C)(C)C 2230a_100000743828_100000212269 [0,2,0,0,0,0|1,0,0]=3 4822 B13R0.749 CCOC(=O)C(CC)NCC(C)(C)F 2230a_100020643315_100000212269 [0,2,0,0,0,0|1,0,0]=3 4823 B13R0.749 CCOC(=O)C(CC)NCC(C)(C)O 2230a_100000751335_100000212269 [0,2,0,0,0,0|1,0,0]=3 4824 B13R0.749 CCOC(=O)C(CC)NCC(F)(F)F 34a_100000717047_100000212269 [0,2,0,0,0,0|2,0,0]=4 4825 B13R0.749 CCOC(=O)C(CC)OCC(C)(C)C 34a_100011216719_100011219605 [0,2,0,0,0,0|1,0,0]=3 4826 B13R0.749 CCOC(=O)C(CC)OCC(C)(C)F 34a_100000716592_100000212269 [0,2,0,0,0,0|1,0,0]=3 4827 B13R0.749 CCOC(=O)C(CC)OCC(C)(C)F 34a_100011216719_100011997219 [0,2,0,0,0,0|1,0,0]=3 4828 B13R0.749 CCOC(=O)C(CC)OCC(C)(C)O 34a_100011216719_100000764493 [0,2,0,0,0,0|1,0,0]=3 4829 B13R0.749 CCOC(=O)C(CC)OCC(C)(C)O 7a_100011216719_100000764493 [0,2,0,0,0,0|1,0,0]=3 4830 B13R0.749 CCOC(=O)C(CC)OCC(C)(F)F 34a_100000068830_100000212269 [0,2,0,0,0,0|1,0,0]=3 4831 B13R0.749 CCOC(=O)C(CC)OCC(F)(F)Br 34a_100011217949_100000212269 [0,2,0,0,0,0|2,0,0]=4 4832 B13R0.749 CCOC(=O)C(CC)OCC(F)(F)Cl 34a_100000734434_100000212269 [0,2,0,0,0,0|2,0,0]=4 4833 B13R0.749 CCOC(=O)C(CC)OCC(F)(F)F 34a_100000210435_100000212269 [0,2,0,0,0,0|2,0,0]=4 4834 B13R0.749 CCOC(=O)C(CC)OC[Si](C)(C)C 7a_100011216719_100000233785 [0,2,0,0,0,0|1,1,0]=4 4835 B13R0.749 CCOC(=O)C(CC)SCC(C)(C)C 62a_100000212269_100011219605 [0,2,0,0,0,0|1,0,0]=3 4836 B13R0.749 CCOC(=O)C(CC)SCC(C)(C)C 62a_100011219605_100000212269 [0,2,0,0,0,0|1,0,0]=3 4837 B13R0.749 CCOC(=O)C(CC)SCC(C)(C)F 62a_100000212269_100011997219 [0,2,0,0,0,0|1,0,0]=3 4838 B13R0.749 CCOC(=O)C(CC)SCC(C)(C)F 62a_100011997219_100000212269 [0,2,0,0,0,0|1,0,0]=3 4839 B13R0.749 CCOC(=O)C(CC)SCC(C)(C)O 62a_100000212269_100000764493 [0,2,0,0,0,0|1,0,0]=3 4840 B13R0.749 CCOC(=O)C(CC)SCC(C)(C)O 62a_100000764493_100000212269 [0,2,0,0,0,0|1,0,0]=3 4841 B13R0.749 CCOC(=O)C(CC)SCC(F)(F)F 62a_100000212269_100000763148 [0,2,0,0,0,0|2,0,0]=4 4842 B13R0.749 CCOC(=O)C(CC)SCC(F)(F)F 62a_100000763148_100000212269 [0,2,0,0,0,0|2,0,0]=4 4843 B13R0.749 CCOC(=O)C(CC)SC[N+](C)(C)C 62a_100000212269_200000036245 [0,2,0,0,0,0|2,0,0]=4 4844 B13R0.749 CCOC(=O)C(CC)SC[N+](C)(C)C 62a_200000036245_100000212269 [0,2,0,0,0,0|2,0,0]=4 4845 B13R0.749 CCOC(=O)C(CC)SC[Si](C)(C)C 62a_100000037933_100000212269 [0,2,0,0,0,0|1,1,0]=4 4846 B13R0.749 CCOC(=O)C(CC)SC[Si](C)(C)C 62a_100000212269_100000037933 [0,2,0,0,0,0|1,1,0]=4 4847 B13R0.749 CCOC(=O)C(OCC(C)(C)F)SC 34a_100000716592_100009893047 [0,2,0,0,0,0|2,0,0]=4 4848 B13R0.749 CCOC(=O)C(OCC(C)(F)F)SC 34a_100000068830_100009893047 [0,2,0,0,0,0|2,0,0]=4 4849 B13R0.749 CCOC(=O)C(SC)SCC(C)(C)C 62a_100009893047_100011219605 [0,2,0,0,0,0|2,0,0]=4 4850 B13R0.749 CCOC(=O)C(SC)SCC(C)(C)C 62a_100011219605_100009893047 [0,2,0,0,0,0|2,0,0]=4 4851 B13R0.749 CCOC(=O)C(SC)SCC(C)(C)F 62a_100009893047_100011997219 [0,2,0,0,0,0|2,0,0]=4 4852 B13R0.749 CCOC(=O)C(SC)SCC(C)(C)F 62a_100011997219_100009893047 [0,2,0,0,0,0|2,0,0]=4 4853 B13R0.749 CCOC(=O)C(SC)SCC(C)(C)O 62a_100000764493_100009893047 [0,2,0,0,0,0|2,0,0]=4 4854 B13R0.749 CCOC(=O)C(SC)SCC(C)(C)O 62a_100009893047_100000764493 [0,2,0,0,0,0|2,0,0]=4 4855 B13R0.1876 CCC(NCC(C)C)C(=O)NC(C)C 2230a_100000210953_200011763342 [0,2,0,0,0,0|2,0,0]=4 4856 B13R0.1876 CCC(NCC(C)C)C(=O)NC(C)C 34a_100000210953_200011763342 [0,2,0,0,0,0|2,0,0]=4 4857 B13R0.1876 CCC(NCC(C)O)C(=O)NC(C)C 2230a_100000210904_200011763342 [0,2,0,0,0,0|2,0,0]=4 4858 B13R0.1876 CCC(NCC(C)O)C(=O)NC(C)C 34a_100000210904_200011763342 [0,2,0,0,0,0|2,0,0]=4 4859 B13R0.1876 CCC(OCC(C)Br)C(=O)NC(C)C 34a_100012180447_200011763342 [0,2,0,0,0,0|2,0,0]=4 4860 B13R0.1876 CCC(OCC(C)C)C(=O)NC(C)C 34a_100000210257_200011763342 [0,2,0,0,0,0|2,0,0]=4 4861 B13R0.1876 CCC(OCC(C)F)C(=O)NC(C)C 34a_100015925927_200011763342 [0,2,0,0,0,0|2,0,0]=4 4862 B13R0.1876 CCC(OC[C@@H](C)Cl)C(=O)NC(C)C 34a_100016084084_200011763342 [0,2,0,0,0,0|2,0,0]=4 4863 B13R0.1876 CCC(OC[C@@H](C)N)C(=O)NC(C)C 34a_100000737577_200011763342 [0,2,0,0,0,0|2,0,0]=4 4864 B13R0.1876 CCC(SCC(C)C)C(=O)NC(C)C 62a_100000210624_200011763342 [0,2,0,0,0,0|2,0,0]=4 4865 B13R0.1876 CCC(SCC(C)C)C(=O)NC(C)C 62a_200011763342_100000210760 [0,2,0,0,0,0|2,0,0]=4 4866 B13R0.1876 CCC(SCC(C)O)C(=O)NC(C)C 62a_100011218427_200011763342 [0,2,0,0,0,0|2,0,0]=4 4867 B13R0.1876 CCC(SCC(C)O)C(=O)NC(C)C 62a_200011763342_100011218427 [0,2,0,0,0,0|2,0,0]=4 4868 B13R0.1876 CCC(SC[C@@H](C)O)C(=O)NC(C)C 62a_100009817552_200011763342 [0,2,0,0,0,0|2,0,0]=4 4869 B13R0.1876 CCC(SC[C@@H](C)O)C(=O)NC(C)C 62a_200011763342_100009817552 [0,2,0,0,0,0|2,0,0]=4 4870 B13R0.1876 CCN(CCC(C)C)C(=O)CC(C)C 11a_100000207693_100000210554 [0,2,0,0,0,0|2,0,0]=4 4871 B13R0.1876 CCN(CCC(C)C)C(=O)CC(C)C 1626a_100000207693_100000210554 [0,2,0,0,0,0|2,0,0]=4 4872 B13R0.1876 CCN(CCC(C)C)C(=O)CC(C)C 240690a_100000207693_100000210554 [0,2,0,0,0,0|2,0,0]=4 4873 B13R0.1876 CCN(CCC(C)C)C(=O)CC(C)C 527a_100000207693_100000210554 [0,2,0,0,0,0|2,0,0]=4 4874 B13R0.1876 CCN(CCC(C)C)C(=O)C[C@@H](C)O 240690a_100000207693_100011933948 [0,2,0,0,0,0|2,0,0]=4 4875 B13R0.1876 CCN(CCC(C)C)C(=O)NC(C)C 2708a_100138425928_100000207693 [0,2,0,0,0,0|2,0,0]=4 4876 B13R0.1876 CCN(CCC(C)C)C(=O)NC(C)C 273464a_100138425928_100000207693 [0,2,0,0,0,0|2,0,0]=4 4877 B13R0.132 CCC(O)CN(CC)C(=O)CCOC 11a_100011365200_100000749529 [0,2,0,0,0,0|2,0,0]=4 4878 B13R0.132 CCC(O)CN(CC)C(=O)CCOC 1626a_100011365200_100000749529 [0,2,0,0,0,0|2,0,0]=4 4879 B13R0.132 CCC(O)CN(CC)C(=O)CCOC 240690a_100011365200_100000749529 [0,2,0,0,0,0|2,0,0]=4 4880 B13R0.132 CCC(O)CN(CC)C(=O)CCOC 527a_100011365200_100000749529 [0,2,0,0,0,0|2,0,0]=4 4881 B13R0.132 CCC(O)CN(CC)C(=O)CCSC 11a_100011365200_100000174002 [0,2,0,0,0,0|2,0,0]=4 4882 B13R0.132 CCC(O)CN(CC)C(=O)CCSC 1626a_100011365200_100000174002 [0,2,0,0,0,0|2,0,0]=4 4883 B13R0.132 CCC(O)CN(CC)C(=O)CCSC 240690a_100011365200_100000174002 [0,2,0,0,0,0|2,0,0]=4 4884 B13R0.132 CCC(O)CN(CC)C(=O)CCSC 527a_100011365200_100000174002 [0,2,0,0,0,0|2,0,0]=4 4885 B13R0.132 CCC(O)CN(CC)C(=O)NCCF 273464a_100000724931_100011365200 [0,2,0,0,0,0|2,0,0]=4 4886 B13R0.132 CCC(O)CN(CC)C(=O)NCCO 273464a_100000210304_100011365200 [0,2,0,0,0,0|2,0,0]=4 4887 B13R0.132 CCC=CC(=O)N(CC)CC(O)CC 11a_100011365200_100000212282 [0,2,0,0,0,0|2,0,0]=4 4888 B13R0.132 CCC=CC(=O)N(CC)CC(O)CC 1626a_100011365200_100000212282 [0,2,0,0,0,0|2,0,0]=4 4889 B13R0.132 CCC=CC(=O)N(CC)CC(O)CC 240690a_100011365200_100000212282 [0,2,0,0,0,0|2,0,0]=4 4890 B13R0.132 CCCCC(=O)N(CC)CC(O)CC 11a_100011365200_100000210183 [0,2,0,0,0,0|2,0,0]=4 4891 B13R0.132 CCCCC(=O)N(CC)CC(O)CC 1626a_100011365200_100000210183 [0,2,0,0,0,0|2,0,0]=4 4892 B13R0.132 CCCCC(=O)N(CC)CC(O)CC 240690a_100011365200_100000210183 [0,2,0,0,0,0|2,0,0]=4 4893 B13R0.132 CCCCC(=O)N(CC)CC(O)CC 527a_100011365200_100000210183 [0,2,0,0,0,0|2,0,0]=4 4894 B13R0.132 CCCNC(=O)C(CC)NC(C)CC 2230a_100000209981_200011763335 [0,2,0,0,0,0|2,0,0]=4 4895 B13R0.132 CCCNC(=O)C(CC)OC(C)CC 7a_100000210228_200011763335 [0,2,0,0,0,0|2,0,0]=4 4896 B13R0.132 CCCNC(=O)C(CC)SC(C)CC 62a_100000758301_200011763335 [0,2,0,0,0,0|2,0,0]=4 4897 B13R0.132 CCCNC(=O)C(CC)SC(C)CC 62a_200011763335_100000758301 [0,2,0,0,0,0|2,0,0]=4 4898 B13R0.132 CCCNC(=O)N(CC)CC(O)CC 2708a_100020643023_100011365200 [0,2,0,0,0,0|2,0,0]=4 4899 B13R0.132 CCCNC(=O)N(CC)CC(O)CC 273464a_100020643023_100011365200 [0,2,0,0,0,0|2,0,0]=4 4900 B13R0.132 CCOCC(=O)N(CC)CC(O)CC 11a_100011365200_100000211967 [0,2,0,0,0,0|1,0,0]=3 4901 B13R0.132 CCOCC(=O)N(CC)CC(O)CC 1626a_100011365200_100000211967 [0,2,0,0,0,0|1,0,0]=3 4902 B13R0.132 CCOCC(=O)N(CC)CC(O)CC 240690a_100011365200_100000211967 [0,2,0,0,0,0|1,0,0]=3 4903 B13R0.132 CCOCC(=O)N(CC)CC(O)CC 527a_100011365200_100000211967 [0,2,0,0,0,0|1,0,0]=3 4904 B13R0.132 CCSCC(=O)N(CC)CC(O)CC 11a_100011365200_100000230394 [0,2,0,0,0,0|1,1,0]=4 4905 B13R0.132 CCSCC(=O)N(CC)CC(O)CC 1626a_100011365200_100000230394 [0,2,0,0,0,0|1,1,0]=4 4906 B13R0.132 CCSCC(=O)N(CC)CC(O)CC 240690a_100011365200_100000230394 [0,2,0,0,0,0|1,1,0]=4 4907 B13R0.132 CCSCC(=O)N(CC)CC(O)CC 527a_100011365200_100000230394 [0,2,0,0,0,0|1,1,0]=4 4908 B13R0.730 CCOC(=O)C(OC(C)CC)C(C)C 7a_100000210228_100000740032 [0,2,0,0,0,0|1,0,0]=3 4909 B13R0.730 CCOC(=O)C(OC(C)CF)C(C)C 34a_100016041109_100000740032 [0,2,0,0,0,0|2,0,0]=4 4910 B13R0.730 CCOC(=O)C(OC(C)CF)C(C)C 7a_100016041109_100000740032 [0,2,0,0,0,0|2,0,0]=4 4911 B13R0.730 CCOC(=O)C(OC(C)CN)C(C)C 34a_100000210904_100000740032 [0,2,0,0,0,0|2,0,0]=4 4912 B13R0.730 CCOC(=O)C(SC(C)CC)C(=O)C 62a_100000211040_100000758301 [0,2,0,0,0,0|1,0,1]=4 4913 B13R0.730 CCOC(=O)C(SC(C)CC)C(=O)C 62a_100000758301_100000211040 [0,2,0,0,0,0|1,0,1]=4 4914 B13R0.730 CCOC(=O)C(SC(C)CC)C(C)C 62a_100000740032_100000758301 [0,2,0,0,0,0|1,0,0]=3 4915 B13R0.730 CCOC(=O)C(SC(C)CC)C(C)C 62a_100000758301_100000740032 [0,2,0,0,0,0|1,0,0]=3 4916 B13R0.730 CCOC(=O)C(SC(C)CO)C(C)C 62a_100012180447_100000740032 [0,2,0,0,0,0|2,0,0]=4 4917 B13R0.730 CCOC(=O)C(SC(C)OC)C(C)C 62a_100000740032_100009879195 [0,2,0,0,0,0|2,0,0]=4 4918 B13R0.730 CCOC(=O)C(SC(C)OC)C(C)C 62a_100009879195_100000740032 [0,2,0,0,0,0|2,0,0]=4 4919 B13R0.730 CCOC(=O)C(S[C@H](C)CO)C(C)C 62a_100000740032_100016084084 [0,2,0,0,0,0|2,0,0]=4 4920 B13R0.730 CCOC(=O)C(S[C@H](C)CO)C(C)C 62a_100016084084_100000740032 [0,2,0,0,0,0|2,0,0]=4 4921 B13R0.730 CCOC(=O)[C@H](NC(=O)CC)C(C)C 188690a_100016998256_100000210414 [0,2,0,0,0,0|1,0,1]=4 4922 B13R0.730 CCOC(=O)[C@H](NC(=O)CC)[C@@H](C)O 188690a_100016989591_100000210414 [0,2,0,0,0,0|1,0,1]=4 4923 B13R0.751 C#CC(CC)OC(CC)C(=O)OCC 34a_100000758843_100000212269 [0,2,0,0,0,0|1,0,0]=3 4924 B13R0.751 C#CC(CC)OC(CC)C(=O)OCC 7a_100000758843_100000212269 [0,2,0,0,0,0|1,0,0]=3 4925 B13R0.751 C#CC(CC)OC(SC)C(=O)OCC 34a_100000758843_100009893047 [0,2,0,0,0,0|2,0,0]=4 4926 B13R0.751 C=CC(CC)OC(CC)C(=O)OCC 34a_100000766422_100000212269 [0,2,0,0,0,0|1,0,0]=3 4927 B13R0.751 C=CC(CC)OC(CC)C(=O)OCC 7a_100000766422_100000212269 [0,2,0,0,0,0|1,0,0]=3 4928 B13R0.751 C=CC(CC)OC(SC)C(=O)OCC 34a_100000766422_100009893047 [0,2,0,0,0,0|2,0,0]=4 4929 B13R0.751 C=C[C@@H](CO)NC(CC)C(=O)OCC 2230a_100016989147_100000212269 [0,2,0,0,0,0|2,0,0]=4 4930 B13R0.751 C=C[C@@H](CO)NC(CC)C(=O)OCC 34a_100016989147_100000212269 [0,2,0,0,0,0|2,0,0]=4 4931 B13R0.751 CCOC(=O)C(CC)NC(CC)CC 2230a_100000199018_100000212269 [0,2,0,0,0,0|1,0,0]=3 4932 B13R0.751 CCOC(=O)C(CC)NC(CO)CO 2230a_100000759517_100000212269 [0,2,0,0,0,0|2,0,0]=4 4933 B13R0.751 CCOC(=O)C(CC)N[C@@H](CC)CO 2230a_100000709445_100000212269 [0,2,0,0,0,0|1,0,0]=3 4934 B13R0.751 CCOC(=O)C(CC)OC(CC)CC 7a_100000688536_100000212269 [0,2,0,0,0,0|1,0,0]=3 4935 B13R0.751 CCOC(=O)C(CC)OC(CC)CC 7a_100011216719_100000210505 [0,2,0,0,0,0|1,0,0]=3 4936 B13R0.751 CCOC(=O)C(CC)OC(CCl)CCl 7a_100000737055_100000212269 [0,2,0,0,0,0|2,0,0]=4 4937 B13R0.751 CCOC(=O)C(CC)OC(CF)CF 34a_100000032261_100000212269 [0,2,0,0,0,0|2,0,0]=4 4938 B13R0.751 CCOC(=O)C(CC)OC(CF)CF 7a_100000032261_100000212269 [0,2,0,0,0,0|2,0,0]=4 4939 B13R0.751 CCOC(=O)C(CC)OC(CN)CN 34a_100000031598_100000212269 [0,2,0,0,0,0|2,0,0]=4 4940 B13R0.751 CCOC(=O)C(CC)O[C@@H](CF)CCl 34a_100015614560_100000212269 [0,2,0,0,0,0|2,0,0]=4 4941 B13R0.751 CCOC(=O)C(CC)O[C@@H](CF)CCl 7a_100015614560_100000212269 [0,2,0,0,0,0|2,0,0]=4 4942 B13R0.751 CCOC(=O)C(CC)SC(CC)CC 62a_100000210505_100000212269 [0,2,0,0,0,0|1,0,0]=3 4943 B13R0.751 CCOC(=O)C(CC)SC(CC)CC 62a_100000212269_100000210505 [0,2,0,0,0,0|1,0,0]=3 4944 B13R0.751 CCOC(=O)C(SC)SC(CC)CC 62a_100000210505_100009893047 [0,2,0,0,0,0|2,0,0]=4 4945 B13R0.751 CCOC(=O)C(SC)SC(CC)CC 62a_100009893047_100000210505 [0,2,0,0,0,0|2,0,0]=4 4946 B13R0.840 CCC(O)CN(CC)C(=O)C(C)CC 11a_100011365200_100011192722 [0,2,0,0,0,0|2,0,0]=4 4947 B13R0.840 CCC(O)CN(CC)C(=O)C(C)CC 1626a_100011365200_100011192722 [0,2,0,0,0,0|2,0,0]=4 4948 B13R0.840 CCC(O)CN(CC)C(=O)C(C)CC 240690a_100011365200_100011192722 [0,2,0,0,0,0|2,0,0]=4 4949 B13R0.840 CCC(O)CN(CC)C(=O)C(C)CC 527a_100011365200_100011192722 [0,2,0,0,0,0|2,0,0]=4 4950 B13R0.840 CCC(O)CN(CC)C(=O)C(O)CC 240690a_100011365200_100011196387 [0,2,0,0,0,0|2,0,0]=4 4951 B13R0.845 CCC(C)NC(CC)C(=O)NC(C)C 2230a_100000209981_200011763342 [0,2,0,0,0,0|2,0,0]=4 4952 B13R0.845 CCC(C)OC(CC)C(=O)NC(C)C 7a_100000210228_200011763342 [0,2,0,0,0,0|2,0,0]=4 4953 B13R0.845 CCC(C)SC(CC)C(=O)NC(C)C 62a_100000758301_200011763342 [0,2,0,0,0,0|2,0,0]=4 4954 B13R0.845 CCC(C)SC(CC)C(=O)NC(C)C 62a_200011763342_100000758301 [0,2,0,0,0,0|2,0,0]=4 4955 B13R0.845 CCC(O)CN(CC)C(=O)CC(C)C 11a_100011365200_100000210554 [0,2,0,0,0,0|2,0,0]=4 4956 B13R0.845 CCC(O)CN(CC)C(=O)CC(C)C 1626a_100011365200_100000210554 [0,2,0,0,0,0|2,0,0]=4 4957 B13R0.845 CCC(O)CN(CC)C(=O)CC(C)C 240690a_100011365200_100000210554 [0,2,0,0,0,0|2,0,0]=4 4958 B13R0.845 CCC(O)CN(CC)C(=O)CC(C)C 527a_100011365200_100000210554 [0,2,0,0,0,0|2,0,0]=4 4959 B13R0.845 CCC(O)CN(CC)C(=O)C[C@@H](C)O 240690a_100011365200_100011933948 [0,2,0,0,0,0|2,0,0]=4 4960 B13R0.845 CCC(O)CN(CC)C(=O)NC(C)C 2708a_100138425928_100011365200 [0,2,0,0,0,0|2,0,0]=4 4961 B13R0.845 CCC(O)CN(CC)C(=O)NC(C)C 273464a_100138425928_100011365200 [0,2,0,0,0,0|2,0,0]=4 4962 B13R0.1126 CCOC(=O)C(CC)NC(C)(C)CC 2230a_100000211385_100000212269 [0,2,0,0,0,0|1,0,0]=3 4963 B13R0.1126 CCOC(=O)C(CC)NC(C)(C)CO 2230a_100000210608_100000212269 [0,2,0,0,0,0|2,0,0]=4 4964 B13R0.1126 CCOC(=O)C(CC)OC(C)(C)CC 7a_100000210230_100000212269 [0,2,0,0,0,0|1,0,0]=3 4965 B13R0.1126 CCOC(=O)C(CC)OC(C)(C)CC 7a_100011216719_100000210677 [0,2,0,0,0,0|1,0,0]=3 4966 B13R0.1126 CCOC(=O)C(CC)OC(C)(C)CCl 7a_100000764493_100000212269 [0,2,0,0,0,0|2,0,0]=4 4967 B13R0.1126 CCOC(=O)C(CC)SC(C)(C)CC 62a_100000032637_100000212269 [0,2,0,0,0,0|1,0,0]=3 4968 B13R0.1126 CCOC(=O)C(CC)SC(C)(C)CC 62a_100000212269_100000032637 [0,2,0,0,0,0|1,0,0]=3 4969 B13R0.1126 CCOC(=O)C(CC)SC(F)(F)CO 62a_100000212269_100011217949 [0,2,0,0,0,0|2,0,0]=4 4970 B13R0.1126 CCOC(=O)C(CC)SC(F)(F)CO 62a_100011217949_100000212269 [0,2,0,0,0,0|2,0,0]=4 4971 B13R0.1126 CCOC(=O)C(SC)SC(C)(C)CC 62a_100000032637_100009893047 [0,2,0,0,0,0|2,0,0]=4 4972 B13R0.1126 CCOC(=O)C(SC)SC(C)(C)CC 62a_100009893047_100000032637 [0,2,0,0,0,0|2,0,0]=4 4973 B13R0.299 C#CC(OC(C)C)C(CC)CCCC 34a_200011216404_100000210206 [0,2,0,0,0,0|1,0,1]=4 4974 B13R0.299 C#CC(OC(C)C)C(CC)CCCC 7a_200011216404_100000210206 [0,2,0,0,0,0|1,0,1]=4 4975 B13R0.302 CCCCC(CC)C(=O)C(=O)N(C)C 1458a_100011218876_200011216223 [0,2,0,0,0,0|2,0,0]=4 4976 B13R0.302 CCCCC(CC)C(=O)C(C)C(=O)C 1458a_100000211130_100000179758 [0,2,0,0,0,0|1,0,1]=4 4977 B13R0.302 CCCCC(CC)C(=O)C(C)C(C)C 1458a_100000755409_200011216223 [0,2,0,0,0,0|1,0,0]=3 4978 B13R0.302 CCCCC(CC)C(=O)N(C)C(C)C 11a_200000211004_100000211130 [0,2,0,0,0,0|1,0,0]=3 4979 B13R0.302 CCCCC(CC)C(=O)N(C)C(C)C 1626a_200000211004_100000211130 [0,2,0,0,0,0|1,0,0]=3 4980 B13R0.302 CCCCC(CC)C(=O)N(C)C(C)C 240690a_200000211004_100000211130 [0,2,0,0,0,0|1,0,0]=3 4981 B13R0.302 CCCCC(CC)C(=O)N(C)C(C)C 527a_200000211004_100000211130 [0,2,0,0,0,0|1,0,0]=3 4982 B13R0.302 CCCCC(CC)C(=O)[C@H](C)N(C)C 1458a_100009822176_200011216223 [0,2,0,0,0,0|2,0,0]=4 4983 B13R0.302 CCCCC(CC)C(=O)[C@H](O)C(C)C 1458a_100000691806_200011216223 [0,2,0,0,0,0|1,0,0]=3 4984 B13R0.302 CCCCN(CC)C(=O)C(C)C(C)C 11a_100000207695_100000755409 [0,2,0,0,0,0|2,0,0]=4 4985 B13R0.302 CCCCN(CC)C(=O)C(C)C(C)C 1626a_100000207695_100000755409 [0,2,0,0,0,0|2,0,0]=4 4986 B13R0.302 CCCCN(CC)C(=O)C(C)C(C)C 240690a_100000207695_100000755409 [0,2,0,0,0,0|2,0,0]=4 4987 B13R0.302 CCCCN(CC)C(=O)C(C)C(C)C 527a_100000207695_100000755409 [0,2,0,0,0,0|2,0,0]=4 4988 B13R0.302 CCCCN(CC)C(=O)[C@H](O)C(C)C 240690a_100000207695_100000691806 [0,2,0,0,0,0|2,0,0]=4 4989 B13R0.376 C#CC(C)NC(=O)C(CC)CCCC 11a_100000707721_100000211130 [0,2,0,0,0,0|1,0,0]=3 4990 B13R0.376 C#CC(C)NC(=O)C(CC)CCCC 1626a_100000707721_100000211130 [0,2,0,0,0,0|1,0,0]=3 4991 B13R0.376 C#CC(C)NC(=O)C(CC)CCCC 240690a_100000707721_100000211130 [0,2,0,0,0,0|1,0,0]=3 4992 B13R0.376 C#CC(C)NC(=O)C(CC)CCCC 527a_100000707721_100000211130 [0,2,0,0,0,0|1,0,0]=3 4993 B13R0.376 C#CC(C)NC(=O)N(CC)CCCC 2708a_100000707721_100000207695 [0,2,0,0,0,0|2,0,0]=4 4994 B13R0.376 C#CC(C)NC(=O)N(CC)CCCC 273464a_100000707721_100000207695 [0,2,0,0,0,0|2,0,0]=4 4995 B13R0.376 C#CC(C)OC(C)C(CC)CCCC 34a_200011290779_200000035995 [0,2,0,0,0,0|1,0,1]=4 4996 B13R0.376 C=CC(C)CC(=O)C(CC)CCCC 1458a_100011934298_200011216223 [0,2,0,0,0,0|1,0,0]=3 4997 B13R0.376 C=CC(C)CC(=O)N(CC)CCCC 11a_100000207695_100011934298 [0,2,0,0,0,0|2,0,0]=4 4998 B13R0.376 C=CC(C)CC(=O)N(CC)CCCC 1626a_100000207695_100011934298 [0,2,0,0,0,0|2,0,0]=4 4999 B13R0.376 C=CC(C)CC(=O)N(CC)CCCC 240690a_100000207695_100011934298 [0,2,0,0,0,0|2,0,0]=4 5000 B13R0.376 C=CC(C)CC(=O)N(CC)CCCC 527a_100000207695_100011934298 [0,2,0,0,0,0|2,0,0]=4 5001 B13R0.376 CCCCC(CC)C(=O)C=C(C)CC 1458a_100020758463_200011216223 [0,2,0,0,0,0|1,0,0]=3 5002 B13R0.376 CCCCC(CC)C(=O)CC(=O)CC 1458a_100000211130_100000747405 [0,2,0,0,0,0|1,0,0]=3 5003 B13R0.376 CCCCC(CC)C(=O)CC(=O)NC 1458a_100000211130_100000183359 [0,2,0,0,0,0|1,0,1]=4 5004 B13R0.376 CCCCC(CC)C(=O)CC(=O)OC 1458a_100000211130_100000747449 [0,2,0,0,0,0|1,0,1]=4 5005 B13R0.376 CCCCC(CC)C(=O)CC(=O)OC 1458a_100000211351_200011216223 [0,2,0,0,0,0|1,0,1]=4 5006 B13R0.376 CCCCC(CC)C(=O)CC(C)CC 1458a_100000211130_100000748023 [0,2,0,0,0,0|1,0,0]=3 5007 B13R0.376 CCCCC(CC)C(=O)CC(C)CC 1458a_100000708755_200011216223 [0,2,0,0,0,0|1,0,0]=3 5008 B13R0.376 CCCCC(CC)C(=O)CC(O)CC 1458a_100000211130_100011218378 [0,2,0,0,0,0|1,0,0]=3 5009 B13R0.376 CCCCC(CC)C(=O)CC(O)CC 1458a_100011667805_200011216223 [0,2,0,0,0,0|1,0,0]=3 5010 B13R0.376 CCCCC(CC)C(=O)CN(C)CC 1458a_100116209913_200011216223 [0,2,0,0,0,0|1,0,0]=3 5011 B13R0.376 CCCCC(CC)C(=O)C[C@@H](C)CC 1458a_100000211130_100009816398 [0,2,0,0,0,0|1,0,0]=3 5012 B13R0.376 CCCCC(CC)C(=O)C[C@@H](C)CO 1458a_100000211130_100000059175 [0,2,0,0,0,0|1,0,0]=3 5013 B13R0.376 CCCCC(CC)C(=O)NC(C)C#N 11a_100000737613_100000211130 [0,2,0,0,0,0|1,0,0]=3 5014 B13R0.376 CCCCC(CC)C(=O)NC(C)C#N 1626a_100000737613_100000211130 [0,2,0,0,0,0|1,0,0]=3 5015 B13R0.376 CCCCC(CC)C(=O)NC(C)C#N 527a_100000737613_100000211130 [0,2,0,0,0,0|1,0,0]=3 5016 B13R0.376 CCCCC(CC)C(=O)NC(C)CC 11a_100000209981_100000211130 [0,2,0,0,0,0|1,0,0]=3 5017 B13R0.376 CCCCC(CC)C(=O)NC(C)CC 1626a_100000209981_100000211130 [0,2,0,0,0,0|1,0,0]=3 5018 B13R0.376 CCCCC(CC)C(=O)NC(C)CC 240690a_100000209981_100000211130 [0,2,0,0,0,0|1,0,0]=3 5019 B13R0.376 CCCCC(CC)C(=O)NC(C)CC 527a_100000209981_100000211130 [0,2,0,0,0,0|1,0,0]=3 5020 B13R0.376 CCCCC(CC)C(=O)N[C@H](C)CF 11a_100102880703_100000211130 [0,2,0,0,0,0|1,0,0]=3 5021 B13R0.376 CCCCC(CC)C(=O)N[C@H](C)CF 1626a_100102880703_100000211130 [0,2,0,0,0,0|1,0,0]=3 5022 B13R0.376 CCCCC(CC)C(=O)N[C@H](C)CF 240690a_100102880703_100000211130 [0,2,0,0,0,0|1,0,0]=3 5023 B13R0.376 CCCCC(CC)C(=O)N[C@H](C)CF 527a_100102880703_100000211130 [0,2,0,0,0,0|1,0,0]=3 5024 B13R0.376 CCCCC(CC)C(=O)N[C@H](C)CO 240690a_100000737577_100000211130 [0,2,0,0,0,0|1,0,0]=3 5025 B13R0.376 CCCCC(CC)C(=O)N[C@H](C)CO 527a_100000737577_100000211130 [0,2,0,0,0,0|1,0,0]=3 5026 B13R0.376 CCCCC(CC)C(C)OC(C)C#N 7a_200011290779_100000703298 [0,2,0,0,0,0|1,0,1]=4 5027 B13R0.376 CCCCC(CC)C(C)OC(C)CC 34a_200011290779_100011215416 [0,2,0,0,0,0|1,0,1]=4 5028 B13R0.376 CCCCC(CC)C(C)OC(C)CC 7a_200011290779_100000758301 [0,2,0,0,0,0|1,0,1]=4 5029 B13R0.376 CCCCC(CC)C(C)OC(C)CO 34a_200011290779_100012180447 [0,2,0,0,0,0|1,0,1]=4 5030 B13R0.376 CCCCC(CC)C(C)OC(C)CO 7a_200011290779_100012180447 [0,2,0,0,0,0|1,0,1]=4 5031 B13R0.376 CCCCN(CC)C(=O)C=C(C)CC 11a_100000207695_100020758463 [0,2,0,0,0,0|2,0,0]=4 5032 B13R0.376 CCCCN(CC)C(=O)C=C(C)CC 1626a_100000207695_100020758463 [0,2,0,0,0,0|2,0,0]=4 5033 B13R0.376 CCCCN(CC)C(=O)C=C(C)CC 240690a_100000207695_100020758463 [0,2,0,0,0,0|2,0,0]=4 5034 B13R0.376 CCCCN(CC)C(=O)CC(=O)CC 1458a_100000210414_100000230192 [0,2,0,0,0,0|2,0,0]=4 5035 B13R0.376 CCCCN(CC)C(=O)CC(C)CC 11a_100000207695_100000708755 [0,2,0,0,0,0|2,0,0]=4 5036 B13R0.376 CCCCN(CC)C(=O)CC(C)CC 1626a_100000207695_100000708755 [0,2,0,0,0,0|2,0,0]=4 5037 B13R0.376 CCCCN(CC)C(=O)CC(C)CC 240690a_100000207695_100000708755 [0,2,0,0,0,0|2,0,0]=4 5038 B13R0.376 CCCCN(CC)C(=O)CC(C)CC 527a_100000207695_100000708755 [0,2,0,0,0,0|2,0,0]=4 5039 B13R0.376 CCCCN(CC)C(=O)CC(O)CC 1626a_100000207695_100011667805 [0,2,0,0,0,0|2,0,0]=4 5040 B13R0.376 CCCCN(CC)C(=O)CC(O)CC 240690a_100000207695_100011667805 [0,2,0,0,0,0|2,0,0]=4 5041 B13R0.376 CCCCN(CC)C(=O)CN(C)CC 2230a_100000225621_100000230192 [0,2,0,0,0,0|2,0,0]=4 5042 B13R0.376 CCCCN(CC)C(=O)CN(C)CC 240690a_100000207695_100116209913 [0,2,0,0,0,0|2,0,0]=4 5043 B13R0.376 CCCCN(CC)C(=O)CN(C)CC 269982a_100000225621_100000230192 [0,2,0,0,0,0|2,0,0]=4 5044 B13R0.376 CCCCN(CC)C(=O)CN(C)CC 527a_100000207695_100116209913 [0,2,0,0,0,0|2,0,0]=4 5045 B13R0.376 CCCCN(CC)C(=O)NC(C)C#N 2708a_100000737613_100000207695 [0,2,0,0,0,0|2,0,0]=4 5046 B13R0.376 CCCCN(CC)C(=O)NC(C)C#N 273464a_100000737613_100000207695 [0,2,0,0,0,0|2,0,0]=4 5047 B13R0.376 CCCCN(CC)C(=O)NC(C)CC 2708a_100000209981_100000207695 [0,2,0,0,0,0|2,0,0]=4 5048 B13R0.376 CCCCN(CC)C(=O)NC(C)CC 273464a_100000209981_100000207695 [0,2,0,0,0,0|2,0,0]=4 5049 B13R0.376 CCCCN(CC)C(=O)N[C@H](C)CF 273464a_100102880703_100000207695 [0,2,0,0,0,0|2,0,0]=4 5050 B13R0.376 CCCCN(CC)C(=O)N[C@H](C)CO 273464a_100000737577_100000207695 [0,2,0,0,0,0|2,0,0]=4 5051 B13R0.379 CCC(NCCF)C(=O)OC(C)(C)C 34a_100000724931_100000718401 [0,2,0,0,0,0|2,0,0]=4 5052 B13R0.379 CCC(NCCO)C(=O)OC(C)(C)C 2230a_100016997473_100000718401 [0,2,0,0,0,0|2,0,0]=4 5053 B13R0.379 CCC(NCCO)C(=O)OC(C)(C)C 34a_100016990907_100000718401 [0,2,0,0,0,0|2,0,0]=4 5054 B13R0.379 CCC(OCCBr)C(=O)OC(C)(C)C 34a_100000211926_100000718401 [0,2,0,0,0,0|2,0,0]=4 5055 B13R0.379 CCC(OCCN)C(=O)OC(C)(C)C 34a_100000210304_100000718401 [0,2,0,0,0,0|2,0,0]=4 5056 B13R0.379 CCC(SCCF)C(=O)OC(C)(C)C 62a_100000718401_100011217306 [0,2,0,0,0,0|2,0,0]=4 5057 B13R0.379 CCC(SCCF)C(=O)OC(C)(C)C 62a_100011217306_100000718401 [0,2,0,0,0,0|2,0,0]=4 5058 B13R0.379 CCC(SCCO)C(=O)OC(C)(C)C 62a_100000211926_100000718401 [0,2,0,0,0,0|2,0,0]=4 5059 B13R0.379 CCC(SCCO)C(=O)OC(C)(C)C 62a_100000718401_100000211926 [0,2,0,0,0,0|2,0,0]=4 5060 B13R0.379 CCC(SCOC)C(=O)OC(C)(C)C 62a_100000718401_100000766300 [0,2,0,0,0,0|2,0,0]=4 5061 B13R0.379 CCC(SCOC)C(=O)OC(C)(C)C 62a_100000766300_100000718401 [0,2,0,0,0,0|2,0,0]=4 5062 B13R0.379 CCC(SCSC)C(=O)OC(C)(C)C 62a_100000718401_100011218213 [0,2,0,0,0,0|2,0,0]=4 5063 B13R0.379 CCC(SCSC)C(=O)OC(C)(C)C 62a_100011218213_100000718401 [0,2,0,0,0,0|2,0,0]=4 5064 B13R0.379 CCCCC(CC)C(=O)CC(C)(C)C 1458a_100000211214_200011216223 [0,2,0,0,0,0|1,0,0]=3 5065 B13R0.379 CCCCC(CC)C(=O)CC(C)(C)O 1458a_100000693243_200011216223 [0,2,0,0,0,0|1,0,0]=3 5066 B13R0.379 CCCCC(CC)C(=O)CC(F)(F)F 1458a_100000245130_200011216223 [0,2,0,0,0,0|2,0,0]=4 5067 B13R0.379 CCCCC(CC)C(=O)CS(=O)(=O)C 1458a_100000744497_200011216223 [0,2,0,0,0,0|2,0,0]=4 5068 B13R0.379 CCCCC(CC)C(=O)C[N+](C)(C)C 1458a_100000033712_200011216223 [0,2,0,0,0,0|2,0,0]=4 5069 B13R0.379 CCCCC(CC)C(=O)C[Si](C)(C)C 1458a_100000211130_100000233785 [0,2,0,0,0,0|1,1,0]=4 5070 B13R0.379 CCCCC(CC)C(=O)C[Si](C)(C)C 1458a_100011218504_200011216223 [0,2,0,0,0,0|1,1,0]=4 5071 B13R0.379 CCCCC(CC)C(=O)NC(C)(C)C 11a_100000715429_100000211130 [0,2,0,0,0,0|1,0,0]=3 5072 B13R0.379 CCCCC(CC)C(=O)NC(C)(C)C 1626a_100000715429_100000211130 [0,2,0,0,0,0|1,0,0]=3 5073 B13R0.379 CCCCC(CC)C(=O)NC(C)(C)C 240690a_100000715429_100000211130 [0,2,0,0,0,0|1,0,0]=3 5074 B13R0.379 CCCCC(CC)C(=O)NC(C)(C)C 527a_100000715429_100000211130 [0,2,0,0,0,0|1,0,0]=3 5075 B13R0.379 CCCCC(CC)C(=O)NS(=O)(=O)C 2740a_100000171171_100000211130 [0,2,0,0,0,0|2,0,0]=4 5076 B13R0.379 CCCCC(CC)C(C)OC(C)(C)C 34a_200011290779_100000210625 [0,2,0,0,0,0|1,0,1]=4 5077 B13R0.379 CCCCN(CC)C(=O)CC(C)(C)C 11a_100000207695_100000211214 [0,2,0,0,0,0|2,0,0]=4 5078 B13R0.379 CCCCN(CC)C(=O)CC(C)(C)C 1626a_100000207695_100000211214 [0,2,0,0,0,0|2,0,0]=4 5079 B13R0.379 CCCCN(CC)C(=O)CC(C)(C)C 240690a_100000207695_100000211214 [0,2,0,0,0,0|2,0,0]=4 5080 B13R0.379 CCCCN(CC)C(=O)CC(C)(C)C 527a_100000207695_100000211214 [0,2,0,0,0,0|2,0,0]=4 5081 B13R0.379 CCCCN(CC)C(=O)CC(C)(C)O 527a_100000207695_100000693243 [0,2,0,0,0,0|2,0,0]=4 5082 B13R0.379 CCCCN(CC)C(=O)NC(C)(C)C 273464a_100000715429_100000207695 [0,2,0,0,0,0|2,0,0]=4 5083 B13R0.379 CCCOC(CC)C(=O)OC(C)(C)C 34a_100000210258_100000718401 [0,2,0,0,0,0|1,0,0]=3 5084 B13R0.379 CCCO[C@H](CC)C(=O)OC(C)(C)C 34a_100016236016_100000210303 [0,2,0,0,0,0|1,0,0]=3 5085 B13R0.379 CCCO[C@H](CC)C(=O)OC(C)(C)C 7a_100016236016_100000210303 [0,2,0,0,0,0|1,0,0]=3 5086 B13R0.379 CCCSC(CC)C(=O)NC(C)(C)C 62a_100000210303_200011763340 [0,2,0,0,0,0|2,0,0]=4 5087 B13R0.379 CCCSC(CC)C(=O)NC(C)(C)C 62a_200011763340_100000210303 [0,2,0,0,0,0|2,0,0]=4 5088 B13R0.379 CCCSC(CC)C(=O)OC(C)(C)C 62a_100000210303_100000718401 [0,2,0,0,0,0|1,0,0]=3 5089 B13R0.379 CCCSC(CC)C(=O)OC(C)(C)C 62a_100000718401_100000210303 [0,2,0,0,0,0|1,0,0]=3 5090 B13R0.379 CCN(CCOC)C(=O)OC(C)(C)C 34a_100011380615_200000210301 [0,2,0,0,0,0|2,0,0]=4 5091 B13R0.379 CCN(CCOC)C(=O)OC(C)(C)C 7a_100011380615_200000210301 [0,2,0,0,0,0|2,0,0]=4 5092 B13R0.379 CCN(CCO[13CH3])C(=O)OC(C)(C)C 34a_100011380615_200025704644 [0,2,0,0,0,0|2,0,0]=4 5093 B13R0.379 CCN(CCO[13CH3])C(=O)OC(C)(C)C 7a_100011380615_200025704644 [0,2,0,0,0,0|2,0,0]=4 5094 B13R0.379 CC[C@@H](OCCF)C(=O)OC(C)(C)C 34a_100016236016_100011217306 [0,2,0,0,0,0|2,0,0]=4 5095 B13R0.379 CC[C@@H](OCCF)C(=O)OC(C)(C)C 7a_100016236016_100011217306 [0,2,0,0,0,0|2,0,0]=4 5096 B13R0.379 CC[C@@H](OCCO)C(=O)OC(C)(C)C 34a_100016236016_100000211926 [0,2,0,0,0,0|2,0,0]=4 5097 B13R0.379 CC[C@@H](OCCO)C(=O)OC(C)(C)C 7a_100016236016_100000211926 [0,2,0,0,0,0|2,0,0]=4 5098 B13R0.379 CC[C@@H](OCSC)C(=O)OC(C)(C)C 34a_100016236016_100011218213 [0,2,0,0,0,0|2,0,0]=4 5099 B13R0.472 C=C(C)CC(=O)C(CC)CCCCC 1458a_100000697129_100000748629 [0,2,0,0,0,0|1,0,1]=4 5100 B13R0.472 CCC(NCCCF)C(=O)NC(C)C 2230a_100015189416_200011763342 [0,2,0,0,0,0|2,0,0]=4 5101 B13R0.472 CCC(NCCCF)C(=O)NC(C)C 34a_100015189416_200011763342 [0,2,0,0,0,0|2,0,0]=4 5102 B13R0.472 CCC(NCCOC)C(=O)NC(C)C 2230a_100000209980_200011763342 [0,2,0,0,0,0|2,0,0]=4 5103 B13R0.472 CCC(NCCSC)C(=O)NC(C)C 2230a_100020590264_200011763342 [0,2,0,0,0,0|2,0,0]=4 5104 B13R0.472 CCC(OCCCBr)C(=O)NC(C)C 34a_100011217188_200011763342 [0,2,0,0,0,0|2,0,0]=4 5105 B13R0.472 CCC(OCCCCl)C(=O)NC(C)C 34a_100000230001_200011763342 [0,2,0,0,0,0|2,0,0]=4 5106 B13R0.472 CCC(OCCCF)C(=O)NC(C)C 34a_100000759539_200011763342 [0,2,0,0,0,0|2,0,0]=4 5107 B13R0.472 CCC(OCCCN)C(=O)NC(C)C 34a_100000182051_200011763342 [0,2,0,0,0,0|2,0,0]=4 5108 B13R0.472 CCC(OCCOC)C(=O)NC(C)C 34a_100000210237_200011763342 [0,2,0,0,0,0|2,0,0]=4 5109 B13R0.472 CCC(OCCSC)C(=O)NC(C)C 34a_100000230434_200011763342 [0,2,0,0,0,0|2,0,0]=4 5110 B13R0.472 CCC(OCCSC)C(=O)NC(C)C 7a_100000230434_200011763342 [0,2,0,0,0,0|2,0,0]=4 5111 B13R0.472 CCC(SCCCF)C(=O)NC(C)C 62a_100011934791_200011763342 [0,2,0,0,0,0|2,0,0]=4 5112 B13R0.472 CCC(SCCCF)C(=O)NC(C)C 62a_200011763342_100011934791 [0,2,0,0,0,0|2,0,0]=4 5113 B13R0.472 CCC(SCCCO)C(=O)NC(C)C 62a_100011215043_200011763342 [0,2,0,0,0,0|2,0,0]=4 5114 B13R0.472 CCC(SCCCO)C(=O)NC(C)C 62a_200011763342_100011215043 [0,2,0,0,0,0|2,0,0]=4 5115 B13R0.472 CCC(SCCOC)C(=O)NC(C)C 62a_100000233755_200011763342 [0,2,0,0,0,0|2,0,0]=4 5116 B13R0.472 CCC(SCCOC)C(=O)NC(C)C 62a_200011763342_100000233755 [0,2,0,0,0,0|2,0,0]=4 5117 B13R0.472 CCC(SCCSC)C(=O)NC(C)C 62a_100000212216_200011763342 [0,2,0,0,0,0|2,0,0]=4 5118 B13R0.472 CCC(SCCSC)C(=O)NC(C)C 62a_200011763342_100000751147 [0,2,0,0,0,0|2,0,0]=4 5119 B13R0.472 CCCCCC(CC)C(=O)CC(C)C 1458a_100000697129_100000210624 [0,2,0,0,0,0|1,0,0]=3 5120 B13R0.472 CCCCCC(CC)C(=O)CC(C)O 1458a_100000697129_100011218427 [0,2,0,0,0,0|1,0,0]=3 5121 B13R0.472 CCCCCC(CC)C(=O)CC(F)F 1458a_100000697129_100011934356 [0,2,0,0,0,0|2,0,0]=4 5122 B13R0.472 CCCCCC(CC)C(=O)NC(C)C 11a_100138425928_100000697129 [0,2,0,0,0,0|1,0,0]=3 5123 B13R0.472 CCCCCC(CC)C(=O)NC(C)C 1626a_100138425928_100000697129 [0,2,0,0,0,0|1,0,0]=3 5124 B13R0.472 CCCCCC(CC)C(=O)NC(C)C 240690a_100138425928_100000697129 [0,2,0,0,0,0|1,0,0]=3 5125 B13R0.472 CCCCCC(CC)C(=O)NC(C)C 527a_100138425928_100000697129 [0,2,0,0,0,0|1,0,0]=3 5126 B13R0.472 CCCCNC(CC)C(=O)NC(C)C 2230a_100000102301_200011763342 [0,2,0,0,0,0|1,0,0]=3 5127 B13R0.472 CCCCNC(CC)C(=O)NC(C)C 7a_106832991798_200011763342 [0,2,0,0,0,0|1,0,0]=3 5128 B13R0.472 CCCCOC(CC)C(=O)NC(C)C 34a_100000210227_200011763342 [0,2,0,0,0,0|1,0,0]=3 5129 B13R0.472 CCCCOC(CC)C(=O)NC(C)C 7a_100000210227_200011763342 [0,2,0,0,0,0|1,0,0]=3 5130 B13R0.472 CCCCSC(CC)C(=O)NC(C)C 62a_100000210211_200011763342 [0,2,0,0,0,0|1,0,0]=3 5131 B13R0.472 CCCCSC(CC)C(=O)NC(C)C 62a_200011763342_100000210210 [0,2,0,0,0,0|1,0,0]=3 5132 B13R0.472 CCN(CCCCO)C(=O)CC(C)C 240690a_100011217355_100000210554 [0,2,0,0,0,0|2,0,0]=4 5133 B13R0.472 CCN(CCCCO)C(=O)C[C@@H](C)O 240690a_100011217355_100011933948 [0,2,0,0,0,0|2,0,0]=4 5134 B13R0.472 CCN(CCCCO)C(=O)NC(C)C 2708a_100138425928_100011217355 [0,2,0,0,0,0|2,0,0]=4 5135 B13R0.472 CCN(CCCCO)C(=O)NC(C)C 273464a_100138425928_100011217355 [0,2,0,0,0,0|2,0,0]=4 5136 B13R0.472 CCOCSC(CC)C(=O)NC(C)C 62a_100000739092_200011763342 [0,2,0,0,0,0|2,0,0]=4 5137 B13R0.472 CCOCSC(CC)C(=O)NC(C)C 62a_200011763342_100000739092 [0,2,0,0,0,0|2,0,0]=4 5138 B13R0.1310 CCCCN(C(=O)CC(C)C)C(C)C 11a_100000207398_100000210554 [0,2,0,0,0,0|2,0,0]=4 5139 B13R0.1310 CCCCN(C(=O)CC(C)C)C(C)C 1626a_100000207398_100000210554 [0,2,0,0,0,0|2,0,0]=4 5140 B13R0.1310 CCCCN(C(=O)CC(C)C)C(C)C 240690a_100000207398_100000210554 [0,2,0,0,0,0|2,0,0]=4 5141 B13R0.1310 CCCCN(C(=O)CC(C)C)C(C)C 527a_100000207398_100000210554 [0,2,0,0,0,0|2,0,0]=4 5142 B13R0.1310 CCCCN(C(=O)C[C@@H](C)O)C(C)C 240690a_100000207398_100011933948 [0,2,0,0,0,0|2,0,0]=4 5143 B13R0.1310 CCCCN(C(=O)NC(C)C)C(C)C 2708a_100138425928_100000207398 [0,2,0,0,0,0|2,0,0]=4 5144 B13R0.1310 CCCCN(C(=O)NC(C)C)C(C)C 273464a_100138425928_100000207398 [0,2,0,0,0,0|2,0,0]=4 5145 B13R0.1185 C#CC(OCCC)C(CC)CCCC 34a_200011216404_100000210303 [0,2,0,0,0,0|1,0,1]=4 5146 B13R0.1185 C#CC(OCCC)C(CC)CCCC 7a_200011216404_100000210303 [0,2,0,0,0,0|1,0,1]=4 5147 B13R0.1185 C#CC(OCCF)C(CC)CCCC 34a_200011216404_100011217306 [0,2,0,0,0,0|1,0,1]=4 5148 B13R0.1185 C#CC(OCCF)C(CC)CCCC 7a_200011216404_100011217306 [0,2,0,0,0,0|1,0,1]=4 5149 B13R0.1185 C#CC(OCCO)C(CC)CCCC 34a_200011216404_100000211926 [0,2,0,0,0,0|1,0,1]=4 5150 B13R0.1185 C#CC(OCCO)C(CC)CCCC 7a_200011216404_100000211926 [0,2,0,0,0,0|1,0,1]=4 5151 B13R0.1185 C#CC(OCSC)C(CC)CCCC 34a_200011216404_100011218213 [0,2,0,0,0,0|1,0,1]=4 5152 B13R0.477 CCCCN(C(=O)C(C)CC)C(C)C 11a_100000207398_100011192722 [0,2,0,0,0,0|2,0,0]=4 5153 B13R0.477 CCCCN(C(=O)C(C)CC)C(C)C 1626a_100000207398_100011192722 [0,2,0,0,0,0|2,0,0]=4 5154 B13R0.477 CCCCN(C(=O)C(C)CC)C(C)C 240690a_100000207398_100011192722 [0,2,0,0,0,0|2,0,0]=4 5155 B13R0.477 CCCCN(C(=O)C(C)CC)C(C)C 527a_100000207398_100011192722 [0,2,0,0,0,0|2,0,0]=4 5156 B13R0.477 CCCCN(C(=O)C(O)CC)C(C)C 240690a_100000207398_100011196387 [0,2,0,0,0,0|2,0,0]=4 5157 B13R0.512 CCC(C)C(=O)N(CC)CCCCO 240690a_100011217355_100011192722 [0,2,0,0,0,0|2,0,0]=4 5158 B13R0.512 CCC(O)C(=O)N(CC)CCCCO 240690a_100011217355_100011196387 [0,2,0,0,0,0|2,0,0]=4 5159 B13R0.512 CCCCCC(CC)C(=O)C(C)CC 1458a_100000697129_100000758301 [0,2,0,0,0,0|1,0,0]=3 5160 B13R0.512 CCCCCC(CC)C(=O)N(C)CC 11a_100000225621_100000697129 [0,2,0,0,0,0|1,0,0]=3 5161 B13R0.512 CCCCCC(CC)C(=O)N(C)CC 1626a_100000225621_100000697129 [0,2,0,0,0,0|1,0,0]=3 5162 B13R0.512 CCCCCC(CC)C(=O)N(C)CC 240690a_100000225621_100000697129 [0,2,0,0,0,0|1,0,0]=3 5163 B13R0.512 CCCCCC(CC)C(=O)N(C)CC 527a_100000225621_100000697129 [0,2,0,0,0,0|1,0,0]=3 5164 B13R0.648 CCCCC(CC)C(=O)C(C)(C)CC 1458a_100000749717_200011216223 [0,2,0,0,0,0|1,0,0]=3 5165 B13R0.648 CCCCC(CC)C(=O)C(C)(C)CF 1458a_100000138116_200011216223 [0,2,0,0,0,0|2,0,0]=4 5166 B13R0.648 CCCCC(CC)C(=O)C(C)(C)CO 1458a_100000749806_200011216223 [0,2,0,0,0,0|2,0,0]=4 5167 B13R0.648 CCCCC(CC)C(=O)C(C)(C)OC 1458a_100000753492_200011216223 [0,2,0,0,0,0|2,0,0]=4 5168 B13R0.648 CCCCC(CC)C(=O)C(C)(O)CC 1458a_100011219770_200011216223 [0,2,0,0,0,0|1,0,0]=3 5169 B13R0.648 CCCCC(CC)C(=O)C(F)(F)CC 1458a_100000061896_200011216223 [0,2,0,0,0,0|1,0,0]=3 5170 B13R0.648 CCCCN(CC)C(=O)C(C)(C)CC 11a_100000207695_100000749717 [0,2,0,0,0,0|2,0,0]=4 5171 B13R0.648 CCCCN(CC)C(=O)C(C)(C)CC 1626a_100000207695_100000749717 [0,2,0,0,0,0|2,0,0]=4 5172 B13R0.648 CCCCN(CC)C(=O)C(C)(C)CC 240690a_100000207695_100000749717 [0,2,0,0,0,0|2,0,0]=4 5173 B13R0.648 CCCCN(CC)C(=O)C(C)(C)CC 527a_100000207695_100000749717 [0,2,0,0,0,0|2,0,0]=4 5174 B13R0.648 CCCCN(CC)C(=O)C(C)(O)CC 240690a_100000207695_100011219770 [0,2,0,0,0,0|2,0,0]=4 5175 B13R0.648 CCCCN(CC)C(=O)C(F)(F)CC 11a_100000207695_100000061896 [0,2,0,0,0,0|2,0,0]=4 5176 B13R0.648 CCCCN(CC)C(=O)C(F)(F)CC 1626a_100000207695_100000061896 [0,2,0,0,0,0|2,0,0]=4 5177 B13R0.648 CCCCN(CC)C(=O)C(F)(F)CC 240690a_100000207695_100000061896 [0,2,0,0,0,0|2,0,0]=4 5178 B13R0.648 CCCCN(CC)C(=O)C(F)(F)CC 527a_100000207695_100000061896 [0,2,0,0,0,0|2,0,0]=4 5179 B13R0.1191 CCCCC(CC)C(=O)C(CC)CC 1458a_100000211130_100000210505 [0,2,0,0,0,0|1,0,0]=3 5180 B13R0.1191 CCCCC(CC)C(=O)C(CC)CC 1458a_100000211163_200011216223 [0,2,0,0,0,0|1,0,0]=3 5181 B13R0.1191 CCCCC(CC)C(=O)C(CC)OC 1458a_100000747056_200011216223 [0,2,0,0,0,0|1,0,0]=3 5182 B13R0.1191 CCCCC(CC)C(=O)C(OC)OC 1458a_100000046285_200011216223 [0,2,0,0,0,0|2,0,0]=4 5183 B13R0.1191 CCCCC(CC)C(=O)N(CC)CC 11a_100000724800_100000211130 [0,2,0,0,0,0|1,0,0]=3 5184 B13R0.1191 CCCCC(CC)C(=O)N(CC)CC 1626a_100000724800_100000211130 [0,2,0,0,0,0|1,0,0]=3 5185 B13R0.1191 CCCCC(CC)C(=O)N(CC)CC 240690a_100000724800_100000211130 [0,2,0,0,0,0|1,0,0]=3 5186 B13R0.1191 CCCCC(CC)C(=O)N(CC)CC 527a_100000724800_100000211130 [0,2,0,0,0,0|1,0,0]=3 5187 B13R0.1191 CCCCN(CC)C(=O)C(CC)CC 11a_100000207695_100000211163 [0,2,0,0,0,0|2,0,0]=4 5188 B13R0.1191 CCCCN(CC)C(=O)C(CC)CC 1626a_100000207695_100000211163 [0,2,0,0,0,0|2,0,0]=4 5189 B13R0.1191 CCCCN(CC)C(=O)C(CC)CC 240690a_100000207695_100000211163 [0,2,0,0,0,0|2,0,0]=4 5190 B13R0.1191 CCCCN(CC)C(=O)C(CC)CC 527a_100000207695_100000211163 [0,2,0,0,0,0|2,0,0]=4 5191 B13R0.1191 CCCCN(CC)C(=O)C(CC)OC 11a_100000207695_100000747056 [0,2,0,0,0,0|2,0,0]=4 5192 B13R0.1191 CCCCN(CC)C(=O)C(CC)OC 1626a_100000207695_100000747056 [0,2,0,0,0,0|2,0,0]=4 5193 B13R0.1191 CCCCN(CC)C(=O)C(CC)OC 240690a_100000207695_100000747056 [0,2,0,0,0,0|2,0,0]=4 5194 B13R0.1191 CCCCN(CC)C(=O)C(CC)OC 527a_100000207695_100000747056 [0,2,0,0,0,0|2,0,0]=4 5195 B13R0.1191 CCCSC(CC)C(=O)N(CC)CC 62a_100000210303_200011763339 [0,2,0,0,0,0|2,0,0]=4 5196 B13R0.1191 CCCSC(CC)C(=O)N(CC)CC 62a_200011763339_100000210303 [0,2,0,0,0,0|2,0,0]=4 5197 B13R0.498 CCC=CC(=O)N(CCCC)C(C)C 11a_100000207398_100000212282 [0,2,0,0,0,0|2,0,0]=4 5198 B13R0.498 CCC=CC(=O)N(CCCC)C(C)C 1626a_100000207398_100000212282 [0,2,0,0,0,0|2,0,0]=4 5199 B13R0.498 CCC=CC(=O)N(CCCC)C(C)C 240690a_100000207398_100000212282 [0,2,0,0,0,0|2,0,0]=4 5200 B13R0.498 CCCCC(=O)N(CCCC)C(C)C 11a_100000207398_100000210183 [0,2,0,0,0,0|2,0,0]=4 5201 B13R0.498 CCCCC(=O)N(CCCC)C(C)C 1626a_100000207398_100000210183 [0,2,0,0,0,0|2,0,0]=4 5202 B13R0.498 CCCCC(=O)N(CCCC)C(C)C 240690a_100000207398_100000210183 [0,2,0,0,0,0|2,0,0]=4 5203 B13R0.498 CCCCC(=O)N(CCCC)C(C)C 527a_100000207398_100000210183 [0,2,0,0,0,0|2,0,0]=4 5204 B13R0.498 CCCCC(C(=O)N)C(=O)COCC 1458a_100000211967_100000748834 [0,2,0,0,0,0|1,0,1]=4 5205 B13R0.498 CCCCN(C(=O)CCOC)C(C)C 11a_100000207398_100000749529 [0,2,0,0,0,0|2,0,0]=4 5206 B13R0.498 CCCCN(C(=O)CCOC)C(C)C 1626a_100000207398_100000749529 [0,2,0,0,0,0|2,0,0]=4 5207 B13R0.498 CCCCN(C(=O)CCOC)C(C)C 240690a_100000207398_100000749529 [0,2,0,0,0,0|2,0,0]=4 5208 B13R0.498 CCCCN(C(=O)CCOC)C(C)C 527a_100000207398_100000749529 [0,2,0,0,0,0|2,0,0]=4 5209 B13R0.498 CCCCN(C(=O)CCSC)C(C)C 11a_100000207398_100000174002 [0,2,0,0,0,0|2,0,0]=4 5210 B13R0.498 CCCCN(C(=O)CCSC)C(C)C 1626a_100000207398_100000174002 [0,2,0,0,0,0|2,0,0]=4 5211 B13R0.498 CCCCN(C(=O)CCSC)C(C)C 240690a_100000207398_100000174002 [0,2,0,0,0,0|2,0,0]=4 5212 B13R0.498 CCCCN(C(=O)CCSC)C(C)C 527a_100000207398_100000174002 [0,2,0,0,0,0|2,0,0]=4 5213 B13R0.498 CCCCN(C(=O)COCC)C(C)C 11a_100000207398_100000211967 [0,2,0,0,0,0|1,0,0]=3 5214 B13R0.498 CCCCN(C(=O)COCC)C(C)C 1626a_100000207398_100000211967 [0,2,0,0,0,0|1,0,0]=3 5215 B13R0.498 CCCCN(C(=O)COCC)C(C)C 240690a_100000207398_100000211967 [0,2,0,0,0,0|1,0,0]=3 5216 B13R0.498 CCCCN(C(=O)COCC)C(C)C 527a_100000207398_100000211967 [0,2,0,0,0,0|1,0,0]=3 5217 B13R0.498 CCCCN(C(=O)CSCC)C(C)C 11a_100000207398_100000230394 [0,2,0,0,0,0|1,1,0]=4 5218 B13R0.498 CCCCN(C(=O)CSCC)C(C)C 1626a_100000207398_100000230394 [0,2,0,0,0,0|1,1,0]=4 5219 B13R0.498 CCCCN(C(=O)CSCC)C(C)C 240690a_100000207398_100000230394 [0,2,0,0,0,0|1,1,0]=4 5220 B13R0.498 CCCCN(C(=O)CSCC)C(C)C 527a_100000207398_100000230394 [0,2,0,0,0,0|1,1,0]=4 5221 B13R0.498 CCCCN(C(=O)NCCC)C(C)C 2708a_100020643023_100000207398 [0,2,0,0,0,0|2,0,0]=4 5222 B13R0.498 CCCCN(C(=O)NCCC)C(C)C 273464a_100020643023_100000207398 [0,2,0,0,0,0|2,0,0]=4 5223 B13R0.498 CCCCN(C(=O)NCCF)C(C)C 273464a_100000724931_100000207398 [0,2,0,0,0,0|2,0,0]=4 5224 B13R0.498 CCCCN(C(=O)NCCO)C(C)C 273464a_100000210304_100000207398 [0,2,0,0,0,0|2,0,0]=4 5225 B13R0.498 CCOCC(=O)N(CCCO)C(C)C 240690a_100000182298_100000211967 [0,2,0,0,0,0|2,0,0]=4 5226 B13R0.498 CCOCC(=O)N(CCCO)C(C)C 527a_100000182298_100000211967 [0,2,0,0,0,0|2,0,0]=4 5227 B13R0.498 CCOCC(=O)N(CCOC)C(C)C 11a_200000223778_100000211967 [0,2,0,0,0,0|2,0,0]=4 5228 B13R0.498 CCOCC(=O)N(CCOC)C(C)C 1626a_200000223778_100000211967 [0,2,0,0,0,0|2,0,0]=4 5229 B13R0.498 CCOCC(=O)N(CCOC)C(C)C 240690a_200000223778_100000211967 [0,2,0,0,0,0|2,0,0]=4 5230 B13R0.498 CCOCC(=O)N(CCOC)C(C)C 527a_200000223778_100000211967 [0,2,0,0,0,0|2,0,0]=4 5231 B13R0.710 CCCOC(C(=O)OCC)C(F)(F)F 34a_100000210258_200010009677 [0,2,0,0,0,0|2,0,0]=4 5232 B13R0.710 CCCSC(C(=O)OCC)C(F)(F)F 62a_100000210303_200010009677 [0,2,0,0,0,0|2,0,0]=4 5233 B13R0.710 CCCSC(C(=O)OCC)C(F)(F)F 62a_200010009677_100000210303 [0,2,0,0,0,0|2,0,0]=4 5234 B13R0.1271 C#CCCNC(C(=O)OCC)C(C)C 34a_100000755551_100000740032 [0,2,0,0,0,0|0,0,2]=4 5235 B13R0.1271 C#CCCOC(C(=O)OCC)C(C)C 34a_100011215631_100000740032 [0,2,0,0,0,0|0,0,2]=4 5236 B13R0.1271 C#CCCSC(C(=O)OCC)C(C)C 62a_100000688953_100000740032 [0,2,0,0,0,0|0,0,2]=4 5237 B13R0.1271 C#CCCSC(C(=O)OCC)C(C)C 62a_100000740032_100000688953 [0,2,0,0,0,0|0,0,2]=4 5238 B13R0.1271 C/C=C/COC(C(=O)OCC)C(C)C 34a_100016270725_100000740032 [0,2,0,0,0,0|0,0,2]=4 5239 B13R0.1271 C/C=C/CSC(C(=O)OCC)C(C)C 62a_100000740032_100102629194 [0,2,0,0,0,0|0,0,2]=4 5240 B13R0.1271 C/C=C/CSC(C(=O)OCC)C(C)C 62a_100102629194_100000740032 [0,2,0,0,0,0|0,0,2]=4 5241 B13R0.1271 C=CCCOC(C(=O)OCC)C(C)C 34a_100011205117_100000740032 [0,2,0,0,0,0|0,0,2]=4 5242 B13R0.1271 C=CCCSC(C(=O)OCC)C(C)C 62a_100000740032_100000754431 [0,2,0,0,0,0|0,0,2]=4 5243 B13R0.1271 C=CCCSC(C(=O)OCC)C(C)C 62a_100000754431_100000740032 [0,2,0,0,0,0|0,0,2]=4 5244 B13R0.1271 CC#CCNC(C(=O)OCC)C(C)C 34a_100000685387_100000740032 [0,2,0,0,0,0|0,0,2]=4 5245 B13R0.1271 CC#CCOC(C(=O)OCC)C(C)C 34a_100000761923_100000740032 [0,2,0,0,0,0|0,0,2]=4 5246 B13R0.1271 CC#CCSC(C(=O)OCC)C(C)C 62a_100000740032_100000748600 [0,2,0,0,0,0|0,0,2]=4 5247 B13R0.1271 CC#CCSC(C(=O)OCC)C(C)C 62a_100000748600_100000740032 [0,2,0,0,0,0|0,0,2]=4 5248 B13R0.1271 CC=CCSC(C(=O)OCC)C(C)C 62a_100000070051_100000740032 [0,2,0,0,0,0|0,0,2]=4 5249 B13R0.1271 CC=CCSC(C(=O)OCC)C(C)C 62a_100000740032_100000070051 [0,2,0,0,0,0|0,0,2]=4 5250 B13R0.1271 CCCC(=O)N(CCCCO)C(C)C 240690a_100011521146_100000211992 [0,2,0,0,0,0|2,0,0]=4 5251 B13R0.1271 CCCCCC(C(=O)C)C(=O)OCC 1458a_100000070787_200009813352 [0,2,0,0,0,0|0,0,1]=3 5252 B13R0.1271 CCCCCC(C(=O)OCC)N(C)C 2230a_100102631434_200009813352 [0,2,0,0,0,0|1,0,0]=3 5253 B13R0.1271 CCCCCC(C(=O)OCC)N(C)C 269982a_100102631434_200009813352 [0,2,0,0,0,0|1,0,0]=3 5254 B13R0.1271 CCCCCN(C(=O)CCC)C(C)C 11a_100000223497_100000211992 [0,2,0,0,0,0|2,0,0]=4 5255 B13R0.1271 CCCCCN(C(=O)CCC)C(C)C 1626a_100000223497_100000211992 [0,2,0,0,0,0|2,0,0]=4 5256 B13R0.1271 CCCCCN(C(=O)CCC)C(C)C 240690a_100000223497_100000211992 [0,2,0,0,0,0|2,0,0]=4 5257 B13R0.1271 CCCCCN(C(=O)CCC)C(C)C 527a_100000223497_100000211992 [0,2,0,0,0,0|2,0,0]=4 5258 B13R0.1271 CCCCCN(C(=O)NCC)C(C)C 2708a_100015525214_100000223497 [0,2,0,0,0,0|2,0,0]=4 5259 B13R0.1271 CCCCCN(C(=O)NCC)C(C)C 273464a_100015525214_100000223497 [0,2,0,0,0,0|2,0,0]=4 5260 B13R0.1271 CCCCNC(C(=O)OCC)C(C)C 7a_106832991798_100000740032 [0,2,0,0,0,0|0,0,0]=2 5261 B13R0.1271 CCCCOC(C(=O)C)C(=O)OCC 34a_100000210227_100009831564 [0,2,0,0,0,0|0,0,1]=3 5262 B13R0.1271 CCCCOC(C(=O)OCC)C(C)C 34a_100000210227_100000740032 [0,2,0,0,0,0|0,0,0]=2 5263 B13R0.1271 CCCCOC(C(=O)OCC)C(C)C 7a_100000210227_100000740032 [0,2,0,0,0,0|0,0,0]=2 5264 B13R0.1271 CCCCSC(C(=O)C)C(=O)OCC 62a_100000210211_100000211040 [0,2,0,0,0,0|0,0,1]=3 5265 B13R0.1271 CCCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000210210 [0,2,0,0,0,0|0,0,1]=3 5266 B13R0.1271 CCCCSC(C(=O)OCC)C(C)C 62a_100000210211_100000740032 [0,2,0,0,0,0|0,0,0]=2 5267 B13R0.1271 CCCCSC(C(=O)OCC)C(C)C 62a_100000740032_100000210210 [0,2,0,0,0,0|0,0,0]=2 5268 B13R0.1271 CCCNN=C(C(=O)OCC)C(C)C 4a_100000740057_100000211509 [0,2,0,0,0,0|1,0,1]=4 5269 B13R0.1271 CCNC(=O)N(CCCCO)C(C)C 2708a_100015525214_100011521146 [0,2,0,0,0,0|2,0,0]=4 5270 B13R0.1271 CCNC(=O)N(CCCCO)C(C)C 273464a_100015525214_100011521146 [0,2,0,0,0,0|2,0,0]=4 5271 B13R0.1271 CCOC(=O)C(NCCCF)C(=O)C 34a_100015189416_100009831564 [0,2,0,0,0,0|1,0,1]=4 5272 B13R0.1271 CCOC(=O)C(NCCCF)C(C)C 34a_100015189416_100000740032 [0,2,0,0,0,0|1,0,0]=3 5273 B13R0.1271 CCOC(=O)C(OCCCBr)C(=O)C 34a_100011217188_100009831564 [0,2,0,0,0,0|1,0,1]=4 5274 B13R0.1271 CCOC(=O)C(OCCCBr)C(C)C 34a_100011217188_100000740032 [0,2,0,0,0,0|1,0,0]=3 5275 B13R0.1271 CCOC(=O)C(OCCCCl)C(=O)C 34a_100000230001_100009831564 [0,2,0,0,0,0|1,0,1]=4 5276 B13R0.1271 CCOC(=O)C(OCCCCl)C(C)C 34a_100000230001_100000740032 [0,2,0,0,0,0|1,0,0]=3 5277 B13R0.1271 CCOC(=O)C(OCCCF)C(=O)C 34a_100000759539_100009831564 [0,2,0,0,0,0|1,0,1]=4 5278 B13R0.1271 CCOC(=O)C(OCCCF)C(C)C 34a_100000759539_100000740032 [0,2,0,0,0,0|1,0,0]=3 5279 B13R0.1271 CCOC(=O)C(OCCCN)C(=O)C 34a_100000182051_100009831564 [0,2,0,0,0,0|1,0,1]=4 5280 B13R0.1271 CCOC(=O)C(OCCCN)C(C)C 34a_100000182051_100000740032 [0,2,0,0,0,0|1,0,0]=3 5281 B13R0.1271 CCOC(=O)C(OCCOC)C(=O)C 34a_100000210237_100009831564 [0,2,0,0,0,0|1,0,1]=4 5282 B13R0.1271 CCOC(=O)C(OCCOC)C(C)C 34a_100000210237_100000740032 [0,2,0,0,0,0|1,0,0]=3 5283 B13R0.1271 CCOC(=O)C(OCCON)C(C)C 34a_100000700252_100000740032 [0,2,0,0,0,0|2,0,0]=4 5284 B13R0.1271 CCOC(=O)C(OCCSC)C(=O)C 34a_100000230434_100009831564 [0,2,0,0,0,0|1,0,1]=4 5285 B13R0.1271 CCOC(=O)C(OCCSC)C(C)C 34a_100000230434_100000740032 [0,2,0,0,0,0|1,0,0]=3 5286 B13R0.1271 CCOC(=O)C(OCCSC)C(C)C 7a_100000230434_100000740032 [0,2,0,0,0,0|1,0,0]=3 5287 B13R0.1271 CCOC(=O)C(SCCC#N)C(C)C 62a_100000740032_100011215226 [0,2,0,0,0,0|1,0,1]=4 5288 B13R0.1271 CCOC(=O)C(SCCC#N)C(C)C 62a_100011215226_100000740032 [0,2,0,0,0,0|1,0,1]=4 5289 B13R0.1271 CCOC(=O)C(SCCCF)C(=O)C 62a_100000211040_100011934791 [0,2,0,0,0,0|1,0,1]=4 5290 B13R0.1271 CCOC(=O)C(SCCCF)C(=O)C 62a_100011934791_100000211040 [0,2,0,0,0,0|1,0,1]=4 5291 B13R0.1271 CCOC(=O)C(SCCCF)C(C)C 62a_100000740032_100011934791 [0,2,0,0,0,0|1,0,0]=3 5292 B13R0.1271 CCOC(=O)C(SCCCF)C(C)C 62a_100011934791_100000740032 [0,2,0,0,0,0|1,0,0]=3 5293 B13R0.1271 CCOC(=O)C(SCCCO)C(=O)C 62a_100000211040_100011215043 [0,2,0,0,0,0|1,0,1]=4 5294 B13R0.1271 CCOC(=O)C(SCCCO)C(=O)C 62a_100011215043_100000211040 [0,2,0,0,0,0|1,0,1]=4 5295 B13R0.1271 CCOC(=O)C(SCCCO)C(C)C 62a_100000740032_100011215043 [0,2,0,0,0,0|1,0,0]=3 5296 B13R0.1271 CCOC(=O)C(SCCCO)C(C)C 62a_100011215043_100000740032 [0,2,0,0,0,0|1,0,0]=3 5297 B13R0.1271 CCOC(=O)C(SCCOC)C(=O)C 62a_100000211040_100000233755 [0,2,0,0,0,0|1,0,1]=4 5298 B13R0.1271 CCOC(=O)C(SCCOC)C(=O)C 62a_100000233755_100000211040 [0,2,0,0,0,0|1,0,1]=4 5299 B13R0.1271 CCOC(=O)C(SCCOC)C(C)C 62a_100000233755_100000740032 [0,2,0,0,0,0|1,0,0]=3 5300 B13R0.1271 CCOC(=O)C(SCCOC)C(C)C 62a_100000740032_100000233755 [0,2,0,0,0,0|1,0,0]=3 5301 B13R0.1271 CCOC(=O)C(SCCSC)C(=O)C 62a_100000211040_100000751147 [0,2,0,0,0,0|1,0,1]=4 5302 B13R0.1271 CCOC(=O)C(SCCSC)C(=O)C 62a_100000212216_100000211040 [0,2,0,0,0,0|1,0,1]=4 5303 B13R0.1271 CCOC(=O)C(SCCSC)C(C)C 62a_100000212216_100000740032 [0,2,0,0,0,0|1,0,0]=3 5304 B13R0.1271 CCOC(=O)C(SCCSC)C(C)C 62a_100000740032_100000751147 [0,2,0,0,0,0|1,0,0]=3 5305 B13R0.1271 CCOCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000739092 [0,2,0,0,0,0|1,0,1]=4 5306 B13R0.1271 CCOCSC(C(=O)C)C(=O)OCC 62a_100000739092_100000211040 [0,2,0,0,0,0|1,0,1]=4 5307 B13R0.1271 CCOCSC(C(=O)OCC)C(C)C 62a_100000739092_100000740032 [0,2,0,0,0,0|1,0,0]=3 5308 B13R0.1271 CCOCSC(C(=O)OCC)C(C)C 62a_100000740032_100000739092 [0,2,0,0,0,0|1,0,0]=3 5309 B13R0.378 C=C(C)CCC(=O)C(CC)CCCC 1458a_100000211130_100000730704 [0,2,0,0,0,0|1,0,0]=3 5310 B13R0.378 C=C(C)CCC(=O)C(CC)CCCC 1458a_200000688413_200011216223 [0,2,0,0,0,0|1,0,0]=3 5311 B13R0.378 C=C(C)CCC(=O)N(CC)CCCC 11a_100000207695_200000688413 [0,2,0,0,0,0|2,0,0]=4 5312 B13R0.378 C=C(C)CCC(=O)N(CC)CCCC 1626a_100000207695_200000688413 [0,2,0,0,0,0|2,0,0]=4 5313 B13R0.378 C=C(C)CCC(=O)N(CC)CCCC 240690a_100000207695_200000688413 [0,2,0,0,0,0|2,0,0]=4 5314 B13R0.378 C=C(C)CCC(=O)N(CC)CCCC 527a_100000207695_200000688413 [0,2,0,0,0,0|2,0,0]=4 5315 B13R0.378 C=C(C)CNC(=O)C(CC)CCCC 11a_100000765925_100000211130 [0,2,0,0,0,0|1,0,0]=3 5316 B13R0.378 C=C(C)CNC(=O)C(CC)CCCC 1626a_100000765925_100000211130 [0,2,0,0,0,0|1,0,0]=3 5317 B13R0.378 C=C(C)CNC(=O)C(CC)CCCC 240690a_100000765925_100000211130 [0,2,0,0,0,0|1,0,0]=3 5318 B13R0.378 C=C(C)CNC(=O)C(CC)CCCC 527a_100000765925_100000211130 [0,2,0,0,0,0|1,0,0]=3 5319 B13R0.378 C=C(C)CNC(=O)N(CC)CCCC 2708a_100000765925_100000207695 [0,2,0,0,0,0|2,0,0]=4 5320 B13R0.378 C=C(C)CNC(=O)N(CC)CCCC 273464a_100000765925_100000207695 [0,2,0,0,0,0|2,0,0]=4 5321 B13R0.378 C=C(C)COC(C)C(CC)CCCC 34a_200011290779_100000748629 [0,2,0,0,0,0|1,0,1]=4 5322 B13R0.378 C=C(C)COC(C)C(CC)CCCC 7a_200011290779_100000748629 [0,2,0,0,0,0|1,0,1]=4 5323 B13R0.378 CCCCC(CC)C(=O)C=CC(C)C 1458a_100016268746_200011216223 [0,2,0,0,0,0|1,0,0]=3 5324 B13R0.378 CCCCC(CC)C(=O)CC=C(C)C 1458a_100000211130_100000761012 [0,2,0,0,0,0|1,0,1]=4 5325 B13R0.378 CCCCC(CC)C(=O)CC=C(C)C 1458a_100011220947_200011216223 [0,2,0,0,0,0|1,0,1]=4 5326 B13R0.378 CCCCC(CC)C(=O)CCC(=O)N 1458a_100011215257_200011216223 [0,2,0,0,0,0|1,0,1]=4 5327 B13R0.378 CCCCC(CC)C(=O)CCC(C)C 1458a_100000181311_200011216223 [0,2,0,0,0,0|1,0,0]=3 5328 B13R0.378 CCCCC(CC)C(=O)CCC(C)C 1458a_100000211130_100000210312 [0,2,0,0,0,0|1,0,0]=3 5329 B13R0.378 CCCCC(CC)C(=O)CCC(C)O 1458a_100000211130_100012276601 [0,2,0,0,0,0|1,0,0]=3 5330 B13R0.378 CCCCC(CC)C(=O)CC[N+](=O)[O-] 1458a_200000064761_200011216223 [0,2,0,0,0,0|2,0,0]=4 5331 B13R0.378 CCCCC(CC)C(=O)CC[S+](C)C 1458a_100009452791_200011216223 [0,2,0,0,0,0|1,0,0]=3 5332 B13R0.378 CCCCC(CC)C(=O)CNC(=O)C 1458a_100000194580_200011216223 [0,2,0,0,0,0|1,0,1]=4 5333 B13R0.378 CCCCC(CC)C(=O)COC(=O)C 1458a_100000183556_200011216223 [0,2,0,0,0,0|0,0,1]=3 5334 B13R0.378 CCCCC(CC)C(=O)COC(C)C 1458a_100000745533_200011216223 [0,2,0,0,0,0|0,0,0]=2 5335 B13R0.378 CCCCC(CC)C(=O)COC(F)F 1458a_200000719455_200011216223 [0,2,0,0,0,0|1,0,0]=3 5336 B13R0.378 CCCCC(CC)C(=O)CSC(=O)C 1458a_100000049016_200011216223 [0,2,0,0,0,0|0,1,1]=4 5337 B13R0.378 CCCCC(CC)C(=O)CSC(C)C 1458a_100000241585_200011216223 [0,2,0,0,0,0|0,1,0]=3 5338 B13R0.378 CCCCC(CC)C(=O)CSC(F)F 1458a_114828291038_200011216223 [0,2,0,0,0,0|1,1,0]=4 5339 B13R0.378 CCCCC(CC)C(=O)NCC(=O)N 11a_100000711301_100000211130 [0,2,0,0,0,0|1,0,1]=4 5340 B13R0.378 CCCCC(CC)C(=O)NCC(=O)N 240690a_100000711301_100000211130 [0,2,0,0,0,0|1,0,1]=4 5341 B13R0.378 CCCCC(CC)C(=O)NCC(=O)N 527a_100000711301_100000211130 [0,2,0,0,0,0|1,0,1]=4 5342 B13R0.378 CCCCC(CC)C(=O)NCC(C)C 11a_100000210953_100000211130 [0,2,0,0,0,0|1,0,0]=3 5343 B13R0.378 CCCCC(CC)C(=O)NCC(C)C 1626a_100000210953_100000211130 [0,2,0,0,0,0|1,0,0]=3 5344 B13R0.378 CCCCC(CC)C(=O)NCC(C)C 240690a_100000210953_100000211130 [0,2,0,0,0,0|1,0,0]=3 5345 B13R0.378 CCCCC(CC)C(=O)NCC(C)C 527a_100000210953_100000211130 [0,2,0,0,0,0|1,0,0]=3 5346 B13R0.378 CCCCC(CC)C(=O)NCC(C)O 11a_100000210904_100000211130 [0,2,0,0,0,0|1,0,0]=3 5347 B13R0.378 CCCCC(CC)C(=O)NCC(C)O 240690a_100000210904_100000211130 [0,2,0,0,0,0|1,0,0]=3 5348 B13R0.378 CCCCC(CC)C(=O)NCC(C)O 527a_100000210904_100000211130 [0,2,0,0,0,0|1,0,0]=3 5349 B13R0.378 CCCCC(CC)C(=O)NCC(F)F 11a_100000765723_100000211130 [0,2,0,0,0,0|1,0,0]=3 5350 B13R0.378 CCCCC(CC)C(=O)NCC(F)F 1626a_100000765723_100000211130 [0,2,0,0,0,0|1,0,0]=3 5351 B13R0.378 CCCCC(CC)C(=O)NCC(F)F 240690a_100000765723_100000211130 [0,2,0,0,0,0|1,0,0]=3 5352 B13R0.378 CCCCC(CC)C(=O)NCC(F)F 527a_100000765723_100000211130 [0,2,0,0,0,0|1,0,0]=3 5353 B13R0.378 CCCCC(CC)C(=O)NNC(=O)C 22a_100000189765_100000211130 [0,2,0,0,0,0|1,0,1]=4 5354 B13R0.378 CCCCC(CC)C(=O)NNC(C)C 22a_100000741168_100000211130 [0,2,0,0,0,0|1,0,0]=3 5355 B13R0.378 CCCCC(CC)C(C)OCC(C)C 34a_200011290779_100000210624 [0,2,0,0,0,0|1,0,1]=4 5356 B13R0.378 CCCCC(CC)C(C)OCC(C)C 7a_200011290779_100000210760 [0,2,0,0,0,0|1,0,1]=4 5357 B13R0.378 CCCCC(CC)C(C)OCC(C)O 34a_200011290779_100011218427 [0,2,0,0,0,0|1,0,1]=4 5358 B13R0.378 CCCCC(CC)C(C)OCC(C)O 7a_200011290779_100011218427 [0,2,0,0,0,0|1,0,1]=4 5359 B13R0.378 CCCCC(CC)C(C)OCC(F)F 34a_200011290779_100011934356 [0,2,0,0,0,0|1,0,1]=4 5360 B13R0.378 CCCCC(CC)C(C)OCC(F)F 7a_200011290779_100011934356 [0,2,0,0,0,0|1,0,1]=4 5361 B13R0.378 CCCCC(CC)C(C)OC[C@@H](C)O 34a_200011290779_100009817552 [0,2,0,0,0,0|1,0,1]=4 5362 B13R0.378 CCCCC(CC)C(C)OC[C@@H](C)O 7a_200011290779_100009817552 [0,2,0,0,0,0|1,0,1]=4 5363 B13R0.378 CCCCN(CC)C(=O)C=CC(C)C 11a_100000207695_100016268746 [0,2,0,0,0,0|2,0,0]=4 5364 B13R0.378 CCCCN(CC)C(=O)C=CC(C)C 1626a_100000207695_100016268746 [0,2,0,0,0,0|2,0,0]=4 5365 B13R0.378 CCCCN(CC)C(=O)C=CC(C)C 240690a_100000207695_100016268746 [0,2,0,0,0,0|2,0,0]=4 5366 B13R0.378 CCCCN(CC)C(=O)CCC(C)C 11a_100000207695_100000181311 [0,2,0,0,0,0|2,0,0]=4 5367 B13R0.378 CCCCN(CC)C(=O)CCC(C)C 1626a_100000207695_100000181311 [0,2,0,0,0,0|2,0,0]=4 5368 B13R0.378 CCCCN(CC)C(=O)CCC(C)C 240690a_100000207695_100000181311 [0,2,0,0,0,0|2,0,0]=4 5369 B13R0.378 CCCCN(CC)C(=O)CCC(C)C 527a_100000207695_100000181311 [0,2,0,0,0,0|2,0,0]=4 5370 B13R0.378 CCCCN(CC)C(=O)CCC(C)O 1626a_100000207695_100000718519 [0,2,0,0,0,0|2,0,0]=4 5371 B13R0.378 CCCCN(CC)C(=O)CCN(C)C 11a_100000207695_100000689311 [0,2,0,0,0,0|2,0,0]=4 5372 B13R0.378 CCCCN(CC)C(=O)CCN(C)C 240690a_100000207695_100000689311 [0,2,0,0,0,0|2,0,0]=4 5373 B13R0.378 CCCCN(CC)C(=O)CCN(C)C 527a_100000207695_100000689311 [0,2,0,0,0,0|2,0,0]=4 5374 B13R0.378 CCCCN(CC)C(=O)CC[S+](C)C 11a_100000207695_100009452791 [0,2,0,0,0,0|2,0,0]=4 5375 B13R0.378 CCCCN(CC)C(=O)CC[S+](C)C 1626a_100000207695_100009452791 [0,2,0,0,0,0|2,0,0]=4 5376 B13R0.378 CCCCN(CC)C(=O)CC[S+](C)C 240690a_100000207695_100009452791 [0,2,0,0,0,0|2,0,0]=4 5377 B13R0.378 CCCCN(CC)C(=O)CNC(C)C 2230a_100138425928_100000230192 [0,2,0,0,0,0|2,0,0]=4 5378 B13R0.378 CCCCN(CC)C(=O)CNC(C)C 34a_100138425928_100000230192 [0,2,0,0,0,0|2,0,0]=4 5379 B13R0.378 CCCCN(CC)C(=O)COC(=O)C 1626a_100000207695_100000183556 [0,2,0,0,0,0|1,0,1]=4 5380 B13R0.378 CCCCN(CC)C(=O)COC(=O)C 240690a_100000207695_100000183556 [0,2,0,0,0,0|1,0,1]=4 5381 B13R0.378 CCCCN(CC)C(=O)COC(=O)C 527a_100000207695_100000183556 [0,2,0,0,0,0|1,0,1]=4 5382 B13R0.378 CCCCN(CC)C(=O)COC(C)C 11a_100000207695_100000745533 [0,2,0,0,0,0|1,0,0]=3 5383 B13R0.378 CCCCN(CC)C(=O)COC(C)C 1626a_100000207695_100000745533 [0,2,0,0,0,0|1,0,0]=3 5384 B13R0.378 CCCCN(CC)C(=O)COC(C)C 240690a_100000207695_100000745533 [0,2,0,0,0,0|1,0,0]=3 5385 B13R0.378 CCCCN(CC)C(=O)COC(C)C 34a_100000212225_100000230192 [0,2,0,0,0,0|1,0,0]=3 5386 B13R0.378 CCCCN(CC)C(=O)COC(C)C 527a_100000207695_100000745533 [0,2,0,0,0,0|1,0,0]=3 5387 B13R0.378 CCCCN(CC)C(=O)COC(F)F 11a_100000207695_200000719455 [0,2,0,0,0,0|2,0,0]=4 5388 B13R0.378 CCCCN(CC)C(=O)COC(F)F 1626a_100000207695_200000719455 [0,2,0,0,0,0|2,0,0]=4 5389 B13R0.378 CCCCN(CC)C(=O)COC(F)F 240690a_100000207695_200000719455 [0,2,0,0,0,0|2,0,0]=4 5390 B13R0.378 CCCCN(CC)C(=O)COC(F)F 527a_100000207695_200000719455 [0,2,0,0,0,0|2,0,0]=4 5391 B13R0.378 CCCCN(CC)C(=O)CSC(C)C 11a_100000207695_100000241585 [0,2,0,0,0,0|1,1,0]=4 5392 B13R0.378 CCCCN(CC)C(=O)CSC(C)C 1626a_100000207695_100000241585 [0,2,0,0,0,0|1,1,0]=4 5393 B13R0.378 CCCCN(CC)C(=O)CSC(C)C 240690a_100000207695_100000241585 [0,2,0,0,0,0|1,1,0]=4 5394 B13R0.378 CCCCN(CC)C(=O)CSC(C)C 527a_100000207695_100000241585 [0,2,0,0,0,0|1,1,0]=4 5395 B13R0.378 CCCCN(CC)C(=O)CSC(C)C 62a_100000210206_100000230192 [0,2,0,0,0,0|1,1,0]=4 5396 B13R0.378 CCCCN(CC)C(=O)NCC(C)C 2708a_100000210953_100000207695 [0,2,0,0,0,0|2,0,0]=4 5397 B13R0.378 CCCCN(CC)C(=O)NCC(C)C 273464a_100000210953_100000207695 [0,2,0,0,0,0|2,0,0]=4 5398 B13R0.378 CCCCN(CC)C(=O)NCC(C)O 273464a_100000210904_100000207695 [0,2,0,0,0,0|2,0,0]=4 5399 B13R0.378 CCCCN(CC)C(=O)NCC(F)F 273464a_100000765723_100000207695 [0,2,0,0,0,0|2,0,0]=4 5400 B13R0.378 CCN(CCOC)C(=O)COC(C)C 11a_100000731262_100000745533 [0,2,0,0,0,0|2,0,0]=4 5401 B13R0.378 CCN(CCOC)C(=O)COC(C)C 1626a_100000731262_100000745533 [0,2,0,0,0,0|2,0,0]=4 5402 B13R0.378 CCN(CCOC)C(=O)COC(C)C 240690a_100000731262_100000745533 [0,2,0,0,0,0|2,0,0]=4 5403 B13R0.378 CCN(CCOC)C(=O)COC(C)C 527a_100000731262_100000745533 [0,2,0,0,0,0|2,0,0]=4 5404 B13R0.1053 C#CCCC(=O)C(CC)CCCCC 1458a_100000697129_100000753159 [0,2,0,0,0,0|1,0,1]=4 5405 B13R0.1053 C#CCNC(=O)C(CC)CCCCC 11a_100000212058_100000697129 [0,2,0,0,0,0|1,0,1]=4 5406 B13R0.1053 C#CCNC(=O)C(CC)CCCCC 1626a_100000212058_100000697129 [0,2,0,0,0,0|1,0,1]=4 5407 B13R0.1053 C#CCNC(=O)C(CC)CCCCC 240690a_100000212058_100000697129 [0,2,0,0,0,0|1,0,1]=4 5408 B13R0.1053 C#CCNC(=O)C(CC)CCCCC 527a_100000212058_100000697129 [0,2,0,0,0,0|1,0,1]=4 5409 B13R0.1053 C/C=C/CC(=O)C(CC)CCCCC 1458a_100000697129_100102629194 [0,2,0,0,0,0|1,0,1]=4 5410 B13R0.1053 C=CCCC(=O)C(CC)CCCCC 1458a_100000697129_100000754431 [0,2,0,0,0,0|1,0,1]=4 5411 B13R0.1053 C=CCNC(=O)C(CC)CCCCC 1626a_100020586998_100000697129 [0,2,0,0,0,0|1,0,1]=4 5412 B13R0.1053 C=CCNC(=O)C(CC)CCCCC 240690a_100020586998_100000697129 [0,2,0,0,0,0|1,0,1]=4 5413 B13R0.1053 C=CCNC(=O)C(CC)CCCCC 527a_100020586998_100000697129 [0,2,0,0,0,0|1,0,1]=4 5414 B13R0.1053 CC#CCC(=O)C(CC)CCCCC 1458a_100000697129_100000748600 [0,2,0,0,0,0|1,0,1]=4 5415 B13R0.1053 CC=CCC(=O)C(CC)CCCCC 1458a_100000697129_100000070051 [0,2,0,0,0,0|1,0,1]=4 5416 B13R0.1053 CCC=CC(=O)N(CC)CCCCO 240690a_100011217355_100000212282 [0,2,0,0,0,0|2,0,0]=4 5417 B13R0.1053 CCCCC(=O)N(CC)CCCCO 240690a_100011217355_100000210183 [0,2,0,0,0,0|2,0,0]=4 5418 B13R0.1053 CCCCCC(CC)C(=O)CCC#N 1458a_100000697129_100011215226 [0,2,0,0,0,0|1,0,1]=4 5419 B13R0.1053 CCCCCC(CC)C(=O)CCCC 1458a_100000697129_100000210211 [0,2,0,0,0,0|1,0,0]=3 5420 B13R0.1053 CCCCCC(CC)C(=O)CCCF 1458a_100000697129_100011934791 [0,2,0,0,0,0|1,0,0]=3 5421 B13R0.1053 CCCCCC(CC)C(=O)CCCO 1458a_100000697129_100011215043 [0,2,0,0,0,0|1,0,0]=3 5422 B13R0.1053 CCCCCC(CC)C(=O)CCOC 1458a_100000697129_100000233755 [0,2,0,0,0,0|1,0,0]=3 5423 B13R0.1053 CCCCCC(CC)C(=O)CCSC 1458a_100000697129_100000751147 [0,2,0,0,0,0|1,0,0]=3 5424 B13R0.1053 CCCCCC(CC)C(=O)NCC#N 1626a_100000734998_100000697129 [0,2,0,0,0,0|1,0,1]=4 5425 B13R0.1053 CCCCCC(CC)C(=O)NCC#N 527a_100000734998_100000697129 [0,2,0,0,0,0|1,0,1]=4 5426 B13R0.1053 CCCCCC(CC)C(=O)NCCC 11a_100020643023_100000697129 [0,2,0,0,0,0|1,0,0]=3 5427 B13R0.1053 CCCCCC(CC)C(=O)NCCC 1626a_100020643023_100000697129 [0,2,0,0,0,0|1,0,0]=3 5428 B13R0.1053 CCCCCC(CC)C(=O)NCCC 240690a_100020643023_100000697129 [0,2,0,0,0,0|1,0,0]=3 5429 B13R0.1053 CCCCCC(CC)C(=O)NCCC 527a_100020643023_100000697129 [0,2,0,0,0,0|1,0,0]=3 5430 B13R0.1053 CCCCCC(CC)C(=O)NCCF 11a_100000724931_100000697129 [0,2,0,0,0,0|1,0,0]=3 5431 B13R0.1053 CCCCCC(CC)C(=O)NCCF 1626a_100000724931_100000697129 [0,2,0,0,0,0|1,0,0]=3 5432 B13R0.1053 CCCCCC(CC)C(=O)NCCF 240690a_100000724931_100000697129 [0,2,0,0,0,0|1,0,0]=3 5433 B13R0.1053 CCCCCC(CC)C(=O)NCCF 527a_100000724931_100000697129 [0,2,0,0,0,0|1,0,0]=3 5434 B13R0.1053 CCCCCC(CC)C(=O)NCCO 240690a_100000210304_100000697129 [0,2,0,0,0,0|1,0,0]=3 5435 B13R0.1053 CCCCCC(CC)C(=O)NCCO 527a_100000210304_100000697129 [0,2,0,0,0,0|1,0,0]=3 5436 B13R0.1053 CCCCCC(CC)C(=O)NNCC 22a_100000756455_100000697129 [0,2,0,0,0,0|1,0,0]=3 5437 B13R0.1053 CCCCNC(CC)C(=O)NCCC 2230a_100000102301_200011763335 [0,2,0,0,0,0|1,0,0]=3 5438 B13R0.1053 CCCCNC(CC)C(=O)NCCC 7a_106832991798_200011763335 [0,2,0,0,0,0|1,0,0]=3 5439 B13R0.1053 CCCCOC(CC)C(=O)NCCC 7a_100000210227_200011763335 [0,2,0,0,0,0|1,0,0]=3 5440 B13R0.1053 CCCCSC(CC)C(=O)NCCC 62a_100000210211_200011763335 [0,2,0,0,0,0|1,0,0]=3 5441 B13R0.1053 CCCCSC(CC)C(=O)NCCC 62a_200011763335_100000210210 [0,2,0,0,0,0|1,0,0]=3 5442 B13R0.1053 CCCNC(=O)C(CC)NCCCF 2230a_100015189416_200011763335 [0,2,0,0,0,0|2,0,0]=4 5443 B13R0.1053 CCCNC(=O)C(CC)NCCOC 2230a_100000209980_200011763335 [0,2,0,0,0,0|2,0,0]=4 5444 B13R0.1053 CCCNC(=O)C(CC)NCCSC 2230a_100020590264_200011763335 [0,2,0,0,0,0|2,0,0]=4 5445 B13R0.1053 CCCNC(=O)C(CC)OCCSC 7a_100000230434_200011763335 [0,2,0,0,0,0|2,0,0]=4 5446 B13R0.1053 CCCNC(=O)C(CC)SCCCF 62a_100011934791_200011763335 [0,2,0,0,0,0|2,0,0]=4 5447 B13R0.1053 CCCNC(=O)C(CC)SCCCF 62a_200011763335_100011934791 [0,2,0,0,0,0|2,0,0]=4 5448 B13R0.1053 CCCNC(=O)C(CC)SCCCO 62a_100011215043_200011763335 [0,2,0,0,0,0|2,0,0]=4 5449 B13R0.1053 CCCNC(=O)C(CC)SCCCO 62a_200011763335_100011215043 [0,2,0,0,0,0|2,0,0]=4 5450 B13R0.1053 CCCNC(=O)C(CC)SCCOC 62a_100000233755_200011763335 [0,2,0,0,0,0|2,0,0]=4 5451 B13R0.1053 CCCNC(=O)C(CC)SCCOC 62a_200011763335_100000233755 [0,2,0,0,0,0|2,0,0]=4 5452 B13R0.1053 CCCNC(=O)C(CC)SCCSC 62a_100000212216_200011763335 [0,2,0,0,0,0|2,0,0]=4 5453 B13R0.1053 CCCNC(=O)C(CC)SCCSC 62a_200011763335_100000751147 [0,2,0,0,0,0|2,0,0]=4 5454 B13R0.1053 CCCNC(=O)C(CC)SCOCC 62a_100000739092_200011763335 [0,2,0,0,0,0|2,0,0]=4 5455 B13R0.1053 CCCNC(=O)C(CC)SCOCC 62a_200011763335_100000739092 [0,2,0,0,0,0|2,0,0]=4 5456 B13R0.1053 CCCNC(=O)N(CC)CCCCO 2708a_100020643023_100011217355 [0,2,0,0,0,0|2,0,0]=4 5457 B13R0.1053 CCCNC(=O)N(CC)CCCCO 273464a_100020643023_100011217355 [0,2,0,0,0,0|2,0,0]=4 5458 B13R0.1053 CCN(CCCCO)C(=O)CCOC 240690a_100011217355_100000749529 [0,2,0,0,0,0|2,0,0]=4 5459 B13R0.1053 CCN(CCCCO)C(=O)CCSC 240690a_100011217355_100000174002 [0,2,0,0,0,0|2,0,0]=4 5460 B13R0.1053 CCN(CCCCO)C(=O)NCCF 273464a_100000724931_100011217355 [0,2,0,0,0,0|2,0,0]=4 5461 B13R0.1053 CCN(CCCCO)C(=O)NCCO 273464a_100000210304_100011217355 [0,2,0,0,0,0|2,0,0]=4 5462 B13R0.1053 CCOCC(=O)N(CC)CCCCO 240690a_100011217355_100000211967 [0,2,0,0,0,0|1,0,0]=3 5463 B13R0.1053 CCSCC(=O)N(CC)CCCCO 240690a_100011217355_100000230394 [0,2,0,0,0,0|1,1,0]=4 5464 B13R0.1281 C#CCCCC(=O)C(CC)CCCC 1458a_100000211130_100000731252 [0,2,0,0,0,0|1,0,0]=3 5465 B13R0.1281 C#CCCCC(=O)C(CC)CCCC 1458a_100000690238_200011216223 [0,2,0,0,0,0|1,0,0]=3 5466 B13R0.1281 C#CCCCC(=O)N(CC)CCCC 11a_100000207695_100000690238 [0,2,0,0,0,0|2,0,0]=4 5467 B13R0.1281 C#CCCCC(=O)N(CC)CCCC 1626a_100000207695_100000690238 [0,2,0,0,0,0|2,0,0]=4 5468 B13R0.1281 C#CCCCC(=O)N(CC)CCCC 240690a_100000207695_100000690238 [0,2,0,0,0,0|2,0,0]=4 5469 B13R0.1281 C#CCCCC(=O)N(CC)CCCC 527a_100000207695_100000690238 [0,2,0,0,0,0|2,0,0]=4 5470 B13R0.1281 C#CCCNC(=O)C(CC)CCCC 11a_100000755551_100000211130 [0,2,0,0,0,0|1,0,0]=3 5471 B13R0.1281 C#CCCNC(=O)C(CC)CCCC 1626a_100000755551_100000211130 [0,2,0,0,0,0|1,0,0]=3 5472 B13R0.1281 C#CCCNC(=O)C(CC)CCCC 240690a_100000755551_100000211130 [0,2,0,0,0,0|1,0,0]=3 5473 B13R0.1281 C#CCCNC(=O)C(CC)CCCC 527a_100000755551_100000211130 [0,2,0,0,0,0|1,0,0]=3 5474 B13R0.1281 C#CCCNC(=O)N(CC)CCCC 2708a_100000755551_100000207695 [0,2,0,0,0,0|2,0,0]=4 5475 B13R0.1281 C#CCCNC(=O)N(CC)CCCC 273464a_100000755551_100000207695 [0,2,0,0,0,0|2,0,0]=4 5476 B13R0.1281 C#CCCOC(C)C(CC)CCCC 34a_200011290779_100000688953 [0,2,0,0,0,0|1,0,1]=4 5477 B13R0.1281 C#CCCOC(C)C(CC)CCCC 7a_200011290779_100000688953 [0,2,0,0,0,0|1,0,1]=4 5478 B13R0.1281 C#CCOCC(=O)C(CC)CCCC 1458a_100011251226_200011216223 [0,2,0,0,0,0|0,0,1]=3 5479 B13R0.1281 C#CCOCC(=O)N(CC)CCCC 11a_100000207695_100011251226 [0,2,0,0,0,0|1,0,1]=4 5480 B13R0.1281 C#CCOCC(=O)N(CC)CCCC 1626a_100000207695_100011251226 [0,2,0,0,0,0|1,0,1]=4 5481 B13R0.1281 C#CCOCC(=O)N(CC)CCCC 34a_100000210247_100000230192 [0,2,0,0,0,0|1,0,1]=4 5482 B13R0.1281 C#CCOCC(=O)N(CC)CCCC 527a_100000207695_100011251226 [0,2,0,0,0,0|1,0,1]=4 5483 B13R0.1281 C/C=C/C=CC(=O)C(CC)CCCC 1458a_100000185730_200011216223 [0,2,0,0,0,0|1,0,1]=4 5484 B13R0.1281 C/C=C/COC(C)C(CC)CCCC 34a_200011290779_100102629194 [0,2,0,0,0,0|1,0,1]=4 5485 B13R0.1281 C/C=C/COC(C)C(CC)CCCC 7a_200011290779_100102629194 [0,2,0,0,0,0|1,0,1]=4 5486 B13R0.1281 C=CCCCC(=O)C(CC)CCCC 1458a_100000211130_100000757094 [0,2,0,0,0,0|1,0,0]=3 5487 B13R0.1281 C=CCCCC(=O)C(CC)CCCC 1458a_100000766728_200011216223 [0,2,0,0,0,0|1,0,0]=3 5488 B13R0.1281 C=CCCCC(=O)N(CC)CCCC 11a_100000207695_100000766728 [0,2,0,0,0,0|2,0,0]=4 5489 B13R0.1281 C=CCCCC(=O)N(CC)CCCC 1626a_100000207695_100000766728 [0,2,0,0,0,0|2,0,0]=4 5490 B13R0.1281 C=CCCCC(=O)N(CC)CCCC 240690a_100000207695_100000766728 [0,2,0,0,0,0|2,0,0]=4 5491 B13R0.1281 C=CCCCC(=O)N(CC)CCCC 527a_100000207695_100000766728 [0,2,0,0,0,0|2,0,0]=4 5492 B13R0.1281 C=CCCNC(=O)C(CC)CCCC 11a_100015191253_100000211130 [0,2,0,0,0,0|1,0,0]=3 5493 B13R0.1281 C=CCCNC(=O)C(CC)CCCC 1626a_100015191253_100000211130 [0,2,0,0,0,0|1,0,0]=3 5494 B13R0.1281 C=CCCNC(=O)C(CC)CCCC 240690a_100015191253_100000211130 [0,2,0,0,0,0|1,0,0]=3 5495 B13R0.1281 C=CCCNC(=O)C(CC)CCCC 527a_100015191253_100000211130 [0,2,0,0,0,0|1,0,0]=3 5496 B13R0.1281 C=CCCNC(=O)N(CC)CCCC 2708a_100015191253_100000207695 [0,2,0,0,0,0|2,0,0]=4 5497 B13R0.1281 C=CCCNC(=O)N(CC)CCCC 273464a_100015191253_100000207695 [0,2,0,0,0,0|2,0,0]=4 5498 B13R0.1281 C=CCCOC(C)C(CC)CCCC 34a_200011290779_100000754431 [0,2,0,0,0,0|1,0,1]=4 5499 B13R0.1281 C=CCCOC(C)C(CC)CCCC 7a_200011290779_100000754431 [0,2,0,0,0,0|1,0,1]=4 5500 B13R0.1281 C=CCNNC(=O)C(CC)CCCC 22a_100020588587_100000211130 [0,2,0,0,0,0|1,0,1]=4 5501 B13R0.1281 C=CCOCC(=O)N(CC)CCCC 34a_200000210373_100000230192 [0,2,0,0,0,0|1,0,1]=4 5502 B13R0.1281 C=CCSCC(=O)C(CC)CCCC 1458a_100000230395_200011216223 [0,2,0,0,0,0|0,1,1]=4 5503 B13R0.1281 C=COCCC(=O)C(CC)CCCC 1458a_100000211130_100000039644 [0,2,0,0,0,0|0,0,2]=4 5504 B13R0.1281 CC#CCNC(=O)C(CC)CCCC 11a_100000685387_100000211130 [0,2,0,0,0,0|1,0,0]=3 5505 B13R0.1281 CC#CCNC(=O)C(CC)CCCC 1626a_100000685387_100000211130 [0,2,0,0,0,0|1,0,0]=3 5506 B13R0.1281 CC#CCNC(=O)C(CC)CCCC 527a_100000685387_100000211130 [0,2,0,0,0,0|1,0,0]=3 5507 B13R0.1281 CC#CCNC(=O)N(CC)CCCC 273464a_100000685387_100000207695 [0,2,0,0,0,0|2,0,0]=4 5508 B13R0.1281 CC#CCOC(C)C(CC)CCCC 34a_200011290779_100000748600 [0,2,0,0,0,0|1,0,1]=4 5509 B13R0.1281 CC#CCOC(C)C(CC)CCCC 7a_200011290779_100000748600 [0,2,0,0,0,0|1,0,1]=4 5510 B13R0.1281 CC/C=C/CC(=O)C(CC)CCCC 1458a_100016274230_200011216223 [0,2,0,0,0,0|1,0,0]=3 5511 B13R0.1281 CC/C=C/CC(=O)N(CC)CCCC 11a_100000207695_100016274230 [0,2,0,0,0,0|2,0,0]=4 5512 B13R0.1281 CC/C=C/CC(=O)N(CC)CCCC 1626a_100000207695_100016274230 [0,2,0,0,0,0|2,0,0]=4 5513 B13R0.1281 CC/C=C/CC(=O)N(CC)CCCC 240690a_100000207695_100016274230 [0,2,0,0,0,0|2,0,0]=4 5514 B13R0.1281 CC/C=C/CC(=O)N(CC)CCCC 527a_100000207695_100016274230 [0,2,0,0,0,0|2,0,0]=4 5515 B13R0.1281 CC/C=C\CC(=O)C(CC)CCCC 1458a_100000211130_100103147603 [0,2,0,0,0,0|1,0,0]=3 5516 B13R0.1281 CC=CCOC(C)C(CC)CCCC 34a_200011290779_100000070051 [0,2,0,0,0,0|1,0,1]=4 5517 B13R0.1281 CC=CCOC(C)C(CC)CCCC 7a_200011290779_100000070051 [0,2,0,0,0,0|1,0,1]=4 5518 B13R0.1281 CCC#CCC(=O)C(CC)CCCC 1458a_100000211130_100009813939 [0,2,0,0,0,0|1,0,0]=3 5519 B13R0.1281 CCCC#CC(=O)C(CC)CCCC 1458a_200011218047_200011216223 [0,2,0,0,0,0|1,0,0]=3 5520 B13R0.1281 CCCC#CC(=O)N(CC)CCCC 240690a_100000207695_200011218047 [0,2,0,0,0,0|2,0,0]=4 5521 B13R0.1281 CCCC=CC(=O)C(CC)CCCC 1458a_100000212230_200011216223 [0,2,0,0,0,0|1,0,0]=3 5522 B13R0.1281 CCCC=CC(=O)N(CC)CCCC 11a_100000207695_100000212230 [0,2,0,0,0,0|2,0,0]=4 5523 B13R0.1281 CCCC=CC(=O)N(CC)CCCC 1626a_100000207695_100000212230 [0,2,0,0,0,0|2,0,0]=4 5524 B13R0.1281 CCCC=CC(=O)N(CC)CCCC 240690a_100000207695_100000212230 [0,2,0,0,0,0|2,0,0]=4 5525 B13R0.1281 CCCCC(CC)C(=O)C=CCOC 1458a_100016285016_200011216223 [0,2,0,0,0,0|1,0,0]=3 5526 B13R0.1281 CCCCC(CC)C(=O)C=COCC 1458a_100016266692_200011216223 [0,2,0,0,0,0|0,0,0]=2 5527 B13R0.1281 CCCCC(CC)C(=O)CC#CCO 1458a_100000211130_200000047223 [0,2,0,0,0,0|1,0,1]=4 5528 B13R0.1281 CCCCC(CC)C(=O)CCCC#N 1458a_100000075515_200011216223 [0,2,0,0,0,0|1,0,0]=3 5529 B13R0.1281 CCCCC(CC)C(=O)CCCC#N 1458a_100000211130_100000211468 [0,2,0,0,0,0|1,0,0]=3 5530 B13R0.1281 CCCCC(CC)C(=O)CCCCF 1458a_100000211130_100000729493 [0,2,0,0,0,0|1,0,0]=3 5531 B13R0.1281 CCCCC(CC)C(=O)CCCCO 1458a_100000211130_100000210776 [0,2,0,0,0,0|1,0,0]=3 5532 B13R0.1281 CCCCC(CC)C(=O)CCCCO 1458a_100000695505_200011216223 [0,2,0,0,0,0|1,0,0]=3 5533 B13R0.1281 CCCCC(CC)C(=O)CCCOC 1458a_100000211130_100000740836 [0,2,0,0,0,0|1,0,0]=3 5534 B13R0.1281 CCCCC(CC)C(=O)CCCOC 1458a_100000741012_200011216223 [0,2,0,0,0,0|1,0,0]=3 5535 B13R0.1281 CCCCC(CC)C(=O)CCCSC 1458a_100000173376_200011216223 [0,2,0,0,0,0|1,0,0]=3 5536 B13R0.1281 CCCCC(CC)C(=O)CCN=[N+]=[N-] 1458a_100000688302_200011216223 [0,2,0,0,0,0|2,0,0]=4 5537 B13R0.1281 CCCCC(CC)C(=O)CCOCC 1458a_100000211130_100011215890 [0,2,0,0,0,0|0,0,0]=2 5538 B13R0.1281 CCCCC(CC)C(=O)CCOCC 1458a_100000749530_200011216223 [0,2,0,0,0,0|0,0,0]=2 5539 B13R0.1281 CCCCC(CC)C(=O)CCSCC 1458a_100000211130_100000757381 [0,2,0,0,0,0|0,1,0]=3 5540 B13R0.1281 CCCCC(CC)C(=O)CCSCC 1458a_100000230768_200011216223 [0,2,0,0,0,0|0,1,0]=3 5541 B13R0.1281 CCCCC(CC)C(=O)COCCC 1458a_100000745993_200011216223 [0,2,0,0,0,0|0,0,0]=2 5542 B13R0.1281 CCCCC(CC)C(=O)COCCO 1458a_100000708028_200011216223 [0,2,0,0,0,0|0,0,0]=2 5543 B13R0.1281 CCCCC(CC)C(=O)CSCC#N 1458a_100000150266_200011216223 [0,2,0,0,0,0|0,1,1]=4 5544 B13R0.1281 CCCCC(CC)C(=O)CSCCC 1458a_100000217233_200011216223 [0,2,0,0,0,0|0,1,0]=3 5545 B13R0.1281 CCCCC(CC)C(=O)NCCC#N 11a_100000720768_100000211130 [0,2,0,0,0,0|1,0,0]=3 5546 B13R0.1281 CCCCC(CC)C(=O)NCCC#N 1626a_100000720768_100000211130 [0,2,0,0,0,0|1,0,0]=3 5547 B13R0.1281 CCCCC(CC)C(=O)NCCC#N 240690a_100000720768_100000211130 [0,2,0,0,0,0|1,0,0]=3 5548 B13R0.1281 CCCCC(CC)C(=O)NCCC#N 527a_100000720768_100000211130 [0,2,0,0,0,0|1,0,0]=3 5549 B13R0.1281 CCCCC(CC)C(=O)NCCCF 11a_100015189416_100000211130 [0,2,0,0,0,0|1,0,0]=3 5550 B13R0.1281 CCCCC(CC)C(=O)NCCCF 1626a_100015189416_100000211130 [0,2,0,0,0,0|1,0,0]=3 5551 B13R0.1281 CCCCC(CC)C(=O)NCCCF 240690a_100015189416_100000211130 [0,2,0,0,0,0|1,0,0]=3 5552 B13R0.1281 CCCCC(CC)C(=O)NCCCF 527a_100015189416_100000211130 [0,2,0,0,0,0|1,0,0]=3 5553 B13R0.1281 CCCCC(CC)C(=O)NCCCO 240690a_100000182051_100000211130 [0,2,0,0,0,0|1,0,0]=3 5554 B13R0.1281 CCCCC(CC)C(=O)NCCCO 527a_100000182051_100000211130 [0,2,0,0,0,0|1,0,0]=3 5555 B13R0.1281 CCCCC(CC)C(=O)NCCOC 1626a_100000209980_100000211130 [0,2,0,0,0,0|1,0,0]=3 5556 B13R0.1281 CCCCC(CC)C(=O)NCCOC 240690a_100000209980_100000211130 [0,2,0,0,0,0|1,0,0]=3 5557 B13R0.1281 CCCCC(CC)C(=O)NCCOC 527a_100000209980_100000211130 [0,2,0,0,0,0|1,0,0]=3 5558 B13R0.1281 CCCCC(CC)C(=O)NCCSC 11a_100020590264_100000211130 [0,2,0,0,0,0|1,0,0]=3 5559 B13R0.1281 CCCCC(CC)C(=O)NCCSC 1626a_100020590264_100000211130 [0,2,0,0,0,0|1,0,0]=3 5560 B13R0.1281 CCCCC(CC)C(=O)NCCSC 240690a_100020590264_100000211130 [0,2,0,0,0,0|1,0,0]=3 5561 B13R0.1281 CCCCC(CC)C(=O)NCCSC 527a_100020590264_100000211130 [0,2,0,0,0,0|1,0,0]=3 5562 B13R0.1281 CCCCC(CC)C(=O)NNCCC 22a_100000740057_100000211130 [0,2,0,0,0,0|1,0,0]=3 5563 B13R0.1281 CCCCC(CC)C(=O)NNCCO 22a_100000210001_100000211130 [0,2,0,0,0,0|1,0,0]=3 5564 B13R0.1281 CCCCC(CC)C(C)OCCC#N 7a_200011290779_100000184422 [0,2,0,0,0,0|1,0,1]=4 5565 B13R0.1281 CCCCC(CC)C(C)OCCCF 34a_200011290779_100011934791 [0,2,0,0,0,0|1,0,1]=4 5566 B13R0.1281 CCCCC(CC)C(C)OCCCF 7a_200011290779_100011934791 [0,2,0,0,0,0|1,0,1]=4 5567 B13R0.1281 CCCCC(CC)C(C)OCCCO 34a_200011290779_100000230001 [0,2,0,0,0,0|1,0,1]=4 5568 B13R0.1281 CCCCC(CC)C(C)OCCCO 7a_200011290779_100011215043 [0,2,0,0,0,0|1,0,1]=4 5569 B13R0.1281 CCCCC(CC)C(C)OCCOC 34a_200011290779_100011201679 [0,2,0,0,0,0|1,0,1]=4 5570 B13R0.1281 CCCCC(CC)C(C)OCCOC 7a_200011290779_100000233755 [0,2,0,0,0,0|1,0,1]=4 5571 B13R0.1281 CCCCC(CC)C(C)OCCSC 34a_200011290779_100000212216 [0,2,0,0,0,0|1,0,1]=4 5572 B13R0.1281 CCCCC(CC)C(C)OCCSC 7a_200011290779_100000212216 [0,2,0,0,0,0|1,0,1]=4 5573 B13R0.1281 CCCCCC(=O)C(CC)CCCC 1458a_100000211130_100000210326 [0,2,0,0,0,0|1,0,0]=3 5574 B13R0.1281 CCCCCC(=O)C(CC)CCCC 1458a_100000212188_200011216223 [0,2,0,0,0,0|1,0,0]=3 5575 B13R0.1281 CCCCCC(=O)N(CC)CCCC 11a_100000207695_100000212188 [0,2,0,0,0,0|2,0,0]=4 5576 B13R0.1281 CCCCCC(=O)N(CC)CCCC 1626a_100000207695_100000212188 [0,2,0,0,0,0|2,0,0]=4 5577 B13R0.1281 CCCCCC(=O)N(CC)CCCC 240690a_100000207695_100000212188 [0,2,0,0,0,0|2,0,0]=4 5578 B13R0.1281 CCCCCC(=O)N(CC)CCCC 527a_100000207695_100000212188 [0,2,0,0,0,0|2,0,0]=4 5579 B13R0.1281 CCCCN(CC)C(=O)C=CCOC 11a_100000207695_100016285016 [0,2,0,0,0,0|2,0,0]=4 5580 B13R0.1281 CCCCN(CC)C(=O)C=CCOC 1626a_100000207695_100016285016 [0,2,0,0,0,0|2,0,0]=4 5581 B13R0.1281 CCCCN(CC)C(=O)C=CCOC 240690a_100000207695_100016285016 [0,2,0,0,0,0|2,0,0]=4 5582 B13R0.1281 CCCCN(CC)C(=O)C=COCC 11a_100000207695_100016266692 [0,2,0,0,0,0|1,0,0]=3 5583 B13R0.1281 CCCCN(CC)C(=O)C=COCC 1626a_100000207695_100016266692 [0,2,0,0,0,0|1,0,0]=3 5584 B13R0.1281 CCCCN(CC)C(=O)C=COCC 240690a_100000207695_100016266692 [0,2,0,0,0,0|1,0,0]=3 5585 B13R0.1281 CCCCN(CC)C(=O)CCCC#N 11a_100000207695_100000075515 [0,2,0,0,0,0|2,0,0]=4 5586 B13R0.1281 CCCCN(CC)C(=O)CCCC#N 1626a_100000207695_100000075515 [0,2,0,0,0,0|2,0,0]=4 5587 B13R0.1281 CCCCN(CC)C(=O)CCCC#N 240690a_100000207695_100000075515 [0,2,0,0,0,0|2,0,0]=4 5588 B13R0.1281 CCCCN(CC)C(=O)CCCC#N 527a_100000207695_100000075515 [0,2,0,0,0,0|2,0,0]=4 5589 B13R0.1281 CCCCN(CC)C(=O)CCCCO 1626a_100000207695_100000695505 [0,2,0,0,0,0|2,0,0]=4 5590 B13R0.1281 CCCCN(CC)C(=O)CCCOC 11a_100000207695_100000741012 [0,2,0,0,0,0|2,0,0]=4 5591 B13R0.1281 CCCCN(CC)C(=O)CCCOC 1626a_100000207695_100000741012 [0,2,0,0,0,0|2,0,0]=4 5592 B13R0.1281 CCCCN(CC)C(=O)CCCOC 240690a_100000207695_100000741012 [0,2,0,0,0,0|2,0,0]=4 5593 B13R0.1281 CCCCN(CC)C(=O)CCCOC 527a_100000207695_100000741012 [0,2,0,0,0,0|2,0,0]=4 5594 B13R0.1281 CCCCN(CC)C(=O)CCCSC 11a_100000207695_100000173376 [0,2,0,0,0,0|2,0,0]=4 5595 B13R0.1281 CCCCN(CC)C(=O)CCCSC 1626a_100000207695_100000173376 [0,2,0,0,0,0|2,0,0]=4 5596 B13R0.1281 CCCCN(CC)C(=O)CCCSC 240690a_100000207695_100000173376 [0,2,0,0,0,0|2,0,0]=4 5597 B13R0.1281 CCCCN(CC)C(=O)CCCSC 527a_100000207695_100000173376 [0,2,0,0,0,0|2,0,0]=4 5598 B13R0.1281 CCCCN(CC)C(=O)CCOCC 11a_100000207695_100000749530 [0,2,0,0,0,0|1,0,0]=3 5599 B13R0.1281 CCCCN(CC)C(=O)CCOCC 1626a_100000207695_100000749530 [0,2,0,0,0,0|1,0,0]=3 5600 B13R0.1281 CCCCN(CC)C(=O)CCOCC 240690a_100000207695_100000749530 [0,2,0,0,0,0|1,0,0]=3 5601 B13R0.1281 CCCCN(CC)C(=O)CCOCC 527a_100000207695_100000749530 [0,2,0,0,0,0|1,0,0]=3 5602 B13R0.1281 CCCCN(CC)C(=O)CCSCC 11a_100000207695_100000230768 [0,2,0,0,0,0|1,1,0]=4 5603 B13R0.1281 CCCCN(CC)C(=O)CCSCC 1626a_100000207695_100000230768 [0,2,0,0,0,0|1,1,0]=4 5604 B13R0.1281 CCCCN(CC)C(=O)CCSCC 240690a_100000207695_100000230768 [0,2,0,0,0,0|1,1,0]=4 5605 B13R0.1281 CCCCN(CC)C(=O)CCSCC 527a_100000207695_100000230768 [0,2,0,0,0,0|1,1,0]=4 5606 B13R0.1281 CCCCN(CC)C(=O)CNCCF 34a_100000724931_100000230192 [0,2,0,0,0,0|2,0,0]=4 5607 B13R0.1281 CCCCN(CC)C(=O)CNCCO 2230a_100016997473_100000230192 [0,2,0,0,0,0|2,0,0]=4 5608 B13R0.1281 CCCCN(CC)C(=O)CNCCO 34a_100016990907_100000230192 [0,2,0,0,0,0|2,0,0]=4 5609 B13R0.1281 CCCCN(CC)C(=O)COCCBr 34a_100000211926_100000230192 [0,2,0,0,0,0|1,0,0]=3 5610 B13R0.1281 CCCCN(CC)C(=O)COCCC 11a_100000207695_100000745993 [0,2,0,0,0,0|1,0,0]=3 5611 B13R0.1281 CCCCN(CC)C(=O)COCCC 1626a_100000207695_100000745993 [0,2,0,0,0,0|1,0,0]=3 5612 B13R0.1281 CCCCN(CC)C(=O)COCCC 240690a_100000207695_100000745993 [0,2,0,0,0,0|1,0,0]=3 5613 B13R0.1281 CCCCN(CC)C(=O)COCCC 34a_100000210258_100000230192 [0,2,0,0,0,0|1,0,0]=3 5614 B13R0.1281 CCCCN(CC)C(=O)COCCC 527a_100000207695_100000745993 [0,2,0,0,0,0|1,0,0]=3 5615 B13R0.1281 CCCCN(CC)C(=O)COCCN 34a_100000210304_100000230192 [0,2,0,0,0,0|1,0,0]=3 5616 B13R0.1281 CCCCN(CC)C(=O)COCCO 1626a_100000207695_100000708028 [0,2,0,0,0,0|1,0,0]=3 5617 B13R0.1281 CCCCN(CC)C(=O)COCCO 240690a_100000207695_100000708028 [0,2,0,0,0,0|1,0,0]=3 5618 B13R0.1281 CCCCN(CC)C(=O)CSCCC 11a_100000207695_100000217233 [0,2,0,0,0,0|1,1,0]=4 5619 B13R0.1281 CCCCN(CC)C(=O)CSCCC 1626a_100000207695_100000217233 [0,2,0,0,0,0|1,1,0]=4 5620 B13R0.1281 CCCCN(CC)C(=O)CSCCC 240690a_100000207695_100000217233 [0,2,0,0,0,0|1,1,0]=4 5621 B13R0.1281 CCCCN(CC)C(=O)CSCCC 527a_100000207695_100000217233 [0,2,0,0,0,0|1,1,0]=4 5622 B13R0.1281 CCCCN(CC)C(=O)CSCCC 62a_100000210303_100000230192 [0,2,0,0,0,0|1,1,0]=4 5623 B13R0.1281 CCCCN(CC)C(=O)CSCCF 62a_100011217306_100000230192 [0,2,0,0,0,0|1,1,0]=4 5624 B13R0.1281 CCCCN(CC)C(=O)CSCCO 62a_100000211926_100000230192 [0,2,0,0,0,0|1,1,0]=4 5625 B13R0.1281 CCCCN(CC)C(=O)CSCOC 62a_100000766300_100000230192 [0,2,0,0,0,0|1,1,0]=4 5626 B13R0.1281 CCCCN(CC)C(=O)CSCSC 62a_100011218213_100000230192 [0,2,0,0,0,0|1,1,0]=4 5627 B13R0.1281 CCCCN(CC)C(=O)NCCC#N 2708a_100000720768_100000207695 [0,2,0,0,0,0|2,0,0]=4 5628 B13R0.1281 CCCCN(CC)C(=O)NCCC#N 273464a_100000720768_100000207695 [0,2,0,0,0,0|2,0,0]=4 5629 B13R0.1281 CCCCN(CC)C(=O)NCCCF 2708a_100015189416_100000207695 [0,2,0,0,0,0|2,0,0]=4 5630 B13R0.1281 CCCCN(CC)C(=O)NCCCF 273464a_100015189416_100000207695 [0,2,0,0,0,0|2,0,0]=4 5631 B13R0.1281 CCCCN(CC)C(=O)NCCCO 273464a_100000182051_100000207695 [0,2,0,0,0,0|2,0,0]=4 5632 B13R0.1281 CCCCN(CC)C(=O)NCCOC 273464a_100000209980_100000207695 [0,2,0,0,0,0|2,0,0]=4 5633 B13R0.1281 CCCCN(CC)C(=O)NCCSC 2708a_100020590264_100000207695 [0,2,0,0,0,0|2,0,0]=4 5634 B13R0.1281 CCCCN(CC)C(=O)NCCSC 273464a_100020590264_100000207695 [0,2,0,0,0,0|2,0,0]=4 5635 B13R0.1281 CCCCNC(=O)C(CC)CCCC 11a_100000102301_100000211130 [0,2,0,0,0,0|1,0,0]=3 5636 B13R0.1281 CCCCNC(=O)C(CC)CCCC 1626a_100000102301_100000211130 [0,2,0,0,0,0|1,0,0]=3 5637 B13R0.1281 CCCCNC(=O)C(CC)CCCC 240690a_100000102301_100000211130 [0,2,0,0,0,0|1,0,0]=3 5638 B13R0.1281 CCCCNC(=O)C(CC)CCCC 527a_100000102301_100000211130 [0,2,0,0,0,0|1,0,0]=3 5639 B13R0.1281 CCCCNC(=O)C(CC)SCCC 62a_100000210303_200011763471 [0,2,0,0,0,0|2,0,0]=4 5640 B13R0.1281 CCCCNC(=O)C(CC)SCCC 62a_200011763471_100000210303 [0,2,0,0,0,0|2,0,0]=4 5641 B13R0.1281 CCCCNC(=O)N(CC)CCCC 2708a_100000102301_100000207695 [0,2,0,0,0,0|2,0,0]=4 5642 B13R0.1281 CCCCNC(=O)N(CC)CCCC 273464a_100000102301_100000207695 [0,2,0,0,0,0|2,0,0]=4 5643 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCC 34a_100020628826_100000210303 [0,2,0,0,0,0|1,0,0]=3 5644 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCC 7a_100020628826_100000210303 [0,2,0,0,0,0|1,0,0]=3 5645 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCF 34a_100020628826_100011217306 [0,2,0,0,0,0|2,0,0]=4 5646 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCF 7a_100020628826_100011217306 [0,2,0,0,0,0|2,0,0]=4 5647 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCO 34a_100020628826_100000211926 [0,2,0,0,0,0|2,0,0]=4 5648 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCO 7a_100020628826_100000211926 [0,2,0,0,0,0|2,0,0]=4 5649 B13R0.1281 CCCCOC(=O)[C@H](CC)OCSC 34a_100020628826_100011218213 [0,2,0,0,0,0|2,0,0]=4 5650 B13R0.1281 CCCCOC(C)C(CC)CCCC 34a_200011290779_100000210210 [0,2,0,0,0,0|1,0,1]=4 5651 B13R0.1281 CCCCOC(C)C(CC)CCCC 7a_200011290779_100000210211 [0,2,0,0,0,0|1,0,1]=4 5652 B13R0.1281 CCCOCC(=O)N(CC)CCOC 11a_100000731262_100000745993 [0,2,0,0,0,0|2,0,0]=4 5653 B13R0.1281 CCCOCC(=O)N(CC)CCOC 1626a_100000731262_100000745993 [0,2,0,0,0,0|2,0,0]=4 5654 B13R0.1281 CCCOCC(=O)N(CC)CCOC 240690a_100000731262_100000745993 [0,2,0,0,0,0|2,0,0]=4 5655 B13R0.1281 CCCOCC(=O)N(CC)CCOC 527a_100000731262_100000745993 [0,2,0,0,0,0|2,0,0]=4 5656 B13R0.1281 CCCSC(CC)C(=O)NCCOC 62a_100000210303_200011763345 [0,2,0,0,0,0|2,0,0]=4 5657 B13R0.1281 CCCSC(CC)C(=O)NCCOC 62a_200011763345_100000210303 [0,2,0,0,0,0|2,0,0]=4 5658 B13R0.1281 CCN(CCOC)C(=O)COCCO 1626a_100000731262_100000708028 [0,2,0,0,0,0|2,0,0]=4 5659 B13R0.1281 CCN(CCOC)C(=O)COCCO 240690a_100000731262_100000708028 [0,2,0,0,0,0|2,0,0]=4 5660 B13R0.1281 CCOC=CC(=O)N(CC)CCOC 11a_100000731262_100016266692 [0,2,0,0,0,0|2,0,0]=4 5661 B13R0.1281 CCOC=CC(=O)N(CC)CCOC 1626a_100000731262_100016266692 [0,2,0,0,0,0|2,0,0]=4 5662 B13R0.1281 CCOC=CC(=O)N(CC)CCOC 240690a_100000731262_100016266692 [0,2,0,0,0,0|2,0,0]=4 5663 B13R0.1281 CCOCCC(=O)N(CC)CCOC 11a_100000731262_100000749530 [0,2,0,0,0,0|2,0,0]=4 5664 B13R0.1281 CCOCCC(=O)N(CC)CCOC 1626a_100000731262_100000749530 [0,2,0,0,0,0|2,0,0]=4 5665 B13R0.1281 CCOCCC(=O)N(CC)CCOC 240690a_100000731262_100000749530 [0,2,0,0,0,0|2,0,0]=4 5666 B13R0.1281 CCOCCC(=O)N(CC)CCOC 527a_100000731262_100000749530 [0,2,0,0,0,0|2,0,0]=4 5667 B13R0.59 C#CCCCNC(CC)C(=O)OCC 34a_100000718082_100000212269 [0,2,0,0,0,0|0,0,1]=3 5668 B13R0.59 C#CCCCNC(SC)C(=O)OCC 34a_100000718082_100009893047 [0,2,0,0,0,0|1,0,1]=4 5669 B13R0.59 C#CCCCOC(CC)C(=O)OCC 34a_100000215630_100000212269 [0,2,0,0,0,0|0,0,1]=3 5670 B13R0.59 C#CCCCOC(CC)C(=O)OCC 34a_100011216719_100000695029 [0,2,0,0,0,0|0,0,1]=3 5671 B13R0.59 C#CCCCOC(CC)C(=O)OCC 7a_100000215630_100000212269 [0,2,0,0,0,0|0,0,1]=3 5672 B13R0.59 C#CCCCOC(CC)C(=O)OCC 7a_100011216719_100011215417 [0,2,0,0,0,0|0,0,1]=3 5673 B13R0.59 C#CCCCOC(SC)C(=O)OCC 34a_100000215630_100009893047 [0,2,0,0,0,0|1,0,1]=4 5674 B13R0.59 C#CCCCSC(CC)C(=O)OCC 62a_100000212269_100011215417 [0,2,0,0,0,0|0,0,1]=3 5675 B13R0.59 C#CCCCSC(CC)C(=O)OCC 62a_100011215417_100000212269 [0,2,0,0,0,0|0,0,1]=3 5676 B13R0.59 C#CCCCSC(SC)C(=O)OCC 62a_100009893047_100011215417 [0,2,0,0,0,0|1,0,1]=4 5677 B13R0.59 C#CCCCSC(SC)C(=O)OCC 62a_100011215417_100009893047 [0,2,0,0,0,0|1,0,1]=4 5678 B13R0.59 C/C=C/CCOC(CC)C(=O)OCC 34a_100016278192_100000212269 [0,2,0,0,0,0|0,0,1]=3 5679 B13R0.59 C/C=C/CCOC(SC)C(=O)OCC 34a_100016278192_100009893047 [0,2,0,0,0,0|1,0,1]=4 5680 B13R0.59 C=CCCCNC(CC)C(=O)OCC 2230a_100000700776_100000212269 [0,2,0,0,0,0|0,0,1]=3 5681 B13R0.59 C=CCCCNC(CC)C(=O)OCC 34a_100000700776_100000212269 [0,2,0,0,0,0|0,0,1]=3 5682 B13R0.59 C=CCCCNC(SC)C(=O)OCC 34a_100000700776_100009893047 [0,2,0,0,0,0|1,0,1]=4 5683 B13R0.59 C=CCCCOC(CC)C(=O)OCC 34a_100000758997_100000212269 [0,2,0,0,0,0|0,0,1]=3 5684 B13R0.59 C=CCCCOC(CC)C(=O)OCC 34a_100011216719_100000757094 [0,2,0,0,0,0|0,0,1]=3 5685 B13R0.59 C=CCCCOC(CC)C(=O)OCC 7a_100000758997_100000212269 [0,2,0,0,0,0|0,0,1]=3 5686 B13R0.59 C=CCCCOC(CC)C(=O)OCC 7a_100011216719_100000757094 [0,2,0,0,0,0|0,0,1]=3 5687 B13R0.59 C=CCCCOC(SC)C(=O)OCC 34a_100000758997_100009893047 [0,2,0,0,0,0|1,0,1]=4 5688 B13R0.59 C=CCCCSC(CC)C(=O)OCC 62a_100000212269_100000757094 [0,2,0,0,0,0|0,0,1]=3 5689 B13R0.59 C=CCCCSC(CC)C(=O)OCC 62a_100011713584_100000212269 [0,2,0,0,0,0|0,0,1]=3 5690 B13R0.59 C=CCCCSC(SC)C(=O)OCC 62a_100009893047_100000757094 [0,2,0,0,0,0|1,0,1]=4 5691 B13R0.59 C=CCCCSC(SC)C(=O)OCC 62a_100011713584_100009893047 [0,2,0,0,0,0|1,0,1]=4 5692 B13R0.59 C=COCCOC(CC)C(=O)OCC 34a_100000033082_100000212269 [0,2,0,0,0,0|0,0,2]=4 5693 B13R0.59 C=COCCOC(CC)C(=O)OCC 34a_100011216719_100000039644 [0,2,0,0,0,0|0,0,2]=4 5694 B13R0.59 C=COCCOC(CC)C(=O)OCC 7a_100011216719_100000039644 [0,2,0,0,0,0|0,0,2]=4 5695 B13R0.59 C=COCCSC(CC)C(=O)OCC 62a_100000039644_100000212269 [0,2,0,0,0,0|0,0,2]=4 5696 B13R0.59 C=COCCSC(CC)C(=O)OCC 62a_100000212269_100000039644 [0,2,0,0,0,0|0,0,2]=4 5697 B13R0.59 CC#CCCOC(CC)C(=O)OCC 34a_100000750427_100000212269 [0,2,0,0,0,0|0,0,1]=3 5698 B13R0.59 CC#CCCOC(SC)C(=O)OCC 34a_100000750427_100009893047 [0,2,0,0,0,0|1,0,1]=4 5699 B13R0.59 CC/C=C\COC(CC)C(=O)OCC 34a_100011216719_100103147603 [0,2,0,0,0,0|0,0,1]=3 5700 B13R0.59 CC/C=C\COC(CC)C(=O)OCC 34a_100016268518_100000212269 [0,2,0,0,0,0|0,0,1]=3 5701 B13R0.59 CC/C=C\COC(CC)C(=O)OCC 7a_100011216719_100103147603 [0,2,0,0,0,0|0,0,1]=3 5702 B13R0.59 CC/C=C\COC(SC)C(=O)OCC 34a_100016268518_100009893047 [0,2,0,0,0,0|1,0,1]=4 5703 B13R0.59 CC/C=C\CSC(CC)C(=O)OCC 62a_100000212269_100103147603 [0,2,0,0,0,0|0,0,1]=3 5704 B13R0.59 CC/C=C\CSC(CC)C(=O)OCC 62a_100103147603_100000212269 [0,2,0,0,0,0|0,0,1]=3 5705 B13R0.59 CC/C=C\CSC(SC)C(=O)OCC 62a_100009893047_100103147603 [0,2,0,0,0,0|1,0,1]=4 5706 B13R0.59 CC/C=C\CSC(SC)C(=O)OCC 62a_100103147603_100009893047 [0,2,0,0,0,0|1,0,1]=4 5707 B13R0.59 CCC#CCOC(CC)C(=O)OCC 34a_100000032950_100000212269 [0,2,0,0,0,0|0,0,1]=3 5708 B13R0.59 CCC#CCOC(CC)C(=O)OCC 34a_100011216719_100009813939 [0,2,0,0,0,0|0,0,1]=3 5709 B13R0.59 CCC#CCOC(CC)C(=O)OCC 7a_100011216719_100009813939 [0,2,0,0,0,0|0,0,1]=3 5710 B13R0.59 CCC#CCOC(SC)C(=O)OCC 34a_100000032950_100009893047 [0,2,0,0,0,0|1,0,1]=4 5711 B13R0.59 CCC#CCSC(CC)C(=O)OCC 62a_100000212269_100009813939 [0,2,0,0,0,0|0,0,1]=3 5712 B13R0.59 CCC#CCSC(CC)C(=O)OCC 62a_100009813939_100000212269 [0,2,0,0,0,0|0,0,1]=3 5713 B13R0.59 CCC#CCSC(SC)C(=O)OCC 62a_100009813939_100009893047 [0,2,0,0,0,0|1,0,1]=4 5714 B13R0.59 CCC#CCSC(SC)C(=O)OCC 62a_100009893047_100009813939 [0,2,0,0,0,0|1,0,1]=4 5715 B13R0.59 CCCCCCC(NC)C(=O)OCC 2230a_106832991635_200009813390 [0,2,0,0,0,0|1,0,0]=3 5716 B13R0.59 CCCCCCC(NC)C(=O)OCC 34a_100102657272_200009813390 [0,2,0,0,0,0|1,0,0]=3 5717 B13R0.59 CCCCCCC(NC)C(=O)OCC 7a_106832991635_200009813390 [0,2,0,0,0,0|1,0,0]=3 5718 B13R0.59 CCCCCCC(OC)C(=O)OCC 34a_100138415774_200009813390 [0,2,0,0,0,0|1,0,0]=3 5719 B13R0.59 CCCCCCC(SC)C(=O)OCC 62a_200000210301_200009813390 [0,2,0,0,0,0|1,0,0]=3 5720 B13R0.59 CCCCCCC(SC)C(=O)OCC 62a_200009813390_200000210301 [0,2,0,0,0,0|1,0,0]=3 5721 B13R0.59 CCCCCCC(S[13CH3])C(=O)OCC 62a_200009813390_200025704644 [0,2,0,0,0,0|1,0,0]=3 5722 B13R0.59 CCCCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813390 [0,2,0,0,0,0|1,0,0]=3 5723 B13R0.59 CCCCCNC(CC)C(=O)OCC 2230a_100000209983_100000212269 [0,2,0,0,0,0|0,0,0]=2 5724 B13R0.59 CCCCCOC(CC)C(=O)OCC 34a_100000210253_100000212269 [0,2,0,0,0,0|0,0,0]=2 5725 B13R0.59 CCCCCOC(CC)C(=O)OCC 34a_100011216719_100000718602 [0,2,0,0,0,0|0,0,0]=2 5726 B13R0.59 CCCCCOC(CC)C(=O)OCC 7a_100000210253_100000212269 [0,2,0,0,0,0|0,0,0]=2 5727 B13R0.59 CCCCCOC(CC)C(=O)OCC 7a_100011216719_100000210326 [0,2,0,0,0,0|0,0,0]=2 5728 B13R0.59 CCCCCOC(SC)C(=O)OCC 34a_100000210253_100009893047 [0,2,0,0,0,0|1,0,0]=3 5729 B13R0.59 CCCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210326 [0,2,0,0,0,0|1,0,1]=4 5730 B13R0.59 CCCCCSC(C=O)C(=O)OCC 62a_100000210326_100000053139 [0,2,0,0,0,0|1,0,1]=4 5731 B13R0.59 CCCCCSC(CC)C(=O)OCC 62a_100000210326_100000212269 [0,2,0,0,0,0|0,0,0]=2 5732 B13R0.59 CCCCCSC(CC)C(=O)OCC 62a_100000212269_100000210326 [0,2,0,0,0,0|0,0,0]=2 5733 B13R0.59 CCCCCSC(SC)C(=O)OCC 62a_100000210326_100009893047 [0,2,0,0,0,0|1,0,0]=3 5734 B13R0.59 CCCCCSC(SC)C(=O)OCC 62a_100009893047_100000210326 [0,2,0,0,0,0|1,0,0]=3 5735 B13R0.59 CCCCNN=C(CC)C(=O)OCC 4a_100025702795_100000211510 [0,2,0,0,0,0|0,0,1]=3 5736 B13R0.59 CCOC(=O)C(C=O)SCCCCF 62a_100000053139_100000729493 [0,2,0,0,0,0|1,0,1]=4 5737 B13R0.59 CCOC(=O)C(C=O)SCCCCF 62a_100000729493_100000053139 [0,2,0,0,0,0|1,0,1]=4 5738 B13R0.59 CCOC(=O)C(C=O)SCCCCO 62a_100000053139_100000210776 [0,2,0,0,0,0|1,0,1]=4 5739 B13R0.59 CCOC(=O)C(C=O)SCCCCO 62a_100000210776_100000053139 [0,2,0,0,0,0|1,0,1]=4 5740 B13R0.59 CCOC(=O)C(C=O)SCCCOC 62a_100000053139_100000709357 [0,2,0,0,0,0|1,0,1]=4 5741 B13R0.59 CCOC(=O)C(C=O)SCCCOC 62a_100000709357_100000053139 [0,2,0,0,0,0|1,0,1]=4 5742 B13R0.59 CCOC(=O)C(C=O)SCCSCC 62a_100000053139_100000757381 [0,2,0,0,0,0|1,0,1]=4 5743 B13R0.59 CCOC(=O)C(C=O)SCCSCC 62a_100000757381_100000053139 [0,2,0,0,0,0|1,0,1]=4 5744 B13R0.59 CCOC(=O)C(CC)NCCCCO 2230a_100000750430_100000212269 [0,2,0,0,0,0|0,0,0]=2 5745 B13R0.59 CCOC(=O)C(CC)NCCCCO 34a_100000750430_100000212269 [0,2,0,0,0,0|0,0,0]=2 5746 B13R0.59 CCOC(=O)C(CC)NCCCOC 34a_100150723488_100000212269 [0,2,0,0,0,0|0,0,0]=2 5747 B13R0.59 CCOC(=O)C(CC)NCCCSC 2230a_100000749238_100000212269 [0,2,0,0,0,0|0,0,0]=2 5748 B13R0.59 CCOC(=O)C(CC)NCCSCC 2230a_100000106463_100000212269 [0,2,0,0,0,0|0,0,0]=2 5749 B13R0.59 CCOC(=O)C(CC)OCC#CCCl 34a_200000047223_100000212269 [0,2,0,0,0,0|0,0,2]=4 5750 B13R0.59 CCOC(=O)C(CC)OCC#CCO 34a_100011216719_200000047223 [0,2,0,0,0,0|0,0,2]=4 5751 B13R0.59 CCOC(=O)C(CC)OCC#CCO 7a_100011216719_200000047223 [0,2,0,0,0,0|0,0,2]=4 5752 B13R0.59 CCOC(=O)C(CC)OCCCC#N 7a_100011216719_100000687738 [0,2,0,0,0,0|0,0,1]=3 5753 B13R0.59 CCOC(=O)C(CC)OCCCC=O 7a_100011216719_200011292268 [0,2,0,0,0,0|0,0,1]=3 5754 B13R0.59 CCOC(=O)C(CC)OCCCCBr 34a_100011216708_100000212269 [0,2,0,0,0,0|0,0,0]=2 5755 B13R0.59 CCOC(=O)C(CC)OCCCCCl 34a_100000210776_100000212269 [0,2,0,0,0,0|0,0,0]=2 5756 B13R0.59 CCOC(=O)C(CC)OCCCCCl 7a_100000210776_100000212269 [0,2,0,0,0,0|0,0,0]=2 5757 B13R0.59 CCOC(=O)C(CC)OCCCCF 34a_100011216719_100000729493 [0,2,0,0,0,0|0,0,0]=2 5758 B13R0.59 CCOC(=O)C(CC)OCCCCF 34a_100011995726_100000212269 [0,2,0,0,0,0|0,0,0]=2 5759 B13R0.59 CCOC(=O)C(CC)OCCCCF 7a_100011216719_100000729493 [0,2,0,0,0,0|0,0,0]=2 5760 B13R0.59 CCOC(=O)C(CC)OCCCCF 7a_100011995726_100000212269 [0,2,0,0,0,0|0,0,0]=2 5761 B13R0.59 CCOC(=O)C(CC)OCCCCI 34a_200012148704_100000212269 [0,2,0,0,0,0|0,0,0]=2 5762 B13R0.59 CCOC(=O)C(CC)OCCCCN 34a_100000750430_100000212269 [0,2,0,0,0,0|0,0,0]=2 5763 B13R0.59 CCOC(=O)C(CC)OCCCCO 34a_100011216719_100011216708 [0,2,0,0,0,0|0,0,0]=2 5764 B13R0.59 CCOC(=O)C(CC)OCCCCO 7a_100011216719_100000210776 [0,2,0,0,0,0|0,0,0]=2 5765 B13R0.59 CCOC(=O)C(CC)OCCCNC 34a_100000213112_100000212269 [0,2,0,0,0,0|0,0,0]=2 5766 B13R0.59 CCOC(=O)C(CC)OCCCOC 34a_100000740835_100000212269 [0,2,0,0,0,0|0,0,0]=2 5767 B13R0.59 CCOC(=O)C(CC)OCCCOC 34a_100011216719_100000740836 [0,2,0,0,0,0|0,0,0]=2 5768 B13R0.59 CCOC(=O)C(CC)OCCCOC 7a_100011216719_100000740836 [0,2,0,0,0,0|0,0,0]=2 5769 B13R0.59 CCOC(=O)C(CC)OCCCSC 34a_100000690336_100000212269 [0,2,0,0,0,0|0,0,0]=2 5770 B13R0.59 CCOC(=O)C(CC)OCCCSC 7a_100000690336_100000212269 [0,2,0,0,0,0|0,0,0]=2 5771 B13R0.59 CCOC(=O)C(CC)OCCSCC 34a_100000212035_100000212269 [0,2,0,0,0,0|0,0,0]=2 5772 B13R0.59 CCOC(=O)C(CC)OCCSCC 34a_100011216719_100000757381 [0,2,0,0,0,0|0,0,0]=2 5773 B13R0.59 CCOC(=O)C(CC)OCCSCC 7a_100000212035_100000212269 [0,2,0,0,0,0|0,0,0]=2 5774 B13R0.59 CCOC(=O)C(CC)OCCSCC 7a_100011216719_100000757381 [0,2,0,0,0,0|0,0,0]=2 5775 B13R0.59 CCOC(=O)C(CC)SCC#CCO 62a_100000212269_200000047223 [0,2,0,0,0,0|0,0,2]=4 5776 B13R0.59 CCOC(=O)C(CC)SCC#CCO 62a_200000047223_100000212269 [0,2,0,0,0,0|0,0,2]=4 5777 B13R0.59 CCOC(=O)C(CC)SCCCC#N 62a_100000212269_100000687738 [0,2,0,0,0,0|0,0,1]=3 5778 B13R0.59 CCOC(=O)C(CC)SCCCC#N 62a_100000687738_100000212269 [0,2,0,0,0,0|0,0,1]=3 5779 B13R0.59 CCOC(=O)C(CC)SCCCC=O 62a_100000212269_200011292268 [0,2,0,0,0,0|0,0,1]=3 5780 B13R0.59 CCOC(=O)C(CC)SCCCC=O 62a_200011292268_100000212269 [0,2,0,0,0,0|0,0,1]=3 5781 B13R0.59 CCOC(=O)C(CC)SCCCCF 62a_100000212269_100000729493 [0,2,0,0,0,0|0,0,0]=2 5782 B13R0.59 CCOC(=O)C(CC)SCCCCF 62a_100000729493_100000212269 [0,2,0,0,0,0|0,0,0]=2 5783 B13R0.59 CCOC(=O)C(CC)SCCCCO 62a_100000210776_100000212269 [0,2,0,0,0,0|0,0,0]=2 5784 B13R0.59 CCOC(=O)C(CC)SCCCCO 62a_100000212269_100000210776 [0,2,0,0,0,0|0,0,0]=2 5785 B13R0.59 CCOC(=O)C(CC)SCCCOC 62a_100000212269_100000709357 [0,2,0,0,0,0|0,0,0]=2 5786 B13R0.59 CCOC(=O)C(CC)SCCCOC 62a_100000709357_100000212269 [0,2,0,0,0,0|0,0,0]=2 5787 B13R0.59 CCOC(=O)C(CC)SCCSC#N 62a_100000034367_100000212269 [0,2,0,0,0,0|1,0,1]=4 5788 B13R0.59 CCOC(=O)C(CC)SCCSC#N 62a_100000212269_100000034367 [0,2,0,0,0,0|1,0,1]=4 5789 B13R0.59 CCOC(=O)C(CC)SCCSCC 62a_100000212269_100000757381 [0,2,0,0,0,0|0,0,0]=2 5790 B13R0.59 CCOC(=O)C(CC)SCCSCC 62a_100000757381_100000212269 [0,2,0,0,0,0|0,0,0]=2 5791 B13R0.59 CCOC(=O)C(NCCCCO)SC 34a_100000750430_100009893047 [0,2,0,0,0,0|1,0,0]=3 5792 B13R0.59 CCOC(=O)C(NCCCOC)SC 34a_100150723488_100009893047 [0,2,0,0,0,0|1,0,0]=3 5793 B13R0.59 CCOC(=O)C(OCCCCBr)SC 34a_100011216708_100009893047 [0,2,0,0,0,0|1,0,0]=3 5794 B13R0.59 CCOC(=O)C(OCCCCCl)SC 34a_100000210776_100009893047 [0,2,0,0,0,0|1,0,0]=3 5795 B13R0.59 CCOC(=O)C(OCCCCF)SC 34a_100011995726_100009893047 [0,2,0,0,0,0|1,0,0]=3 5796 B13R0.59 CCOC(=O)C(OCCCCI)SC 34a_200012148704_100009893047 [0,2,0,0,0,0|1,0,0]=3 5797 B13R0.59 CCOC(=O)C(OCCCCN)SC 34a_100000750430_100009893047 [0,2,0,0,0,0|1,0,0]=3 5798 B13R0.59 CCOC(=O)C(OCCCNC)SC 34a_100000213112_100009893047 [0,2,0,0,0,0|1,0,0]=3 5799 B13R0.59 CCOC(=O)C(OCCCOC)SC 34a_100000740835_100009893047 [0,2,0,0,0,0|1,0,0]=3 5800 B13R0.59 CCOC(=O)C(OCCCSC)SC 34a_100000690336_100009893047 [0,2,0,0,0,0|1,0,0]=3 5801 B13R0.59 CCOC(=O)C(OCCSCC)SC 34a_100000212035_100009893047 [0,2,0,0,0,0|1,0,0]=3 5802 B13R0.59 CCOC(=O)C(SC)SCCCC#N 62a_100000687738_100009893047 [0,2,0,0,0,0|1,0,1]=4 5803 B13R0.59 CCOC(=O)C(SC)SCCCC#N 62a_100009893047_100000687738 [0,2,0,0,0,0|1,0,1]=4 5804 B13R0.59 CCOC(=O)C(SC)SCCCC=O 62a_100009893047_200011292268 [0,2,0,0,0,0|1,0,1]=4 5805 B13R0.59 CCOC(=O)C(SC)SCCCC=O 62a_200011292268_100009893047 [0,2,0,0,0,0|1,0,1]=4 5806 B13R0.59 CCOC(=O)C(SC)SCCCCF 62a_100000729493_100009893047 [0,2,0,0,0,0|1,0,0]=3 5807 B13R0.59 CCOC(=O)C(SC)SCCCCF 62a_100009893047_100000729493 [0,2,0,0,0,0|1,0,0]=3 5808 B13R0.59 CCOC(=O)C(SC)SCCCCO 62a_100000210776_100009893047 [0,2,0,0,0,0|1,0,0]=3 5809 B13R0.59 CCOC(=O)C(SC)SCCCCO 62a_100009893047_100000210776 [0,2,0,0,0,0|1,0,0]=3 5810 B13R0.59 CCOC(=O)C(SC)SCCCOC 62a_100000709357_100009893047 [0,2,0,0,0,0|1,0,0]=3 5811 B13R0.59 CCOC(=O)C(SC)SCCCOC 62a_100009893047_100000709357 [0,2,0,0,0,0|1,0,0]=3 5812 B13R0.59 CCOC(=O)C(SC)SCCSCC 62a_100000757381_100009893047 [0,2,0,0,0,0|1,0,0]=3 5813 B13R0.59 CCOC(=O)C(SC)SCCSCC 62a_100009893047_100000757381 [0,2,0,0,0,0|1,0,0]=3 5814 B13R0.59 CCOCCNC(CC)C(=O)OCC 2230a_102516460346_100000212269 [0,2,0,0,0,0|0,0,0]=2 5815 B13R0.59 CCOCCNC(CC)C(=O)OCC 34a_102516460346_100000212269 [0,2,0,0,0,0|0,0,0]=2 5816 B13R0.59 CCOCCNC(SC)C(=O)OCC 34a_102516460346_100009893047 [0,2,0,0,0,0|1,0,0]=3 5817 B13R0.59 CCOCCOC(CC)C(=O)OCC 34a_100000210136_100000212269 [0,2,0,0,0,0|0,0,0]=2 5818 B13R0.59 CCOCCOC(CC)C(=O)OCC 34a_100011216719_100000210147 [0,2,0,0,0,0|0,0,0]=2 5819 B13R0.59 CCOCCOC(CC)C(=O)OCC 7a_100000210136_100000212269 [0,2,0,0,0,0|0,0,0]=2 5820 B13R0.59 CCOCCOC(CC)C(=O)OCC 7a_100011216719_100011215890 [0,2,0,0,0,0|0,0,0]=2 5821 B13R0.59 CCOCCOC(SC)C(=O)OCC 34a_100000210136_100009893047 [0,2,0,0,0,0|1,0,0]=3 5822 B13R0.59 CCOCCSC(C=O)C(=O)OCC 62a_100000053139_100011215890 [0,2,0,0,0,0|1,0,1]=4 5823 B13R0.59 CCOCCSC(C=O)C(=O)OCC 62a_100000210147_100000053139 [0,2,0,0,0,0|1,0,1]=4 5824 B13R0.59 CCOCCSC(CC)C(=O)OCC 62a_100000210147_100000212269 [0,2,0,0,0,0|0,0,0]=2 5825 B13R0.59 CCOCCSC(CC)C(=O)OCC 62a_100000212269_100011215890 [0,2,0,0,0,0|0,0,0]=2 5826 B13R0.59 CCOCCSC(SC)C(=O)OCC 62a_100000210147_100009893047 [0,2,0,0,0,0|1,0,0]=3 5827 B13R0.59 CCOCCSC(SC)C(=O)OCC 62a_100009893047_100011215890 [0,2,0,0,0,0|1,0,0]=3 5828 B13R0.94 C=C(Br)CCOC(CC)C(=O)OCC 34a_100009813270_100000212269 [0,2,0,0,0,0|0,0,2]=4 5829 B13R0.94 C=C(C)CCOC(CC)C(=O)OCC 34a_100000764851_100000212269 [0,2,0,0,0,0|0,0,1]=3 5830 B13R0.94 C=C(C)CCOC(CC)C(=O)OCC 34a_100011216719_100000730704 [0,2,0,0,0,0|0,0,1]=3 5831 B13R0.94 C=C(C)CCOC(CC)C(=O)OCC 7a_100011216719_100000730704 [0,2,0,0,0,0|0,0,1]=3 5832 B13R0.94 C=C(C)CCOC(SC)C(=O)OCC 34a_100000764851_100009893047 [0,2,0,0,0,0|1,0,1]=4 5833 B13R0.94 C=C(C)CCSC(CC)C(=O)OCC 62a_100000212269_100000730704 [0,2,0,0,0,0|0,0,1]=3 5834 B13R0.94 C=C(C)CCSC(CC)C(=O)OCC 62a_100000730704_100000212269 [0,2,0,0,0,0|0,0,1]=3 5835 B13R0.94 C=C(C)CCSC(SC)C(=O)OCC 62a_100000730704_100009893047 [0,2,0,0,0,0|1,0,1]=4 5836 B13R0.94 C=C(C)CCSC(SC)C(=O)OCC 62a_100009893047_100000730704 [0,2,0,0,0,0|1,0,1]=4 5837 B13R0.94 CCCC(=O)N(CC)CCCN(C)C 240690a_100000225837_100000211992 [0,2,0,0,0,0|2,0,0]=4 5838 B13R0.94 CCCC(=O)N(CC)CCCN(C)C 527a_100000225837_100000211992 [0,2,0,0,0,0|2,0,0]=4 5839 B13R0.94 CCNC(=O)N(CC)CCCN(C)C 2708a_100015525214_100000225837 [0,2,0,0,0,0|2,0,0]=4 5840 B13R0.94 CCNC(=O)N(CC)CCCN(C)C 273464a_100015525214_100000225837 [0,2,0,0,0,0|2,0,0]=4 5841 B13R0.94 CCOC(=O)C(=NNCC(C)O)CC 4a_200000730056_100000211510 [0,2,0,0,0,0|1,0,1]=4 5842 B13R0.94 CCOC(=O)C(C=O)SCCC(C)C 62a_100000053139_100000210312 [0,2,0,0,0,0|1,0,1]=4 5843 B13R0.94 CCOC(=O)C(C=O)SCCC(C)C 62a_100000210312_100000053139 [0,2,0,0,0,0|1,0,1]=4 5844 B13R0.94 CCOC(=O)C(C=O)SCCC(C)O 62a_100000053139_100012276601 [0,2,0,0,0,0|1,0,1]=4 5845 B13R0.94 CCOC(=O)C(C=O)SCCC(C)O 62a_100012276601_100000053139 [0,2,0,0,0,0|1,0,1]=4 5846 B13R0.94 CCOC(=O)C(CC)NCC=C(C)C 34a_100000718196_100000212269 [0,2,0,0,0,0|0,0,2]=4 5847 B13R0.94 CCOC(=O)C(CC)NCCC(C)O 2230a_200000755665_100000212269 [0,2,0,0,0,0|0,0,0]=2 5848 B13R0.94 CCOC(=O)C(CC)OCC=C(C)C 34a_100000753907_100000212269 [0,2,0,0,0,0|0,0,2]=4 5849 B13R0.94 CCOC(=O)C(CC)OCC=C(C)C 34a_100011216719_100000761012 [0,2,0,0,0,0|0,0,2]=4 5850 B13R0.94 CCOC(=O)C(CC)OCC=C(C)C 7a_100011216719_100000761012 [0,2,0,0,0,0|0,0,2]=4 5851 B13R0.94 CCOC(=O)C(CC)OCCC(=O)C 34a_100000759926_100000212269 [0,2,0,0,0,0|0,0,1]=3 5852 B13R0.94 CCOC(=O)C(CC)OCCC(=O)C 7a_100000759926_100000212269 [0,2,0,0,0,0|0,0,1]=3 5853 B13R0.94 CCOC(=O)C(CC)OCCC(=O)C 7a_100011216719_100000053229 [0,2,0,0,0,0|0,0,1]=3 5854 B13R0.94 CCOC(=O)C(CC)OCCC(=O)N 34a_100000757172_100000212269 [0,2,0,0,0,0|1,0,1]=4 5855 B13R0.94 CCOC(=O)C(CC)OCCC(=O)N 34a_100011216719_100000731001 [0,2,0,0,0,0|1,0,1]=4 5856 B13R0.94 CCOC(=O)C(CC)OCCC(=O)N 7a_100000757172_100000212269 [0,2,0,0,0,0|1,0,1]=4 5857 B13R0.94 CCOC(=O)C(CC)OCCC(=O)N 7a_100011216719_100000744528 [0,2,0,0,0,0|1,0,1]=4 5858 B13R0.94 CCOC(=O)C(CC)OCCC(C)Br 34a_100009893172_100000212269 [0,2,0,0,0,0|0,0,0]=2 5859 B13R0.94 CCOC(=O)C(CC)OCCC(C)C 34a_100000210254_100000212269 [0,2,0,0,0,0|0,0,0]=2 5860 B13R0.94 CCOC(=O)C(CC)OCCC(C)C 34a_100011216719_100000210312 [0,2,0,0,0,0|0,0,0]=2 5861 B13R0.94 CCOC(=O)C(CC)OCCC(C)C 7a_100000210254_100000212269 [0,2,0,0,0,0|0,0,0]=2 5862 B13R0.94 CCOC(=O)C(CC)OCCC(C)C 7a_100011216719_100000210626 [0,2,0,0,0,0|0,0,0]=2 5863 B13R0.94 CCOC(=O)C(CC)OCCC(C)O 34a_100011216719_100012276601 [0,2,0,0,0,0|0,0,0]=2 5864 B13R0.94 CCOC(=O)C(CC)OCCC(C)O 7a_100011216719_100012276601 [0,2,0,0,0,0|0,0,0]=2 5865 B13R0.94 CCOC(=O)C(CC)OCCC(F)F 34a_100103093639_100000212269 [0,2,0,0,0,0|1,0,0]=3 5866 B13R0.94 CCOC(=O)C(CC)OCCN(C)C 7a_100011216719_100000755713 [0,2,0,0,0,0|1,0,0]=3 5867 B13R0.94 CCOC(=O)C(CC)OCC[C@@H](C)N 34a_100000706166_100000212269 [0,2,0,0,0,0|0,0,0]=2 5868 B13R0.94 CCOC(=O)C(CC)OCOC(=O)C 34a_100011216719_100009813279 [0,2,0,0,0,0|1,0,1]=4 5869 B13R0.94 CCOC(=O)C(CC)OCOC(C)C 34a_100011216719_100000709892 [0,2,0,0,0,0|1,0,0]=3 5870 B13R0.94 CCOC(=O)C(CC)SCC=C(C)C 62a_100000212269_100000761012 [0,2,0,0,0,0|0,0,2]=4 5871 B13R0.94 CCOC(=O)C(CC)SCC=C(C)C 62a_100000761012_100000212269 [0,2,0,0,0,0|0,0,2]=4 5872 B13R0.94 CCOC(=O)C(CC)SCCC(=O)C 62a_100000053229_100000212269 [0,2,0,0,0,0|0,0,1]=3 5873 B13R0.94 CCOC(=O)C(CC)SCCC(=O)C 62a_100000212269_100000053229 [0,2,0,0,0,0|0,0,1]=3 5874 B13R0.94 CCOC(=O)C(CC)SCCC(=O)N 62a_100000212269_100000744528 [0,2,0,0,0,0|1,0,1]=4 5875 B13R0.94 CCOC(=O)C(CC)SCCC(=O)N 62a_100000744528_100000212269 [0,2,0,0,0,0|1,0,1]=4 5876 B13R0.94 CCOC(=O)C(CC)SCCC(C)C 62a_100000210312_100000212269 [0,2,0,0,0,0|0,0,0]=2 5877 B13R0.94 CCOC(=O)C(CC)SCCC(C)C 62a_100000212269_100000210312 [0,2,0,0,0,0|0,0,0]=2 5878 B13R0.94 CCOC(=O)C(CC)SCCC(C)O 62a_100000212269_100012276601 [0,2,0,0,0,0|0,0,0]=2 5879 B13R0.94 CCOC(=O)C(CC)SCCC(C)O 62a_100012276601_100000212269 [0,2,0,0,0,0|0,0,0]=2 5880 B13R0.94 CCOC(=O)C(CC)SCCN(C)C 62a_100000212269_100000755713 [0,2,0,0,0,0|1,0,0]=3 5881 B13R0.94 CCOC(=O)C(CC)SCOC(=O)C 62a_100000076356_100000212269 [0,2,0,0,0,0|1,0,1]=4 5882 B13R0.94 CCOC(=O)C(CC)SCOC(=O)C 62a_100000212269_100000076356 [0,2,0,0,0,0|1,0,1]=4 5883 B13R0.94 CCOC(=O)C(CC)SCOC(C)C 62a_100000212269_100000709892 [0,2,0,0,0,0|1,0,0]=3 5884 B13R0.94 CCOC(=O)C(CC)SCOC(C)C 62a_100000709892_100000212269 [0,2,0,0,0,0|1,0,0]=3 5885 B13R0.94 CCOC(=O)C(OCCC(=O)C)SC 34a_100000759926_100009893047 [0,2,0,0,0,0|1,0,1]=4 5886 B13R0.94 CCOC(=O)C(OCCC(C)Br)SC 34a_100009893172_100009893047 [0,2,0,0,0,0|1,0,0]=3 5887 B13R0.94 CCOC(=O)C(OCCC(C)C)SC 34a_100000210254_100009893047 [0,2,0,0,0,0|1,0,0]=3 5888 B13R0.94 CCOC(=O)C(OCCC(F)F)SC 34a_100103093639_100009893047 [0,2,0,0,0,0|2,0,0]=4 5889 B13R0.94 CCOC(=O)C(OCC[C@@H](C)N)SC 34a_100000706166_100009893047 [0,2,0,0,0,0|1,0,0]=3 5890 B13R0.94 CCOC(=O)C(SC)SCCC(=O)C 62a_100000053229_100009893047 [0,2,0,0,0,0|1,0,1]=4 5891 B13R0.94 CCOC(=O)C(SC)SCCC(=O)C 62a_100009893047_100000053229 [0,2,0,0,0,0|1,0,1]=4 5892 B13R0.94 CCOC(=O)C(SC)SCCC(C)C 62a_100000210312_100009893047 [0,2,0,0,0,0|1,0,0]=3 5893 B13R0.94 CCOC(=O)C(SC)SCCC(C)C 62a_100009893047_100000210312 [0,2,0,0,0,0|1,0,0]=3 5894 B13R0.94 CCOC(=O)C(SC)SCCC(C)O 62a_100009893047_100012276601 [0,2,0,0,0,0|1,0,0]=3 5895 B13R0.94 CCOC(=O)C(SC)SCCC(C)O 62a_100012276601_100009893047 [0,2,0,0,0,0|1,0,0]=3 5896 B13R0.94 CCOC(=O)C(SC)SCCN(C)C 62a_100009893047_100000755713 [0,2,0,0,0,0|2,0,0]=4 5897 B13R0.94 CCOC(=O)C(SC)SCOC(C)C 62a_100000709892_100009893047 [0,2,0,0,0,0|2,0,0]=4 5898 B13R0.94 CCOC(=O)C(SC)SCOC(C)C 62a_100009893047_100000709892 [0,2,0,0,0,0|2,0,0]=4 5899 B13R0.1989 CCCCC(CC)(CC)C(=O)CCC 1458a_200011736273_100000210303 [0,2,0,0,0,0|1,0,0]=3 5900 B13R0.1989 CCCCC(CC)(CC)C(=O)CCF 1458a_200011736273_100011217306 [0,2,0,0,0,0|2,0,0]=4 5901 B13R0.1989 CCCCC(CC)(CC)C(=O)CCO 1458a_200011736273_100000211926 [0,2,0,0,0,0|2,0,0]=4 5902 B13R0.1989 CCCCC(CC)(CC)C(=O)NCC 11a_100015525214_200011736273 [0,2,0,0,0,0|1,0,0]=3 5903 B13R0.1989 CCCCC(CC)(CC)C(=O)NCC 240690a_100015525214_200011736273 [0,2,0,0,0,0|1,0,0]=3 5904 B13R0.1989 CCCCC(CC)(CC)C(=O)NCC 527a_100015525214_200011736273 [0,2,0,0,0,0|1,0,0]=3 5905 B13R0.1989 CCCCC(CC)(CC)C(=O)NNC 22a_100016993582_200011736273 [0,2,0,0,0,0|2,0,0]=4 5906 B13R0.1989 CCCOC(CC)(CC)C(=O)OCC 34a_100000210258_200009990444 [0,2,0,0,0,0|1,0,0]=3 5907 B13R0.1989 CCCSC(CC)(CC)C(=O)OCC 62a_100000210303_200009990444 [0,2,0,0,0,0|1,0,0]=3 5908 B13R0.1989 CCCSC(CC)(CC)C(=O)OCC 62a_200009990444_100000210303 [0,2,0,0,0,0|1,0,0]=3 5909 B13R0.1989 CCOC(=O)C(CC)(CC)NCCF 34a_100000724931_200009990444 [0,2,0,0,0,0|2,0,0]=4 5910 B13R0.1989 CCOC(=O)C(CC)(CC)NCCO 2230a_100016997473_200009990444 [0,2,0,0,0,0|2,0,0]=4 5911 B13R0.1989 CCOC(=O)C(CC)(CC)NCCO 34a_100016990907_200009990444 [0,2,0,0,0,0|2,0,0]=4 5912 B13R0.1989 CCOC(=O)C(CC)(CC)OCCBr 34a_100000211926_200009990444 [0,2,0,0,0,0|2,0,0]=4 5913 B13R0.1989 CCOC(=O)C(CC)(CC)OCCN 34a_100000210304_200009990444 [0,2,0,0,0,0|2,0,0]=4 5914 B13R0.1989 CCOC(=O)C(CC)(CC)SCCF 62a_100011217306_200009990444 [0,2,0,0,0,0|2,0,0]=4 5915 B13R0.1989 CCOC(=O)C(CC)(CC)SCCF 62a_200009990444_100011217306 [0,2,0,0,0,0|2,0,0]=4 5916 B13R0.1989 CCOC(=O)C(CC)(CC)SCCO 62a_100000211926_200009990444 [0,2,0,0,0,0|2,0,0]=4 5917 B13R0.1989 CCOC(=O)C(CC)(CC)SCCO 62a_200009990444_100000211926 [0,2,0,0,0,0|2,0,0]=4 5918 B13R0.1989 CCOC(=O)C(CC)(CC)SCOC 62a_100000766300_200009990444 [0,2,0,0,0,0|2,0,0]=4 5919 B13R0.1989 CCOC(=O)C(CC)(CC)SCOC 62a_200009990444_100000766300 [0,2,0,0,0,0|2,0,0]=4 5920 B13R0.1989 CCOC(=O)C(CC)(CC)SCSC 62a_100011218213_200009990444 [0,2,0,0,0,0|2,0,0]=4 5921 B13R0.1989 CCOC(=O)C(CC)(CC)SCSC 62a_200009990444_100011218213 [0,2,0,0,0,0|2,0,0]=4 5922 B11R1.1 CC1CCC(CC1)COCF 34a_100000701341_100015361967 [1,0,0,1,0,0|1,0,1]=4 5923 B11R1.1 CCCNC1CCC(CC1)C 270004a_100020643023_100000185489 [1,0,0,1,0,0|2,0,0]=4 5924 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210303 [1,0,0,1,0,0|2,0,0]=4 5925 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210303 [1,0,0,1,0,0|2,0,0]=4 5926 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210258_200011216234 [1,0,0,1,0,0|2,0,0]=4 5927 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210714_100000210303 [1,0,0,1,0,0|2,0,0]=4 5928 B11R1.1 CCCOC1CCC(CC1)C 7a_100000210714_100000210303 [1,0,0,1,0,0|2,0,0]=4 5929 B11R1.1 CCCSC1CCC(CC1)C 62a_100000210303_200011216234 [1,0,0,1,0,0|2,0,0]=4 5930 B11R1.1 CCNCC1CCC(CC1)C 2230a_103436935547_100000210202 [1,0,0,1,0,0|1,0,1]=4 5931 B11R1.1 CCNCC1CCC(CC1)C 34a_103436935547_100000210202 [1,0,0,1,0,0|1,0,1]=4 5932 B11R1.1 CCOCC1CCC(CC1)C 34a_100000701341_100000210202 [1,0,0,1,0,0|0,0,1]=3 5933 B11R1.1 CCOCC1CCN(CC1)C 2230a_100000755292_200000210301 [1,0,0,1,0,0|1,0,1]=4 5934 B11R1.1 CCOCC1CCN(CC1)C 269982a_100000755292_200000210301 [1,0,0,1,0,0|1,0,1]=4 5935 B11R1.1 CCOCC1CCN(CC1)C 34a_100000755292_200000210301 [1,0,0,1,0,0|1,0,1]=4 5936 B11R1.1 CCOCC1CCN(CC1)[13CH3] 2230a_100000755292_200025704644 [1,0,0,1,0,0|1,0,1]=4 5937 B11R1.1 CCOCC1CCN(CC1)[13CH3] 269982a_100000755292_200025704644 [1,0,0,1,0,0|1,0,1]=4 5938 B11R1.1 CCOCC1CCN(CC1)[13CH3] 34a_100000755292_200025704644 [1,0,0,1,0,0|1,0,1]=4 5939 B11R1.1 CCOCN1CCC(CC1)C 269982a_100000188429_100000739092 [1,0,0,1,0,0|1,0,1]=4 5940 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210202 [1,0,0,1,0,0|1,0,1]=4 5941 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [1,0,0,1,0,0|2,0,0]=4 5942 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [1,0,0,1,0,0|2,0,0]=4 5943 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [1,0,0,1,0,0|2,0,0]=4 5944 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [1,0,0,1,0,0|2,0,0]=4 5945 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [1,0,0,1,0,0|2,0,0]=4 5946 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [1,0,0,1,0,0|2,0,0]=4 5947 B11R1.17 CCOCC1CCCCN1C 34a_100000225079_100000210202 [1,0,0,1,0,0|1,0,1]=4 5948 B11R1.17 CCOCC1CCCCN1C 34a_100121572206_100015186950 [1,0,0,1,0,0|1,0,1]=4 5949 B11R1.17 CCOCN1CCCCC1C 269982a_100000211376_100000739092 [1,0,0,1,0,0|1,0,1]=4 5950 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [1,0,0,1,0,0|1,0,1]=4 5951 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [1,0,0,1,0,0|1,0,1]=4 5952 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [1,0,0,1,0,0|2,0,0]=4 5953 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [1,0,0,1,0,0|2,0,0]=4 5954 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [1,0,0,1,0,0|2,0,0]=4 5955 B11R1.41 CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210303 [1,0,0,1,0,0|1,0,1]=4 5956 B11R1.41 CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210303 [1,0,0,1,0,0|1,0,1]=4 5957 B11R1.41 CCCN1CCOC[C@@H]1CC 34a_100016988097_100000210303 [1,0,0,1,0,0|1,0,1]=4 5958 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 5959 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 5960 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [1,0,0,1,0,0|0,0,1]=3 5961 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [1,0,0,1,0,0|0,0,1]=3 5962 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [1,0,0,1,0,0|1,0,1]=4 5963 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [1,0,0,1,0,0|1,0,1]=4 5964 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [1,0,0,1,0,0|1,0,1]=4 5965 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [1,0,0,1,0,0|1,0,1]=4 5966 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [1,0,0,1,0,0|1,0,1]=4 5967 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [1,0,0,1,0,0|2,0,0]=4 5968 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [1,0,0,1,0,0|2,0,0]=4 5969 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [1,0,0,1,0,0|2,0,0]=4 5970 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [1,0,0,1,0,0|2,0,0]=4 5971 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [1,0,0,1,0,0|2,0,0]=4 5972 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [1,0,0,1,0,0|2,0,0]=4 5973 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [1,0,0,1,0,0|2,0,0]=4 5974 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [1,0,0,1,0,0|2,0,0]=4 5975 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 5976 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [1,0,0,1,0,0|1,0,1]=4 5977 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [1,0,0,1,0,0|1,0,1]=4 5978 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 5979 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [1,0,0,1,0,0|0,0,1]=3 5980 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [1,0,0,1,0,0|0,0,1]=3 5981 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [1,0,0,1,0,0|0,0,1]=3 5982 B11R1.203 CCOCN1CCCCCC1 269982a_100000185865_100000739092 [1,0,0,1,0,0|1,0,1]=4 5983 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [1,0,0,1,0,0|0,1,1]=4 5984 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [1,0,0,1,0,0|0,1,1]=4 5985 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [1,0,0,1,0,0|1,0,1]=4 5986 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [1,0,0,1,0,0|1,0,1]=4 5987 B11R1.214 CCCNC1CCC(C1)CC 270004a_100020643023_100011218773 [1,0,0,1,0,0|2,0,0]=4 5988 B11R1.214 CCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000210202 [1,0,0,1,0,0|1,0,1]=4 5989 B11R1.280 CCC1CCC(N(C1)CC)C 2230a_100011219223_100000210202 [1,0,0,1,0,0|1,0,1]=4 5990 B11R1.280 CCC1CCC(N(C1)CC)C 269982a_100011219223_100000204670 [1,0,0,1,0,0|1,0,1]=4 5991 B11R1.280 CCC1CCC(N(C1)CC)C 34a_100011219223_100000210202 [1,0,0,1,0,0|1,0,1]=4 5992 B11R1.317 CCCCC(CC)N1CCC1 269982a_100000754969_200011216223 [1,0,0,1,0,0|2,0,0]=4 5993 B11R1.317 CCOCN(CC)C1CCC1 269982a_100000758130_100000739092 [1,0,0,1,0,0|1,0,1]=4 5994 B11R1.319 CCCCC(CC)NC1CC1 34a_100000212008_200011216223 [1,0,0,1,0,0|2,0,0]=4 5995 B11R1.319 CCCCC(CC)OC1CC1 34a_100011215227_100000211595 [1,0,0,1,0,0|2,0,0]=4 5996 B11R1.319 CCCCC(CC)SC1CC1 62a_200011216223_100000211595 [1,0,0,1,0,0|2,0,0]=4 5997 B11R1.1135 CCCNC1(CCCC1)CC 2230a_100015183760_100000210303 [1,0,0,1,0,0|2,0,0]=4 5998 B11R1.1135 CCCOC1(CCCC1)CC 7a_100000752416_100000210303 [1,0,0,1,0,0|2,0,0]=4 5999 B11R1.1135 CCOCC1(CCCC1)CN 34a_100000699429_100000210202 [1,0,0,1,0,0|1,0,1]=4 6000 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [1,0,0,1,0,0|2,0,0]=4 6001 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [1,0,0,1,0,0|2,0,0]=4 6002 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [1,0,0,1,0,0|2,0,0]=4 6003 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [1,0,0,1,0,0|2,0,0]=4 6004 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [1,0,0,1,0,0|2,0,0]=4 6005 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [1,0,0,1,0,0|2,0,0]=4 6006 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [1,0,0,1,0,0|2,0,0]=4 6007 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [1,0,0,1,0,0|2,0,0]=4 6008 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [1,0,0,1,0,0|2,0,0]=4 6009 B11R1.15 CCNC(=O)C1CCN(C1)C 240690a_100015525214_100000739633 [1,0,0,1,0,0|2,0,0]=4 6010 B11R1.15 CCNC(=O)C1CCN(C1)C 527a_100015525214_100000739633 [1,0,0,1,0,0|2,0,0]=4 6011 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 2708a_100015525214_100016987628 [1,0,0,1,0,0|2,0,0]=4 6012 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 273464a_100015525214_100016987628 [1,0,0,1,0,0|2,0,0]=4 6013 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [1,0,0,1,0,0|1,0,0]=3 6014 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [1,0,0,1,0,0|1,0,0]=3 6015 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [1,0,0,1,0,0|1,0,0]=3 6016 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [1,0,0,1,0,0|1,0,0]=3 6017 B11R1.16 CC#CC(=O)C1CCCCC1 1458a_100000763181_100000210327 [1,0,0,1,0,0|1,0,1]=4 6018 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [1,0,0,1,0,0|1,0,1]=4 6019 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [1,0,0,1,0,0|1,0,0]=3 6020 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [1,0,0,1,0,0|1,0,0]=3 6021 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [1,0,0,1,0,0|2,0,0]=4 6022 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [1,0,0,1,0,0|2,0,0]=4 6023 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [1,0,0,1,0,0|2,0,0]=4 6024 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [1,0,0,1,0,0|2,0,0]=4 6025 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [1,0,0,1,0,0|2,0,0]=4 6026 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [1,0,0,1,0,0|2,0,0]=4 6027 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [1,0,0,1,0,0|1,0,0]=3 6028 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [1,0,0,1,0,0|1,0,0]=3 6029 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [1,0,0,1,0,0|1,0,0]=3 6030 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [1,0,0,1,0,0|2,0,0]=4 6031 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [1,0,0,1,0,0|2,0,0]=4 6032 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [1,0,0,1,0,0|2,0,0]=4 6033 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [1,0,0,1,0,0|2,0,0]=4 6034 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [1,0,0,1,0,0|2,0,0]=4 6035 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [1,0,0,1,0,0|2,0,0]=4 6036 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [1,0,0,1,0,0|2,0,0]=4 6037 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [1,0,0,1,0,0|2,0,0]=4 6038 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [1,0,0,1,0,0|2,0,0]=4 6039 B11R1.16 CCNC(=O)C1CCSCC1 11a_100015525214_100000755232 [1,0,0,1,0,0|2,0,0]=4 6040 B11R1.16 CCNC(=O)C1CCSCC1 240690a_100015525214_100000755232 [1,0,0,1,0,0|2,0,0]=4 6041 B11R1.16 CCNC(=O)C1CCSCC1 527a_100015525214_100000755232 [1,0,0,1,0,0|2,0,0]=4 6042 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [1,0,0,1,0,0|1,0,1]=4 6043 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [1,0,0,1,0,0|1,0,1]=4 6044 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [1,0,0,1,0,0|2,0,0]=4 6045 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [1,0,0,1,0,0|2,0,0]=4 6046 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [1,0,0,1,0,0|2,0,0]=4 6047 B11R1.16 CNNC(=O)C1CCCCC1 22a_100016993582_100000210647 [1,0,0,1,0,0|2,0,0]=4 6048 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [1,0,0,1,0,0|2,0,0]=4 6049 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [1,0,0,1,0,0|2,0,0]=4 6050 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [1,0,0,1,0,0|2,0,0]=4 6051 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [1,0,0,1,0,0|2,0,0]=4 6052 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [1,0,0,1,0,0|2,0,0]=4 6053 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [1,0,0,1,0,0|2,0,0]=4 6054 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [1,0,0,1,0,0|2,0,0]=4 6055 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [1,0,0,1,0,0|2,0,0]=4 6056 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [1,0,0,1,0,0|2,0,0]=4 6057 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [1,0,0,1,0,0|2,0,0]=4 6058 B11R1.182 CCOC1CC(CCC1C)C 34a_100011217446_100000210202 [1,0,0,1,0,0|1,0,1]=4 6059 B11R1.182 CCOC1CC(CCC1C)C 7a_100011217446_100000210202 [1,0,0,1,0,0|1,0,1]=4 6060 B11R1.230 CC1CC(C(=O)O1)NCCF 34a_100000724931_200000216747 [1,0,0,1,0,0|2,0,0]=4 6061 B11R1.230 CC1CC(C(=O)O1)NCCO 2230a_100016997473_200000216747 [1,0,0,1,0,0|2,0,0]=4 6062 B11R1.230 CC1CC(C(=O)O1)NCCO 34a_100016990907_200000216747 [1,0,0,1,0,0|2,0,0]=4 6063 B11R1.230 CC1CC(C(=O)O1)OCCBr 34a_100000211926_200000216747 [1,0,0,1,0,0|2,0,0]=4 6064 B11R1.230 CC1CC(C(=O)O1)OCCN 34a_100000210304_200000216747 [1,0,0,1,0,0|2,0,0]=4 6065 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_100011217306_200000216747 [1,0,0,1,0,0|2,0,0]=4 6066 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_200000216747_100011217306 [1,0,0,1,0,0|2,0,0]=4 6067 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_100000211926_200000216747 [1,0,0,1,0,0|2,0,0]=4 6068 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_200000216747_100000211926 [1,0,0,1,0,0|2,0,0]=4 6069 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [1,0,0,1,0,0|1,0,0]=3 6070 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [1,0,0,1,0,0|1,0,0]=3 6071 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [1,0,0,1,0,0|1,0,0]=3 6072 B11R1.230 COCSC1CC(OC1=O)C 62a_100000766300_200000216747 [1,0,0,1,0,0|2,0,0]=4 6073 B11R1.230 COCSC1CC(OC1=O)C 62a_200000216747_100000766300 [1,0,0,1,0,0|2,0,0]=4 6074 B11R1.230 CSCSC1CC(OC1=O)C 62a_100011218213_200000216747 [1,0,0,1,0,0|2,0,0]=4 6075 B11R1.230 CSCSC1CC(OC1=O)C 62a_200000216747_100011218213 [1,0,0,1,0,0|2,0,0]=4 6076 B11R1.349 CCCC(=O)N(C)C1CCC1 11a_100000758072_100000211992 [1,0,0,1,0,0|2,0,0]=4 6077 B11R1.349 CCCC(=O)N(C)C1CCC1 1626a_100000758072_100000211992 [1,0,0,1,0,0|2,0,0]=4 6078 B11R1.349 CCCC(=O)N(C)C1CCC1 240690a_100000758072_100000211992 [1,0,0,1,0,0|2,0,0]=4 6079 B11R1.349 CCCC(=O)N(C)C1CCC1 527a_100000758072_100000211992 [1,0,0,1,0,0|2,0,0]=4 6080 B11R1.349 CCNC(=O)C(C)N1CCC1 269982a_100000754969_100000230173 [1,0,0,1,0,0|2,0,0]=4 6081 B11R1.349 CCNC(=O)N(C)C1CCC1 2708a_100015525214_100000758072 [1,0,0,1,0,0|2,0,0]=4 6082 B11R1.349 CCNC(=O)N(C)C1CCC1 273464a_100015525214_100000758072 [1,0,0,1,0,0|2,0,0]=4 6083 B11R1.349 CCOC(=O)C(C)N1CCC1 269982a_100000754969_100011216346 [1,0,0,1,0,0|1,0,0]=3 6084 B11R1.349 CCOC(=O)C(F)N1CCC1 269982a_100000754969_100000760018 [1,0,0,1,0,0|2,0,0]=4 6085 B11R1.351 CCCC(=O)N(C)CC1CC1 11a_100000741881_100000211992 [1,0,0,1,0,0|2,0,0]=4 6086 B11R1.351 CCCC(=O)N(C)CC1CC1 1626a_100000741881_100000211992 [1,0,0,1,0,0|2,0,0]=4 6087 B11R1.351 CCCC(=O)N(C)CC1CC1 240690a_100000741881_100000211992 [1,0,0,1,0,0|2,0,0]=4 6088 B11R1.351 CCCC(=O)N(C)CC1CC1 527a_100000741881_100000211992 [1,0,0,1,0,0|2,0,0]=4 6089 B11R1.351 CCNC(=O)C(C)NC1CC1 34a_100000212008_100000230173 [1,0,0,1,0,0|2,0,0]=4 6090 B11R1.351 CCNC(=O)C(C)NC1CC1 34a_100000736553_100000211595 [1,0,0,1,0,0|2,0,0]=4 6091 B11R1.351 CCNC(=O)C(C)SC1CC1 62a_100000230173_100000211595 [1,0,0,1,0,0|2,0,0]=4 6092 B11R1.351 CCNC(=O)N(C)CC1CC1 2708a_100015525214_100000741881 [1,0,0,1,0,0|2,0,0]=4 6093 B11R1.351 CCNC(=O)N(C)CC1CC1 273464a_100015525214_100000741881 [1,0,0,1,0,0|2,0,0]=4 6094 B11R1.351 CCOC(=O)C(C)NC1CC1 34a_100000212008_100011216346 [1,0,0,1,0,0|1,0,0]=3 6095 B11R1.351 CCOC(=O)C(C)SC1CC1 62a_100011216346_100000211595 [1,0,0,1,0,0|1,0,0]=3 6096 B11R1.351 CCOC(=O)C(F)NC1CC1 34a_100000212008_100000760018 [1,0,0,1,0,0|2,0,0]=4 6097 B11R1.351 CCOC(=O)C(F)SC1CC1 62a_100000760018_100000211595 [1,0,0,1,0,0|2,0,0]=4 6098 B11R1.526 CCCCC(C)C(=O)C1CC1 1458a_100000210395_200011215066 [1,0,0,1,0,0|1,0,0]=3 6099 B11R1.526 CCCCC(C)C(=O)C1CO1 1458a_100000701028_200011215066 [1,0,0,1,0,0|2,0,0]=4 6100 B11R1.526 CCCCN(C)C(=O)C1CC1 11a_100000207549_100000210395 [1,0,0,1,0,0|2,0,0]=4 6101 B11R1.526 CCCCN(C)C(=O)C1CC1 1626a_100000207549_100000210395 [1,0,0,1,0,0|2,0,0]=4 6102 B11R1.526 CCCCN(C)C(=O)C1CC1 240690a_100000207549_100000210395 [1,0,0,1,0,0|2,0,0]=4 6103 B11R1.526 CCCCN(C)C(=O)C1CC1 527a_100000207549_100000210395 [1,0,0,1,0,0|2,0,0]=4 6104 B11R1.819 CC1(CCCC1)C(=O)CCF 1458a_100000239728_100011217306 [1,0,0,1,0,0|2,0,0]=4 6105 B11R1.819 CC1(CCCC1)C(=O)CCO 1458a_100000239728_100000211926 [1,0,0,1,0,0|2,0,0]=4 6106 B11R1.819 CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210303 [1,0,0,1,0,0|1,0,0]=3 6107 B11R1.819 CCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210303 [1,0,0,1,0,0|2,0,0]=4 6108 B11R1.819 CCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210303 [1,0,0,1,0,0|2,0,0]=4 6109 B11R1.819 CCNC(=O)C1(CCCC1)C 11a_100015525214_100000239728 [1,0,0,1,0,0|1,0,0]=3 6110 B11R1.819 CCNC(=O)C1(CCCC1)C 240690a_100015525214_100000239728 [1,0,0,1,0,0|1,0,0]=3 6111 B11R1.819 CCNC(=O)C1(CCCC1)C 527a_100015525214_100000239728 [1,0,0,1,0,0|1,0,0]=3 6112 B11R1.819 CCNC(=O)C1(CCCC1)O 240690a_100015525214_100000242637 [1,0,0,1,0,0|2,0,0]=4 6113 B11R1.819 CCNC(=O)C1(CCCC1)O 527a_100015525214_100000242637 [1,0,0,1,0,0|2,0,0]=4 6114 B11R1.819 CCNC(=O)C1(CCCO1)C 11a_100015525214_100000684770 [1,0,0,1,0,0|2,0,0]=4 6115 B11R1.819 CCNC(=O)C1(CCCO1)C 240690a_100015525214_100000684770 [1,0,0,1,0,0|2,0,0]=4 6116 B11R1.819 CCNC(=O)C1(CCCO1)C 527a_100015525214_100000684770 [1,0,0,1,0,0|2,0,0]=4 6117 B11R1.819 CNNC(=O)C1(CCCC1)C 22a_100016993582_100000239728 [1,0,0,1,0,0|2,0,0]=4 6118 B11R1.822 CCCC(=O)C1CC(C1)CO 1458a_206645079618_100000210303 [1,0,0,1,0,0|2,0,0]=4 6119 B11R1.822 CCCC(=O)C1CC(C1)OC 1458a_100011999411_100000210303 [1,0,0,1,0,0|2,0,0]=4 6120 B11R1.822 CCCC(=O)N1CC(C1)CC 11a_100015205115_100000211992 [1,0,0,1,0,0|2,0,0]=4 6121 B11R1.822 CCCC(=O)N1CC(C1)CC 1626a_100015205115_100000211992 [1,0,0,1,0,0|2,0,0]=4 6122 B11R1.822 CCCC(=O)N1CC(C1)CC 240690a_100015205115_100000211992 [1,0,0,1,0,0|2,0,0]=4 6123 B11R1.822 CCCC(=O)N1CC(C1)CC 527a_100015205115_100000211992 [1,0,0,1,0,0|2,0,0]=4 6124 B11R1.822 CCNC(=O)C1CC(C1)OC 11a_100015525214_100011999411 [1,0,0,1,0,0|2,0,0]=4 6125 B11R1.822 CCNC(=O)C1CC(C1)OC 240690a_100015525214_100011999411 [1,0,0,1,0,0|2,0,0]=4 6126 B11R1.822 CCNC(=O)C1CC(C1)OC 527a_100015525214_100011999411 [1,0,0,1,0,0|2,0,0]=4 6127 B11R1.822 CCNC(=O)N1CC(C1)CC 2708a_100015525214_100015205115 [1,0,0,1,0,0|2,0,0]=4 6128 B11R1.822 CCNC(=O)N1CC(C1)CC 273464a_100015525214_100015205115 [1,0,0,1,0,0|2,0,0]=4 6129 B11R1.822 CCOC(=O)C1CC(C1)OC 7a_100000093532_200000210301 [1,0,0,1,0,0|1,0,0]=3 6130 B11R1.822 CCOC(=O)C1CC(C1)O[13CH3] 7a_100000093532_200025704644 [1,0,0,1,0,0|1,0,0]=3 6131 B11R1.822 CCOC(=O)C1CN(C1)CC 269982a_100015188541_100000204670 [1,0,0,1,0,0|1,0,0]=3 6132 B11R1.822 CCOC(=O)C1CN(C1)CF 269982a_100015188541_100015361967 [1,0,0,1,0,0|2,0,0]=4 6133 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [1,0,0,1,0,0|2,0,0]=4 6134 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [1,0,0,1,0,0|2,0,0]=4 6135 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [1,0,0,1,0,0|1,0,0]=3 6136 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [1,0,0,1,0,0|2,0,0]=4 6137 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [1,0,0,1,0,0|2,0,0]=4 6138 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [1,0,0,1,0,0|2,0,0]=4 6139 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [1,0,0,1,0,0|2,0,0]=4 6140 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [1,0,0,1,0,0|2,0,0]=4 6141 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [1,0,0,1,0,0|2,0,0]=4 6142 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [1,0,0,1,0,0|1,0,0]=3 6143 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [1,0,0,1,0,0|1,0,0]=3 6144 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [1,0,0,1,0,0|1,0,0]=3 6145 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [1,0,0,1,0,0|2,0,0]=4 6146 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [1,0,0,1,0,0|2,0,0]=4 6147 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [1,0,0,1,0,0|2,0,0]=4 6148 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [1,0,0,1,0,0|2,0,0]=4 6149 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [1,0,0,1,0,0|2,0,0]=4 6150 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [1,0,0,1,0,0|2,0,0]=4 6151 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [1,0,0,1,0,0|2,0,0]=4 6152 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [1,0,0,1,0,0|2,0,0]=4 6153 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [1,0,0,1,0,0|2,0,0]=4 6154 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [1,0,0,1,0,0|2,0,0]=4 6155 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [1,0,0,1,0,0|2,0,0]=4 6156 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [1,0,0,1,0,0|2,0,0]=4 6157 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [1,0,0,1,0,0|2,0,0]=4 6158 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [1,0,0,1,0,0|1,0,0]=3 6159 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [1,0,0,1,0,0|1,0,0]=3 6160 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [1,0,0,1,0,0|1,0,0]=3 6161 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [1,0,0,1,0,0|1,0,0]=3 6162 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [1,0,0,1,0,0|2,0,0]=4 6163 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [1,0,0,1,0,0|2,0,0]=4 6164 B11R1.199 CNNC(=O)C1CCCC1C 22a_100016993582_100000690547 [1,0,0,1,0,0|2,0,0]=4 6165 B11R1.265 CCC1C(=O)NCCN1CC 2230a_100000187962_100000210202 [1,0,0,1,0,0|2,0,0]=4 6166 B11R1.265 CCC1C(=O)NCCN1CC 269982a_100000187962_100000204670 [1,0,0,1,0,0|2,0,0]=4 6167 B11R1.265 CCC1C(=O)NCCN1CC 34a_100000187962_100000210202 [1,0,0,1,0,0|2,0,0]=4 6168 B11R1.605 CCCC1C(=O)NCCN1C 2230a_200000695202_200000210301 [1,0,0,1,0,0|2,0,0]=4 6169 B11R1.605 CCCC1C(=O)NCCN1C 269982a_200000695202_200000210301 [1,0,0,1,0,0|2,0,0]=4 6170 B11R1.605 CCCC1C(=O)NCCN1C 34a_200000695202_200000210301 [1,0,0,1,0,0|2,0,0]=4 6171 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 2230a_200000695202_200025704644 [1,0,0,1,0,0|2,0,0]=4 6172 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 269982a_200000695202_200025704644 [1,0,0,1,0,0|2,0,0]=4 6173 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 34a_200000695202_200025704644 [1,0,0,1,0,0|2,0,0]=4 6174 B11R1.763 CCCC(CC)C(=O)C1CC1 1458a_100000210395_100011219200 [1,0,0,1,0,0|1,0,0]=3 6175 B11R1.763 CCCC(CC)C(=O)C1CO1 1458a_100000701028_100011219200 [1,0,0,1,0,0|2,0,0]=4 6176 B11R1.763 CCCN(CC)C(=O)C1CC1 11a_100000226822_100000210395 [1,0,0,1,0,0|2,0,0]=4 6177 B11R1.763 CCCN(CC)C(=O)C1CC1 1626a_100000226822_100000210395 [1,0,0,1,0,0|2,0,0]=4 6178 B11R1.763 CCCN(CC)C(=O)C1CC1 240690a_100000226822_100000210395 [1,0,0,1,0,0|2,0,0]=4 6179 B11R1.763 CCCN(CC)C(=O)C1CC1 527a_100000226822_100000210395 [1,0,0,1,0,0|2,0,0]=4 6180 B11R1.823 CCCC(=O)N(CC)C1CC1 11a_100000738653_100000211992 [1,0,0,1,0,0|2,0,0]=4 6181 B11R1.823 CCCC(=O)N(CC)C1CC1 1626a_100000738653_100000211992 [1,0,0,1,0,0|2,0,0]=4 6182 B11R1.823 CCCC(=O)N(CC)C1CC1 240690a_100000738653_100000211992 [1,0,0,1,0,0|2,0,0]=4 6183 B11R1.823 CCCC(=O)N(CC)C1CC1 527a_100000738653_100000211992 [1,0,0,1,0,0|2,0,0]=4 6184 B11R1.823 CCNC(=O)N(CC)C1CC1 2708a_100015525214_100000738653 [1,0,0,1,0,0|2,0,0]=4 6185 B11R1.823 CCNC(=O)N(CC)C1CC1 273464a_100015525214_100000738653 [1,0,0,1,0,0|2,0,0]=4 6186 B11R1.823 CCOC(=O)C(NC)C1CC1 2230a_106832991635_100010073418 [1,0,0,1,0,0|1,0,0]=3 6187 B11R1.823 CCOC(=O)C(NC)C1CC1 34a_100102657272_100010073418 [1,0,0,1,0,0|1,0,0]=3 6188 B11R1.823 CCOC(=O)C(NC)C1CC1 7a_106832991635_100010073418 [1,0,0,1,0,0|1,0,0]=3 6189 B11R1.823 CCOC(=O)C(OC)C1CC1 34a_100138415774_100010073418 [1,0,0,1,0,0|1,0,0]=3 6190 B11R1.823 CCOC(=O)C(SC)C1CC1 62a_100010073418_200000210301 [1,0,0,1,0,0|1,0,0]=3 6191 B11R1.823 CCOC(=O)C(SC)C1CC1 62a_200000210301_100010073418 [1,0,0,1,0,0|1,0,0]=3 6192 B11R1.823 CCOC(=O)C(S[13CH3])C1CC1 62a_100010073418_200025704644 [1,0,0,1,0,0|1,0,0]=3 6193 B11R1.823 CCOC(=O)C(S[13CH3])C1CC1 62a_200025704644_100010073418 [1,0,0,1,0,0|1,0,0]=3 6194 B11R1.831 CCC1(CCC1)C(=O)CCF 1458a_100000685558_100011217306 [1,0,0,1,0,0|2,0,0]=4 6195 B11R1.831 CCC1(CCC1)C(=O)CCO 1458a_100000685558_100000211926 [1,0,0,1,0,0|2,0,0]=4 6196 B11R1.831 CCC1(CCC1)C(=O)NNC 22a_100016993582_100000685558 [1,0,0,1,0,0|2,0,0]=4 6197 B11R1.831 CCCC(=O)C1(CCC1)CC 1458a_100000685558_100000210303 [1,0,0,1,0,0|1,0,0]=3 6198 B11R1.831 CCCC(=O)C1(COC1)CC 1458a_100000139254_100000210303 [1,0,0,1,0,0|2,0,0]=4 6199 B11R1.831 CCNC(=O)C1(CCC1)CC 11a_100015525214_100000685558 [1,0,0,1,0,0|1,0,0]=3 6200 B11R1.831 CCNC(=O)C1(CCC1)CC 240690a_100015525214_100000685558 [1,0,0,1,0,0|1,0,0]=3 6201 B11R1.831 CCNC(=O)C1(CCC1)CC 527a_100015525214_100000685558 [1,0,0,1,0,0|1,0,0]=3 6202 B11R1.831 CCNC(=O)C1(COC1)CC 11a_100015525214_100000139254 [1,0,0,1,0,0|2,0,0]=4 6203 B11R1.831 CCNC(=O)C1(COC1)CC 240690a_100015525214_100000139254 [1,0,0,1,0,0|2,0,0]=4 6204 B11R1.831 CCNC(=O)C1(COC1)CC 527a_100015525214_100000139254 [1,0,0,1,0,0|2,0,0]=4 6205 B11R1.831 CCOC(=O)C1(CCC1)NC 34a_100102657272_100009814009 [1,0,0,1,0,0|1,0,0]=3 6206 B11R1.831 CCOC(=O)C1(CCC1)NC 7a_106832991635_100009814009 [1,0,0,1,0,0|1,0,0]=3 6207 B11R1.831 CCOC(=O)C1(CCC1)OC 34a_100138415774_100009814009 [1,0,0,1,0,0|1,0,0]=3 6208 B11R1.831 CCOC(=O)C1(CCC1)SC 62a_100009814009_200000210301 [1,0,0,1,0,0|1,0,0]=3 6209 B11R1.831 CCOC(=O)C1(CCC1)SC 62a_200000210301_100009814009 [1,0,0,1,0,0|1,0,0]=3 6210 B11R1.831 CCOC(=O)C1(CCC1)S[13CH3] 62a_100009814009_200025704644 [1,0,0,1,0,0|1,0,0]=3 6211 B11R1.831 CCOC(=O)C1(CCC1)S[13CH3] 62a_200025704644_100009814009 [1,0,0,1,0,0|1,0,0]=3 6212 B11R1.838 CCCC(=O)C1(CC1)OCC 1458a_100011094191_100000210303 [1,0,0,1,0,0|2,0,0]=4 6213 B11R1.838 CCNC(=O)C1(CC1)OCC 11a_100015525214_100011094191 [1,0,0,1,0,0|2,0,0]=4 6214 B11R1.838 CCNC(=O)C1(CC1)OCC 240690a_100015525214_100011094191 [1,0,0,1,0,0|2,0,0]=4 6215 B11R1.838 CCNC(=O)C1(CC1)OCC 527a_100015525214_100011094191 [1,0,0,1,0,0|2,0,0]=4 6216 B11R1.838 CCOC(=O)C1(CC1)CNC 2230a_106832991635_100010983122 [1,0,0,1,0,0|1,0,0]=3 6217 B11R1.838 CCOC(=O)C1(CC1)CNC 34a_100102657272_100010983122 [1,0,0,1,0,0|1,0,0]=3 6218 B11R1.838 CCOC(=O)C1(CC1)CNC 7a_106832991635_100010983122 [1,0,0,1,0,0|1,0,0]=3 6219 B11R1.838 CCOC(=O)C1(CC1)COC 34a_100138415774_100010983122 [1,0,0,1,0,0|1,0,0]=3 6220 B11R1.838 CCOC(=O)C1(CC1)COC 7a_100000093544_200000210301 [1,0,0,1,0,0|1,0,0]=3 6221 B11R1.838 CCOC(=O)C1(CC1)CO[13CH3] 7a_100000093544_200025704644 [1,0,0,1,0,0|1,0,0]=3 6222 B11R1.838 CCOC(=O)C1(CC1)CSC 62a_100010983122_200000210301 [1,0,0,1,0,0|1,0,0]=3 6223 B11R1.838 CCOC(=O)C1(CC1)CSC 62a_200000210301_100010983122 [1,0,0,1,0,0|1,0,0]=3 6224 B11R1.838 CCOC(=O)C1(CC1)CS[13CH3] 62a_100010983122_200025704644 [1,0,0,1,0,0|1,0,0]=3 6225 B11R1.838 CCOC(=O)C1(CC1)CS[13CH3] 62a_200025704644_100010983122 [1,0,0,1,0,0|1,0,0]=3 6226 B11R1.838 CCOC(=O)C1(CC1)OCC 34a_100121572206_100009861064 [1,0,0,1,0,0|1,0,0]=3 6227 B11R1.838 CCOC(=O)C1(CC1)OCC 7a_200011934196_100000210202 [1,0,0,1,0,0|1,0,0]=3 6228 B11R1.838 CCOC(=O)C1(CC1)OCF 7a_200011934196_100015361967 [1,0,0,1,0,0|2,0,0]=4 6229 B11R1.838 CCOC(=O)C1(CC1)SCC 62a_100000210202_100009861064 [1,0,0,1,0,0|1,0,0]=3 6230 B11R1.838 CCOC(=O)C1(CC1)SCC 62a_100009861064_100000210202 [1,0,0,1,0,0|1,0,0]=3 6231 B11R1.838 CCOC(=O)C1(CC1)SCF 62a_100009861064_100015361967 [1,0,0,1,0,0|2,0,0]=4 6232 B11R1.838 CCOC(=O)C1(CC1)SCF 62a_100015361967_100009861064 [1,0,0,1,0,0|2,0,0]=4 6233 B11R1.22 C#CC(=O)C1CCC(CC1)C 1458a_100000211873_200011216234 [1,0,0,1,0,0|0,0,2]=4 6234 B11R1.22 C=C1CCC(CC1)C(=O)CC 1458a_200000138047_100000210202 [1,0,0,1,0,0|0,0,2]=4 6235 B11R1.22 C=CC(=O)C1CCC(CC1)C 1458a_100000185746_200011216234 [1,0,0,1,0,0|0,0,2]=4 6236 B11R1.22 CC1CCC(CC1)C(=O)CO 1458a_100000210174_200011216234 [1,0,0,1,0,0|1,0,0]=3 6237 B11R1.22 CC1CCN(CC1)C(=O)CO 240690a_100000188429_100000210174 [1,0,0,1,0,0|2,0,0]=4 6238 B11R1.22 CC1CCN(CC1)C(=O)CO 527a_100000188429_100000210174 [1,0,0,1,0,0|2,0,0]=4 6239 B11R1.22 CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210202 [1,0,0,1,0,0|0,0,2]=4 6240 B11R1.22 CCC(=O)C1CCC(CC1)C 1458a_100000210414_200011216234 [1,0,0,1,0,0|0,0,0]=2 6241 B11R1.22 CCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210202 [1,0,0,1,0,0|1,0,0]=3 6242 B11R1.22 CCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210202 [1,0,0,1,0,0|1,0,0]=3 6243 B11R1.22 CCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210414 [1,0,0,1,0,0|1,0,0]=3 6244 B11R1.22 CCC(=O)N1CCC(CC1)C 527a_100000188429_100000210414 [1,0,0,1,0,0|1,0,0]=3 6245 B11R1.22 CCC(=O)N1CCC(CC1)F 11a_100015193889_100000210414 [1,0,0,1,0,0|2,0,0]=4 6246 B11R1.22 CCC(=O)N1CCC(CC1)F 1626a_100015193889_100000210414 [1,0,0,1,0,0|2,0,0]=4 6247 B11R1.22 CCC(=O)N1CCC(CC1)F 240690a_100015193889_100000210414 [1,0,0,1,0,0|2,0,0]=4 6248 B11R1.22 CCC(=O)N1CCC(CC1)F 527a_100015193889_100000210414 [1,0,0,1,0,0|2,0,0]=4 6249 B11R1.22 CCC(=O)N1CCC(CC1)O 240690a_100025773856_100000210414 [1,0,0,1,0,0|2,0,0]=4 6250 B11R1.22 CCC(=O)N1CCC(CC1)O 527a_100025773856_100000210414 [1,0,0,1,0,0|2,0,0]=4 6251 B11R1.22 CCC(=O)N1CCN(CC1)C 11a_100000188432_100000210414 [1,0,0,1,0,0|2,0,0]=4 6252 B11R1.22 CCC(=O)N1CCN(CC1)C 2230a_100000749825_200000210301 [1,0,0,1,0,0|2,0,0]=4 6253 B11R1.22 CCC(=O)N1CCN(CC1)C 240690a_100000188432_100000210414 [1,0,0,1,0,0|2,0,0]=4 6254 B11R1.22 CCC(=O)N1CCN(CC1)C 269982a_100000749825_200000210301 [1,0,0,1,0,0|2,0,0]=4 6255 B11R1.22 CCC(=O)N1CCN(CC1)C 527a_100000188432_100000210414 [1,0,0,1,0,0|2,0,0]=4 6256 B11R1.22 CCC(=O)N1CCN(CC1)[13CH3] 2230a_100000749825_200025704644 [1,0,0,1,0,0|2,0,0]=4 6257 B11R1.22 CCC(=O)N1CCN(CC1)[13CH3] 269982a_100000749825_200025704644 [1,0,0,1,0,0|2,0,0]=4 6258 B11R1.22 CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210202 [1,0,0,1,0,0|0,0,0]=2 6259 B11R1.22 CCN(C)C1CCC(CC1)C 269982a_100000225621_200011216234 [1,0,0,1,0,0|2,0,0]=4 6260 B11R1.22 CN1CCC(CC1)C(=O)CF 1458a_100000743488_100015361967 [1,0,0,1,0,0|2,0,0]=4 6261 B11R1.22 CNC(=O)C1CCC(CC1)O 1626a_100102657272_100000743365 [1,0,0,1,0,0|2,0,0]=4 6262 B11R1.22 CNC(=O)C1CCC(CC1)O 240690a_100102657272_100000743365 [1,0,0,1,0,0|2,0,0]=4 6263 B11R1.22 CNC(=O)C1CCC(CC1)O 527a_100102657272_100000743365 [1,0,0,1,0,0|2,0,0]=4 6264 B11R1.22 CNC(=O)C1CCN(CC1)C 2230a_100000746005_200000210301 [1,0,0,1,0,0|2,0,0]=4 6265 B11R1.22 CNC(=O)C1CCN(CC1)C 240690a_100102657272_100000743488 [1,0,0,1,0,0|2,0,0]=4 6266 B11R1.22 CNC(=O)C1CCN(CC1)C 269982a_100000746005_200000210301 [1,0,0,1,0,0|2,0,0]=4 6267 B11R1.22 CNC(=O)C1CCN(CC1)C 34a_100000746005_200000210301 [1,0,0,1,0,0|2,0,0]=4 6268 B11R1.22 CNC(=O)C1CCN(CC1)C 527a_100102657272_100000743488 [1,0,0,1,0,0|2,0,0]=4 6269 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 2230a_100000746005_200025704644 [1,0,0,1,0,0|2,0,0]=4 6270 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 269982a_100000746005_200025704644 [1,0,0,1,0,0|2,0,0]=4 6271 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 34a_100000746005_200025704644 [1,0,0,1,0,0|2,0,0]=4 6272 B11R1.22 CNC(=O)N1CCC(CC1)C 2708a_100102657272_100000188429 [1,0,0,1,0,0|2,0,0]=4 6273 B11R1.22 CNC(=O)N1CCC(CC1)C 273464a_100102657272_100000188429 [1,0,0,1,0,0|2,0,0]=4 6274 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 11a_106832991635_100009815934 [1,0,0,1,0,0|1,0,0]=3 6275 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100102657272_100009815934 [1,0,0,1,0,0|1,0,0]=3 6276 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100102657272_100009815934 [1,0,0,1,0,0|1,0,0]=3 6277 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100102657272_100009815934 [1,0,0,1,0,0|1,0,0]=3 6278 B11R1.22 COC(=O)C1CCN(CC1)C 2230a_100000212072_200000210301 [1,0,0,1,0,0|1,0,0]=3 6279 B11R1.22 COC(=O)C1CCN(CC1)C 269982a_100000212072_200000210301 [1,0,0,1,0,0|1,0,0]=3 6280 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 2230a_100000212072_200025704644 [1,0,0,1,0,0|1,0,0]=3 6281 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 269982a_100000212072_200025704644 [1,0,0,1,0,0|1,0,0]=3 6282 B11R1.22 COC(=O)N1CCN(CC1)C 2230a_100000742817_200000210301 [1,0,0,1,0,0|2,0,0]=4 6283 B11R1.22 COC(=O)N1CCN(CC1)C 269982a_100000742817_200000210301 [1,0,0,1,0,0|2,0,0]=4 6284 B11R1.22 COC(=O)N1CCN(CC1)[13CH3] 2230a_100000742817_200025704644 [1,0,0,1,0,0|2,0,0]=4 6285 B11R1.22 COC(=O)N1CCN(CC1)[13CH3] 269982a_100000742817_200025704644 [1,0,0,1,0,0|2,0,0]=4 6286 B11R1.22 C[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100009815934_100015361967 [1,0,0,1,0,0|1,0,0]=3 6287 B11R1.22 O=C(CF)C1CCC(CC1)O 1458a_100000743365_100015361967 [1,0,0,1,0,0|2,0,0]=4 6288 B11R1.44 CCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210202 [1,0,0,1,0,0|1,0,0]=3 6289 B11R1.44 CCC(=O)N1CCC(C1)CO 240690a_100000748654_100000210414 [1,0,0,1,0,0|2,0,0]=4 6290 B11R1.44 CCC(=O)N1CCC(C1)CO 527a_100000748654_100000210414 [1,0,0,1,0,0|2,0,0]=4 6291 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000210414 [1,0,0,1,0,0|2,0,0]=4 6292 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000210414 [1,0,0,1,0,0|2,0,0]=4 6293 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000210414 [1,0,0,1,0,0|2,0,0]=4 6294 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000210414 [1,0,0,1,0,0|2,0,0]=4 6295 B11R1.44 CCN1CCC(C1)C(=O)CF 1458a_100103286618_100015361967 [1,0,0,1,0,0|2,0,0]=4 6296 B11R1.44 CCN1CCC(C1)C(=O)NC 11a_106832991635_100103286618 [1,0,0,1,0,0|2,0,0]=4 6297 B11R1.44 CCN1CCC(C1)C(=O)NC 2230a_100020588580_100000210202 [1,0,0,1,0,0|2,0,0]=4 6298 B11R1.44 CCN1CCC(C1)C(=O)NC 240690a_100102657272_100103286618 [1,0,0,1,0,0|2,0,0]=4 6299 B11R1.44 CCN1CCC(C1)C(=O)NC 269982a_100020588580_100000204670 [1,0,0,1,0,0|2,0,0]=4 6300 B11R1.44 CCN1CCC(C1)C(=O)NC 34a_100020588580_100000210202 [1,0,0,1,0,0|2,0,0]=4 6301 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210202 [1,0,0,1,0,0|1,0,0]=3 6302 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000204670 [1,0,0,1,0,0|1,0,0]=3 6303 B11R1.44 COC(=O)C1CCC(C1)OC 34a_100010257243_200000210301 [1,0,0,1,0,0|1,0,0]=3 6304 B11R1.44 COC(=O)C1CCC(C1)OC 7a_100010257243_200000210301 [1,0,0,1,0,0|1,0,0]=3 6305 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 34a_100010257243_200025704644 [1,0,0,1,0,0|1,0,0]=3 6306 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 7a_100010257243_200025704644 [1,0,0,1,0,0|1,0,0]=3 6307 B11R1.44 COC(=O)[C@@H]1CCN(C1)CF 269982a_100016989057_100015361967 [1,0,0,1,0,0|2,0,0]=4 6308 B11R1.115 CCC(=O)N1CCC1COC 11a_100015195929_100000210414 [1,0,0,1,0,0|2,0,0]=4 6309 B11R1.115 CCC(=O)N1CCC1COC 1626a_100015195929_100000210414 [1,0,0,1,0,0|2,0,0]=4 6310 B11R1.115 CCC(=O)N1CCC1COC 240690a_100015195929_100000210414 [1,0,0,1,0,0|2,0,0]=4 6311 B11R1.115 CCC(=O)N1CCC1COC 527a_100015195929_100000210414 [1,0,0,1,0,0|2,0,0]=4 6312 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [1,0,0,1,0,0|1,0,0]=3 6313 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [1,0,0,1,0,0|1,0,0]=3 6314 B11R1.115 COC(=O)[C@@H]1CCN1CCF 2230a_102516456887_100011217306 [1,0,0,1,0,0|2,0,0]=4 6315 B11R1.115 COC(=O)[C@@H]1CCN1CCF 269982a_102516456887_100011217306 [1,0,0,1,0,0|2,0,0]=4 6316 B11R1.115 COC(=O)[C@@H]1CCN1CCO 2230a_102516456887_100000211926 [1,0,0,1,0,0|2,0,0]=4 6317 B11R1.115 COC(=O)[C@@H]1CCN1CCO 269982a_102516456887_100000211926 [1,0,0,1,0,0|2,0,0]=4 6318 B11R1.115 COC(=O)[C@@H]1CCN1CSC 2230a_102516456887_100011218213 [1,0,0,1,0,0|2,0,0]=4 6319 B11R1.115 COC(=O)[C@@H]1CCN1CSC 269982a_102516456887_100011218213 [1,0,0,1,0,0|2,0,0]=4 6320 B11R1.115 COCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000766300 [1,0,0,1,0,0|2,0,0]=4 6321 B11R1.115 COCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000766300 [1,0,0,1,0,0|2,0,0]=4 6322 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [1,0,0,1,0,0|1,0,0]=3 6323 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [1,0,0,1,0,0|2,0,0]=4 6324 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [1,0,0,1,0,0|2,0,0]=4 6325 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [1,0,0,1,0,0|1,0,1]=4 6326 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [1,0,0,1,0,0|0,0,0]=2 6327 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [1,0,0,1,0,0|1,0,0]=3 6328 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [1,0,0,1,0,0|1,0,0]=3 6329 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [1,0,0,1,0,0|1,0,0]=3 6330 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [1,0,0,1,0,0|1,0,0]=3 6331 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [1,0,0,1,0,0|1,0,0]=3 6332 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210414 [1,0,0,1,0,0|2,0,0]=4 6333 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210414 [1,0,0,1,0,0|2,0,0]=4 6334 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210414 [1,0,0,1,0,0|2,0,0]=4 6335 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [1,0,0,1,0,0|1,0,0]=3 6336 B11R1.222 CN1CCCC[C@@H]1C(=O)CF 1458a_100000767060_100015361967 [1,0,0,1,0,0|2,0,0]=4 6337 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [1,0,0,1,0,0|1,0,0]=3 6338 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [1,0,0,1,0,0|1,0,0]=3 6339 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [1,0,0,1,0,0|1,0,0]=3 6340 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [1,0,0,1,0,0|1,0,0]=3 6341 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [1,0,0,1,0,0|2,0,0]=4 6342 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [1,0,0,1,0,0|2,0,0]=4 6343 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [1,0,0,1,0,0|2,0,0]=4 6344 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [1,0,0,1,0,0|2,0,0]=4 6345 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [1,0,0,1,0,0|2,0,0]=4 6346 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [1,0,0,1,0,0|2,0,0]=4 6347 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [1,0,0,1,0,0|2,0,0]=4 6348 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [1,0,0,1,0,0|2,0,0]=4 6349 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [1,0,0,1,0,0|2,0,0]=4 6350 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [1,0,0,1,0,0|2,0,0]=4 6351 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [1,0,0,1,0,0|2,0,0]=4 6352 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [1,0,0,1,0,0|2,0,0]=4 6353 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [1,0,0,1,0,0|1,0,0]=3 6354 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [1,0,0,1,0,0|1,0,0]=3 6355 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [1,0,0,1,0,0|1,0,0]=3 6356 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [1,0,0,1,0,0|1,0,0]=3 6357 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [1,0,0,1,0,0|1,0,0]=3 6358 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [1,0,0,1,0,0|1,0,0]=3 6359 B11R1.222 COC(=O)C1COCCN1C 2230a_100000765174_200000210301 [1,0,0,1,0,0|2,0,0]=4 6360 B11R1.222 COC(=O)C1COCCN1C 34a_100000765174_200000210301 [1,0,0,1,0,0|2,0,0]=4 6361 B11R1.222 COC(=O)C1COCCN1[13CH3] 2230a_100000765174_200025704644 [1,0,0,1,0,0|2,0,0]=4 6362 B11R1.222 COC(=O)C1COCCN1[13CH3] 34a_100000765174_200025704644 [1,0,0,1,0,0|2,0,0]=4 6363 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [1,0,0,1,0,0|2,0,0]=4 6364 B11R1.278 CCN1CCN(C(C1=O)C)C 2230a_100000708142_200000210301 [1,0,0,1,0,0|2,0,0]=4 6365 B11R1.278 CCN1CCN(C(C1=O)C)C 269982a_100000708142_200000210301 [1,0,0,1,0,0|2,0,0]=4 6366 B11R1.278 CCN1CCN(C(C1=O)C)C 34a_100000708142_200000210301 [1,0,0,1,0,0|2,0,0]=4 6367 B11R1.278 CCN1CCN(C(C1=O)C)[13CH3] 2230a_100000708142_200025704644 [1,0,0,1,0,0|2,0,0]=4 6368 B11R1.278 CCN1CCN(C(C1=O)C)[13CH3] 269982a_100000708142_200025704644 [1,0,0,1,0,0|2,0,0]=4 6369 B11R1.278 CCN1CCN(C(C1=O)C)[13CH3] 34a_100000708142_200025704644 [1,0,0,1,0,0|2,0,0]=4 6370 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [1,0,0,1,0,0|0,0,2]=4 6371 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [1,0,0,1,0,0|0,0,2]=4 6372 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [1,0,0,1,0,0|0,0,2]=4 6373 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [1,0,0,1,0,0|0,0,0]=2 6374 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [1,0,0,1,0,0|0,0,0]=2 6375 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [1,0,0,1,0,0|1,0,0]=3 6376 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [1,0,0,1,0,0|1,0,0]=3 6377 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [1,0,0,1,0,0|1,0,0]=3 6378 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [1,0,0,1,0,0|1,0,0]=3 6379 B11R1.852 CCC(=O)N1CCCOCC1 11a_100000685342_100000210414 [1,0,0,1,0,0|2,0,0]=4 6380 B11R1.852 CCC(=O)N1CCCOCC1 1626a_100000685342_100000210414 [1,0,0,1,0,0|2,0,0]=4 6381 B11R1.852 CCC(=O)N1CCCOCC1 240690a_100000685342_100000210414 [1,0,0,1,0,0|2,0,0]=4 6382 B11R1.852 CCC(=O)N1CCCOCC1 527a_100000685342_100000210414 [1,0,0,1,0,0|2,0,0]=4 6383 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [1,0,0,1,0,0|2,0,0]=4 6384 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [1,0,0,1,0,0|2,0,0]=4 6385 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [1,0,0,1,0,0|2,0,0]=4 6386 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [1,0,0,1,0,0|2,0,0]=4 6387 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [1,0,0,1,0,0|2,0,0]=4 6388 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [1,0,0,1,0,0|2,0,0]=4 6389 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [1,0,0,1,0,0|2,0,0]=4 6390 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [1,0,0,1,0,0|2,0,0]=4 6391 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [1,0,0,1,0,0|2,0,0]=4 6392 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [1,0,0,1,0,0|2,0,0]=4 6393 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [1,0,0,1,0,0|1,0,0]=3 6394 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [1,0,0,1,0,0|1,0,0]=3 6395 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [1,0,0,1,0,0|1,0,0]=3 6396 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [1,0,0,1,0,0|1,0,0]=3 6397 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [1,0,0,1,0,0|2,0,0]=4 6398 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [1,0,0,1,0,0|2,0,0]=4 6399 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [1,0,0,1,0,0|1,0,0]=3 6400 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [1,0,0,1,0,0|1,0,0]=3 6401 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [1,0,0,1,0,0|2,0,0]=4 6402 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [1,0,0,1,0,0|2,0,0]=4 6403 B11R1.860 CCC(=O)N(CC)C1CCC1 11a_100000758130_100000210414 [1,0,0,1,0,0|1,0,0]=3 6404 B11R1.860 CCC(=O)N(CC)C1CCC1 1626a_100000758130_100000210414 [1,0,0,1,0,0|1,0,0]=3 6405 B11R1.860 CCC(=O)N(CC)C1CCC1 240690a_100000758130_100000210414 [1,0,0,1,0,0|1,0,0]=3 6406 B11R1.860 CCC(=O)N(CC)C1CCC1 527a_100000758130_100000210414 [1,0,0,1,0,0|1,0,0]=3 6407 B11R1.860 CCC(=O)N(CC)C1COC1 11a_200015199590_100000210414 [1,0,0,1,0,0|2,0,0]=4 6408 B11R1.860 CCC(=O)N(CC)C1COC1 1626a_200015199590_100000210414 [1,0,0,1,0,0|2,0,0]=4 6409 B11R1.860 CCC(C(=O)OC)N1CCC1 269982a_100000754969_100000235869 [1,0,0,1,0,0|1,0,0]=3 6410 B11R1.860 CCN(C(=O)CO)C1CCC1 240690a_100000758130_100000210174 [1,0,0,1,0,0|2,0,0]=4 6411 B11R1.860 CCN(C(=O)CO)C1CCC1 527a_100000758130_100000210174 [1,0,0,1,0,0|2,0,0]=4 6412 B11R1.860 CCN(C(=O)NC)C1CCC1 2708a_100102657272_100000758130 [1,0,0,1,0,0|2,0,0]=4 6413 B11R1.860 CCN(C(=O)NC)C1CCC1 273464a_100102657272_100000758130 [1,0,0,1,0,0|2,0,0]=4 6414 B11R1.862 CCC(=O)C(CC)OC1CC1 34a_200011218131_100000211595 [1,0,0,1,0,0|1,0,0]=3 6415 B11R1.862 CCC(NC1CC1)C(=O)OC 34a_100000212008_100000235869 [1,0,0,1,0,0|1,0,0]=3 6416 B11R1.862 CCC(OC1CC1)C(=O)OC 34a_100000695916_100000211595 [1,0,0,1,0,0|1,0,0]=3 6417 B11R1.862 CCC(SC1CC1)C(=O)OC 62a_100000235869_100000211595 [1,0,0,1,0,0|1,0,0]=3 6418 B11R1.862 CC[C@H](NC1CC1)C(=O)NC 34a_106657271573_100000211595 [1,0,0,1,0,0|2,0,0]=4 6419 B11R1.862 COC(=O)C(CN)OC1CC1 34a_100000695228_100000211595 [1,0,0,1,0,0|2,0,0]=4 6420 B11R1.862 COC(=O)C(CO)NC1CC1 34a_100000212008_100012276630 [1,0,0,1,0,0|2,0,0]=4 6421 B11R1.862 COC(=O)C(CO)SC1CC1 62a_100012276630_100000211595 [1,0,0,1,0,0|2,0,0]=4 6422 B11R1.862 COC(=O)C(NC1CC1)OC 34a_100000212008_100000101307 [1,0,0,1,0,0|2,0,0]=4 6423 B11R1.862 COC(=O)C(OC)OC1CC1 34a_100000036821_100000211595 [1,0,0,1,0,0|2,0,0]=4 6424 B11R1.862 COC(=O)C(OC)SC1CC1 62a_100000101307_100000211595 [1,0,0,1,0,0|2,0,0]=4 6425 B11R1.862 COC(=O)[C@@H](CC1CC1)OC 34a_100015422700_200000210301 [1,0,0,1,0,0|1,0,0]=3 6426 B11R1.862 COC(=O)[C@@H](CC1CC1)OC 7a_100015422700_200000210301 [1,0,0,1,0,0|1,0,0]=3 6427 B11R1.862 COC(=O)[C@@H](CC1CC1)O[13CH3] 34a_100015422700_200025704644 [1,0,0,1,0,0|1,0,0]=3 6428 B11R1.862 COC(=O)[C@@H](CC1CC1)O[13CH3] 7a_100015422700_200025704644 [1,0,0,1,0,0|1,0,0]=3 6429 B11R1.915 CCCOC1(CC1)C(=O)OC 34a_100000210258_100000698272 [1,0,0,1,0,0|1,0,0]=3 6430 B11R1.915 CCCOC1(CC1)C(=O)OC 34a_100000719341_100000210303 [1,0,0,1,0,0|1,0,0]=3 6431 B11R1.915 CCCOC1(CC1)C(=O)OC 7a_100000719341_100000210303 [1,0,0,1,0,0|1,0,0]=3 6432 B11R1.915 CCCSC1(CC1)C(=O)OC 62a_100000210303_100000698272 [1,0,0,1,0,0|1,0,0]=3 6433 B11R1.915 CCCSC1(CC1)C(=O)OC 62a_100000698272_100000210303 [1,0,0,1,0,0|1,0,0]=3 6434 B11R1.915 CCOCC1(CC1)C(=O)OC 34a_100009885095_100000210202 [1,0,0,1,0,0|1,0,0]=3 6435 B11R1.915 CCOCC1(CC1)C(=O)OC 7a_100009885095_100000210202 [1,0,0,1,0,0|1,0,0]=3 6436 B11R1.915 COC(=O)C1(CC1)COCF 34a_100009885095_100015361967 [1,0,0,1,0,0|2,0,0]=4 6437 B11R1.915 COC(=O)C1(CC1)COCF 7a_100009885095_100015361967 [1,0,0,1,0,0|2,0,0]=4 6438 B11R1.915 COC(=O)C1(CC1)NCCF 34a_100000724931_100000698272 [1,0,0,1,0,0|2,0,0]=4 6439 B11R1.915 COC(=O)C1(CC1)NCCO 34a_100016990907_100000698272 [1,0,0,1,0,0|2,0,0]=4 6440 B11R1.915 COC(=O)C1(CC1)OCCBr 34a_100000211926_100000698272 [1,0,0,1,0,0|2,0,0]=4 6441 B11R1.915 COC(=O)C1(CC1)OCCF 34a_100000719341_100011217306 [1,0,0,1,0,0|2,0,0]=4 6442 B11R1.915 COC(=O)C1(CC1)OCCF 7a_100000719341_100011217306 [1,0,0,1,0,0|2,0,0]=4 6443 B11R1.915 COC(=O)C1(CC1)OCCN 34a_100000210304_100000698272 [1,0,0,1,0,0|2,0,0]=4 6444 B11R1.915 COC(=O)C1(CC1)OCCO 34a_100000719341_100000211926 [1,0,0,1,0,0|2,0,0]=4 6445 B11R1.915 COC(=O)C1(CC1)OCCO 7a_100000719341_100000211926 [1,0,0,1,0,0|2,0,0]=4 6446 B11R1.915 COC(=O)C1(CC1)OCSC 34a_100000719341_100011218213 [1,0,0,1,0,0|2,0,0]=4 6447 B11R1.915 COC(=O)C1(CC1)SCCF 62a_100000698272_100011217306 [1,0,0,1,0,0|2,0,0]=4 6448 B11R1.915 COC(=O)C1(CC1)SCCF 62a_100011217306_100000698272 [1,0,0,1,0,0|2,0,0]=4 6449 B11R1.915 COC(=O)C1(CC1)SCCO 62a_100000211926_100000698272 [1,0,0,1,0,0|2,0,0]=4 6450 B11R1.915 COC(=O)C1(CC1)SCCO 62a_100000698272_100000211926 [1,0,0,1,0,0|2,0,0]=4 6451 B11R1.915 COC(=O)C1(CC1)SCSC 62a_100000698272_100011218213 [1,0,0,1,0,0|2,0,0]=4 6452 B11R1.915 COC(=O)C1(CC1)SCSC 62a_100011218213_100000698272 [1,0,0,1,0,0|2,0,0]=4 6453 B11R1.915 COCSC1(CC1)C(=O)OC 62a_100000698272_100000766300 [1,0,0,1,0,0|2,0,0]=4 6454 B11R1.915 COCSC1(CC1)C(=O)OC 62a_100000766300_100000698272 [1,0,0,1,0,0|2,0,0]=4 6455 B11R1.1472 CCC(=O)C1(CCCC1)C#N 1458a_100000209868_100000210202 [1,0,0,1,0,0|1,0,1]=4 6456 B13R1.19 CC1CCC(CC1)CC(=O)CCF 1458a_100011215564_100011217306 [0,0,0,1,0,1|2,0,0]=4 6457 B13R1.19 CC1CCC(CC1)CC(=O)CCO 1458a_100011215564_100000211926 [0,0,0,1,0,1|2,0,0]=4 6458 B13R1.19 CC1CCC(CC1)NC(=O)CS[13CH3] 62a_100000180146_200025704644 [0,0,0,1,0,1|2,0,0]=4 6459 B13R1.19 CC1CCC(CC1)NC(=O)CS[13CH3] 62a_200025704644_100000180146 [0,0,0,1,0,1|2,0,0]=4 6460 B13R1.19 CC=CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000210699 [0,0,0,1,0,1|1,0,1]=4 6461 B13R1.19 CC=CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000210699 [0,0,0,1,0,1|1,0,1]=4 6462 B13R1.19 CCCC(=O)C=C1CCC(CC1)C 1458a_100000756110_100000210303 [0,0,0,1,0,1|1,0,1]=4 6463 B13R1.19 CCCC(=O)CC1CCC(CC1)C 1458a_100011215564_100000210303 [0,0,0,1,0,1|1,0,0]=3 6464 B13R1.19 CCCC(=O)CC1CCC(CC1)O 1458a_100012184027_100000210303 [0,0,0,1,0,1|2,0,0]=4 6465 B13R1.19 CCCC(=O)CC1CCN(CC1)C 1458a_100000700355_100000210303 [0,0,0,1,0,1|2,0,0]=4 6466 B13R1.19 CCCC(=O)CN1CCC(CC1)C 1458a_100000238061_100000210303 [0,0,0,1,0,1|2,0,0]=4 6467 B13R1.19 CCCC(=O)CN1CCC(CC1)C 2230a_100000188429_100000747444 [0,0,0,1,0,1|2,0,0]=4 6468 B13R1.19 CCCC(=O)CN1CCC(CC1)C 269982a_100000188429_100000747444 [0,0,0,1,0,1|2,0,0]=4 6469 B13R1.19 CCCC(=O)NC1CCN(CC1)C 11a_100000198570_100000211992 [0,0,0,1,0,1|2,0,0]=4 6470 B13R1.19 CCCC(=O)NC1CCN(CC1)C 240690a_100000198570_100000211992 [0,0,0,1,0,1|2,0,0]=4 6471 B13R1.19 CCCC(=O)NC1CCN(CC1)C 527a_100000198570_100000211992 [0,0,0,1,0,1|2,0,0]=4 6472 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000211992 [0,0,0,1,0,1|1,0,0]=3 6473 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000211992 [0,0,0,1,0,1|1,0,0]=3 6474 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000211992 [0,0,0,1,0,1|1,0,0]=3 6475 B13R1.19 CCCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000211992 [0,0,0,1,0,1|2,0,0]=4 6476 B13R1.19 CCCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000211992 [0,0,0,1,0,1|2,0,0]=4 6477 B13R1.19 CCNC(=O)C=C1CCC(CC1)C 11a_100015525214_100000756110 [0,0,0,1,0,1|1,0,1]=4 6478 B13R1.19 CCNC(=O)C=C1CCC(CC1)C 240690a_100015525214_100000756110 [0,0,0,1,0,1|1,0,1]=4 6479 B13R1.19 CCNC(=O)CC1CCC(CC1)C 11a_100015525214_100011215564 [0,0,0,1,0,1|1,0,0]=3 6480 B13R1.19 CCNC(=O)CC1CCC(CC1)C 240690a_100015525214_100011215564 [0,0,0,1,0,1|1,0,0]=3 6481 B13R1.19 CCNC(=O)CC1CCC(CC1)C 527a_100015525214_100011215564 [0,0,0,1,0,1|1,0,0]=3 6482 B13R1.19 CCNC(=O)CC1CCC(CC1)O 240690a_100015525214_100012184027 [0,0,0,1,0,1|2,0,0]=4 6483 B13R1.19 CCNC(=O)CC1CCC(CC1)O 527a_100015525214_100012184027 [0,0,0,1,0,1|2,0,0]=4 6484 B13R1.19 CCNC(=O)CC1CCN(CC1)C 11a_100015525214_100000700355 [0,0,0,1,0,1|2,0,0]=4 6485 B13R1.19 CCNC(=O)CC1CCN(CC1)C 240690a_100015525214_100000700355 [0,0,0,1,0,1|2,0,0]=4 6486 B13R1.19 CCNC(=O)CN1CCC(CC1)C 11a_100015525214_100000238061 [0,0,0,1,0,1|2,0,0]=4 6487 B13R1.19 CCNC(=O)CN1CCC(CC1)C 2230a_100000188429_100000183381 [0,0,0,1,0,1|2,0,0]=4 6488 B13R1.19 CCNC(=O)CN1CCC(CC1)C 240690a_100015525214_100000238061 [0,0,0,1,0,1|2,0,0]=4 6489 B13R1.19 CCNC(=O)CN1CCC(CC1)C 269982a_100000188429_100000183381 [0,0,0,1,0,1|2,0,0]=4 6490 B13R1.19 CCNC(=O)CN1CCC(CC1)C 34a_100000188429_100000183381 [0,0,0,1,0,1|2,0,0]=4 6491 B13R1.19 CCNC(=O)CN1CCC(CC1)C 527a_100015525214_100000238061 [0,0,0,1,0,1|2,0,0]=4 6492 B13R1.19 CCNC(=O)NC1CCN(CC1)C 2708a_100000198570_100015525214 [0,0,0,1,0,1|2,0,0]=4 6493 B13R1.19 CCNC(=O)NC1CCN(CC1)C 2708a_100015525214_100000198570 [0,0,0,1,0,1|2,0,0]=4 6494 B13R1.19 CCNC(=O)NC1CCN(CC1)C 273464a_100000198570_100015525214 [0,0,0,1,0,1|2,0,0]=4 6495 B13R1.19 CCNC(=O)NC1CCN(CC1)C 273464a_100015525214_100000198570 [0,0,0,1,0,1|2,0,0]=4 6496 B13R1.19 CCNC(=O)NC1CCN(CC1)C 512a_100000198570_100015525214 [0,0,0,1,0,1|2,0,0]=4 6497 B13R1.19 CCNC(=O)NC1CCN(CC1)C 512a_100015525214_100000198570 [0,0,0,1,0,1|2,0,0]=4 6498 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100015525214_100020625639 [0,0,0,1,0,1|1,0,0]=3 6499 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100020625639_100015525214 [0,0,0,1,0,1|1,0,0]=3 6500 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100015525214_100020625639 [0,0,0,1,0,1|1,0,0]=3 6501 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100020625639_100015525214 [0,0,0,1,0,1|1,0,0]=3 6502 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100015525214_100020628982 [0,0,0,1,0,1|2,0,0]=4 6503 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100020628982_100015525214 [0,0,0,1,0,1|2,0,0]=4 6504 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100015525214_100020628982 [0,0,0,1,0,1|2,0,0]=4 6505 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100020628982_100015525214 [0,0,0,1,0,1|2,0,0]=4 6506 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 512a_100015525214_100020628982 [0,0,0,1,0,1|2,0,0]=4 6507 B13R1.19 CCOC(=O)CC1CCN(CC1)C 2230a_100015189868_200000210301 [0,0,0,1,0,1|1,0,0]=3 6508 B13R1.19 CCOC(=O)CC1CCN(CC1)C 269982a_100015189868_200000210301 [0,0,0,1,0,1|1,0,0]=3 6509 B13R1.19 CCOC(=O)CC1CCN(CC1)[13CH3] 2230a_100015189868_200025704644 [0,0,0,1,0,1|1,0,0]=3 6510 B13R1.19 CCOC(=O)CC1CCN(CC1)[13CH3] 269982a_100015189868_200025704644 [0,0,0,1,0,1|1,0,0]=3 6511 B13R1.19 CCOC(=O)CN1CCC(CC1)C 2230a_100000188429_100000188475 [0,0,0,1,0,1|1,0,0]=3 6512 B13R1.19 CCOC(=O)CN1CCC(CC1)C 269982a_100000188429_100000188475 [0,0,0,1,0,1|1,0,0]=3 6513 B13R1.19 CCOC(=O)CN1CCC(CC1)C 34a_100000188429_100000188475 [0,0,0,1,0,1|1,0,0]=3 6514 B13R1.19 CCOC(=O)CN1CCC(CC1)F 2230a_100015193889_100000188475 [0,0,0,1,0,1|2,0,0]=4 6515 B13R1.19 CCOC(=O)CN1CCC(CC1)F 269982a_100015193889_100000188475 [0,0,0,1,0,1|2,0,0]=4 6516 B13R1.19 CCOC(=O)CN1CCC(CC1)F 34a_100015193889_100000188475 [0,0,0,1,0,1|2,0,0]=4 6517 B13R1.19 CCOC(=O)CN1CCC(CC1)O 2230a_100025773856_100000188475 [0,0,0,1,0,1|2,0,0]=4 6518 B13R1.19 CCOC(=O)CN1CCC(CC1)O 269982a_100025773856_100000188475 [0,0,0,1,0,1|2,0,0]=4 6519 B13R1.19 CCOC(=O)CN1CCN(CC1)C 2230a_100000188432_100000188475 [0,0,0,1,0,1|2,0,0]=4 6520 B13R1.19 CCOC(=O)CN1CCN(CC1)C 2230a_100000234358_200000210301 [0,0,0,1,0,1|2,0,0]=4 6521 B13R1.19 CCOC(=O)CN1CCN(CC1)C 269982a_100000188432_100000188475 [0,0,0,1,0,1|2,0,0]=4 6522 B13R1.19 CCOC(=O)CN1CCN(CC1)C 269982a_100000234358_200000210301 [0,0,0,1,0,1|2,0,0]=4 6523 B13R1.19 CCOC(=O)CN1CCN(CC1)[13CH3] 2230a_100000234358_200025704644 [0,0,0,1,0,1|2,0,0]=4 6524 B13R1.19 CCOC(=O)CN1CCN(CC1)[13CH3] 269982a_100000234358_200025704644 [0,0,0,1,0,1|2,0,0]=4 6525 B13R1.19 CCOC(=O)NC1CCN(CC1)C 2230a_100011206634_200000210301 [0,0,0,1,0,1|1,0,0]=3 6526 B13R1.19 CCOC(=O)NC1CCN(CC1)C 269982a_100011206634_200000210301 [0,0,0,1,0,1|1,0,0]=3 6527 B13R1.19 CCOC(=O)NC1CCN(CC1)[13CH3] 2230a_100011206634_200025704644 [0,0,0,1,0,1|1,0,0]=3 6528 B13R1.19 CCOC(=O)NC1CCN(CC1)[13CH3] 269982a_100011206634_200025704644 [0,0,0,1,0,1|1,0,0]=3 6529 B13R1.19 CNCC(=O)NC1CCC(CC1)C 2230a_106832991635_100000180146 [0,0,0,1,0,1|2,0,0]=4 6530 B13R1.19 CNCC(=O)NC1CCC(CC1)C 34a_100102657272_100000180146 [0,0,0,1,0,1|2,0,0]=4 6531 B13R1.19 CNCC(=O)NC1CCC(CC1)C 7a_106832991635_100000180146 [0,0,0,1,0,1|2,0,0]=4 6532 B13R1.19 CNNC(=O)CC1CCC(CC1)C 22a_100016993582_100011215564 [0,0,0,1,0,1|2,0,0]=4 6533 B13R1.19 CNNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100020625639_100016993582 [0,0,0,1,0,1|2,0,0]=4 6534 B13R1.19 COCC(=O)NC1CCC(CC1)C 34a_100138415774_100000180146 [0,0,0,1,0,1|2,0,0]=4 6535 B13R1.19 COCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000210968 [0,0,0,1,0,1|2,0,0]=4 6536 B13R1.19 COCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000210968 [0,0,0,1,0,1|2,0,0]=4 6537 B13R1.19 COCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000210968 [0,0,0,1,0,1|2,0,0]=4 6538 B13R1.19 CSCC(=O)NC1CCC(CC1)C 62a_100000180146_200000210301 [0,0,0,1,0,1|2,0,0]=4 6539 B13R1.19 CSCC(=O)NC1CCC(CC1)C 62a_200000210301_100000180146 [0,0,0,1,0,1|2,0,0]=4 6540 B13R1.19 CSCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000184570 [0,0,0,1,0,1|2,0,0]=4 6541 B13R1.19 CSCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000184570 [0,0,0,1,0,1|2,0,0]=4 6542 B13R1.19 CSCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000184570 [0,0,0,1,0,1|2,0,0]=4 6543 B13R1.19 C[C@H]1CC[C@@H](CC1)NC(=O)CCO 240690a_100020625639_100011216618 [0,0,0,1,0,1|2,0,0]=4 6544 B13R1.223 CCOC(=O)CN1CCC1COC 2230a_100015195929_100000188475 [0,0,0,1,0,1|2,0,0]=4 6545 B13R1.223 CCOC(=O)CN1CCC1COC 269982a_100015195929_100000188475 [0,0,0,1,0,1|2,0,0]=4 6546 B13R1.223 CCOC(=O)CN1CCC1COC 34a_100015195929_100000188475 [0,0,0,1,0,1|2,0,0]=4 6547 B13R1.372 CCCCC(CC)OC1CCCO1 34a_100000085407_200011216223 [0,0,0,1,0,1|1,0,1]=4 6548 B13R1.464 CC=CC(=O)N1CCCCC1CC 11a_100000210034_100000210699 [0,0,0,1,0,1|1,0,1]=4 6549 B13R1.464 CC=CC(=O)N1CCCCC1CC 1626a_100000210034_100000210699 [0,0,0,1,0,1|1,0,1]=4 6550 B13R1.464 CC=CC(=O)N1CCCCC1CC 240690a_100000210034_100000210699 [0,0,0,1,0,1|1,0,1]=4 6551 B13R1.464 CCC1CCCCN1C(=O)CCO 240690a_100000210034_100011216618 [0,0,0,1,0,1|2,0,0]=4 6552 B13R1.464 CCC1CCCCN1C(=O)CNC 2230a_106832991635_100000183412 [0,0,0,1,0,1|2,0,0]=4 6553 B13R1.464 CCC1CCCCN1C(=O)CNC 34a_100102657272_100000183412 [0,0,0,1,0,1|2,0,0]=4 6554 B13R1.464 CCC1CCCCN1C(=O)CNC 7a_106832991635_100000183412 [0,0,0,1,0,1|2,0,0]=4 6555 B13R1.464 CCC1CCCCN1C(=O)COC 11a_100000210034_100000210968 [0,0,0,1,0,1|2,0,0]=4 6556 B13R1.464 CCC1CCCCN1C(=O)COC 1626a_100000210034_100000210968 [0,0,0,1,0,1|2,0,0]=4 6557 B13R1.464 CCC1CCCCN1C(=O)COC 240690a_100000210034_100000210968 [0,0,0,1,0,1|2,0,0]=4 6558 B13R1.464 CCC1CCCCN1C(=O)COC 34a_100138415774_100000183412 [0,0,0,1,0,1|2,0,0]=4 6559 B13R1.464 CCC1CCCCN1C(=O)COC 527a_100000210034_100000210968 [0,0,0,1,0,1|2,0,0]=4 6560 B13R1.464 CCC1CCCCN1C(=O)CSC 11a_100000210034_100000184570 [0,0,0,1,0,1|2,0,0]=4 6561 B13R1.464 CCC1CCCCN1C(=O)CSC 1626a_100000210034_100000184570 [0,0,0,1,0,1|2,0,0]=4 6562 B13R1.464 CCC1CCCCN1C(=O)CSC 240690a_100000210034_100000184570 [0,0,0,1,0,1|2,0,0]=4 6563 B13R1.464 CCC1CCCCN1C(=O)CSC 527a_100000210034_100000184570 [0,0,0,1,0,1|2,0,0]=4 6564 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_100000183412_200000210301 [0,0,0,1,0,1|2,0,0]=4 6565 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_200000210301_100000183412 [0,0,0,1,0,1|2,0,0]=4 6566 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_100000183412_200025704644 [0,0,0,1,0,1|2,0,0]=4 6567 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000183412 [0,0,0,1,0,1|2,0,0]=4 6568 B13R1.464 CCCC(=O)C1CCCCN1CC 1458a_100000743832_100000210303 [0,0,0,1,0,1|2,0,0]=4 6569 B13R1.464 CCCC(=O)N1CCCCC1CC 11a_100000210034_100000211992 [0,0,0,1,0,1|1,0,0]=3 6570 B13R1.464 CCCC(=O)N1CCCCC1CC 1626a_100000210034_100000211992 [0,0,0,1,0,1|1,0,0]=3 6571 B13R1.464 CCCC(=O)N1CCCCC1CC 240690a_100000210034_100000211992 [0,0,0,1,0,1|1,0,0]=3 6572 B13R1.464 CCCC(=O)N1CCCCC1CC 527a_100000210034_100000211992 [0,0,0,1,0,1|1,0,0]=3 6573 B13R1.464 CCCC(=O)N1CCCCC1CO 240690a_100000210821_100000211992 [0,0,0,1,0,1|2,0,0]=4 6574 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000211992 [0,0,0,1,0,1|2,0,0]=4 6575 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000211992 [0,0,0,1,0,1|2,0,0]=4 6576 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000211992 [0,0,0,1,0,1|2,0,0]=4 6577 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000211992 [0,0,0,1,0,1|2,0,0]=4 6578 B13R1.464 CCNC(=O)C1CCCCN1CC 11a_100015525214_100000743832 [0,0,0,1,0,1|2,0,0]=4 6579 B13R1.464 CCNC(=O)C1CCCCN1CC 240690a_100015525214_100000743832 [0,0,0,1,0,1|2,0,0]=4 6580 B13R1.464 CCNC(=O)C1CCCCN1CC 527a_100015525214_100000743832 [0,0,0,1,0,1|2,0,0]=4 6581 B13R1.464 CCNC(=O)N1CCCCC1CC 2708a_100015525214_100000210034 [0,0,0,1,0,1|1,0,0]=3 6582 B13R1.464 CCNC(=O)N1CCCCC1CC 273464a_100015525214_100000210034 [0,0,0,1,0,1|1,0,0]=3 6583 B13R1.464 CCNC(=O)N1CCCCC1CO 2708a_100015525214_100000210821 [0,0,0,1,0,1|2,0,0]=4 6584 B13R1.464 CCNC(=O)N1CCCCC1CO 273464a_100015525214_100000210821 [0,0,0,1,0,1|2,0,0]=4 6585 B13R1.464 CCNC(=O)N1CCOC[C@@H]1CC 2708a_100015525214_100016988097 [0,0,0,1,0,1|2,0,0]=4 6586 B13R1.464 CCNC(=O)N1CCOC[C@@H]1CC 273464a_100015525214_100016988097 [0,0,0,1,0,1|2,0,0]=4 6587 B13R1.464 CCOC(=O)C1CCCCC1OC 7a_100000038711_200000210301 [0,0,0,1,0,1|1,0,0]=3 6588 B13R1.464 CCOC(=O)C1CCCCC1O[13CH3] 7a_100000038711_200025704644 [0,0,0,1,0,1|1,0,0]=3 6589 B13R1.464 CCOC(=O)C1CCCCN1CC 2230a_100016990872_100000210202 [0,0,0,1,0,1|1,0,0]=3 6590 B13R1.464 CCOC(=O)C1CCCCN1CC 269982a_100016990872_100000204670 [0,0,0,1,0,1|1,0,0]=3 6591 B13R1.464 CCOC(=O)C1CCCCN1CF 269982a_100016990872_100015361967 [0,0,0,1,0,1|2,0,0]=4 6592 B13R1.464 CCOC(=O)C1CSCCN1CC 2230a_100000735462_100000210202 [0,0,0,1,0,1|2,0,0]=4 6593 B13R1.464 CCOC(=O)C1CSCCN1CC 269982a_100000735462_100000204670 [0,0,0,1,0,1|2,0,0]=4 6594 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 2230a_100015229691_100000210202 [0,0,0,1,0,1|2,0,0]=4 6595 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 269982a_100015229691_100000204670 [0,0,0,1,0,1|2,0,0]=4 6596 B13R1.470 CC1CCCCC1NC(=O)CCO 240690a_100000211402_100011216618 [0,0,0,1,0,1|2,0,0]=4 6597 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_100000182742_200025704644 [0,0,0,1,0,1|2,0,0]=4 6598 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_200025704644_100000182742 [0,0,0,1,0,1|2,0,0]=4 6599 B13R1.470 CC=CC(=O)NC1CCCCC1C 11a_100000211402_100000210699 [0,0,0,1,0,1|1,0,1]=4 6600 B13R1.470 CC=CC(=O)NC1CCCCC1C 1626a_100000211402_100000210699 [0,0,0,1,0,1|1,0,1]=4 6601 B13R1.470 CC=CC(=O)NC1CCCCC1C 240690a_100000211402_100000210699 [0,0,0,1,0,1|1,0,1]=4 6602 B13R1.470 CCCC(=O)CC1CCCCN1C 1458a_100000211992_100015185383 [0,0,0,1,0,1|2,0,0]=4 6603 B13R1.470 CCCC(=O)CN1CCCCC1C 2230a_100000211376_100000747444 [0,0,0,1,0,1|2,0,0]=4 6604 B13R1.470 CCCC(=O)CN1CCCCC1C 269982a_100000211376_100000747444 [0,0,0,1,0,1|2,0,0]=4 6605 B13R1.470 CCCC(=O)NC1CCCCC1C 11a_100000211402_100000211992 [0,0,0,1,0,1|1,0,0]=3 6606 B13R1.470 CCCC(=O)NC1CCCCC1C 1626a_100000211402_100000211992 [0,0,0,1,0,1|1,0,0]=3 6607 B13R1.470 CCCC(=O)NC1CCCCC1C 240690a_100000211402_100000211992 [0,0,0,1,0,1|1,0,0]=3 6608 B13R1.470 CCCC(=O)NC1CCCCC1C 527a_100000211402_100000211992 [0,0,0,1,0,1|1,0,0]=3 6609 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000211992 [0,0,0,1,0,1|2,0,0]=4 6610 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000211992 [0,0,0,1,0,1|2,0,0]=4 6611 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000211992 [0,0,0,1,0,1|2,0,0]=4 6612 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000211992 [0,0,0,1,0,1|2,0,0]=4 6613 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000211992 [0,0,0,1,0,1|2,0,0]=4 6614 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000211992 [0,0,0,1,0,1|2,0,0]=4 6615 B13R1.470 CCNC(=O)CN1CCCCC1C 2230a_100000211376_100000183381 [0,0,0,1,0,1|2,0,0]=4 6616 B13R1.470 CCNC(=O)CN1CCCCC1C 269982a_100000211376_100000183381 [0,0,0,1,0,1|2,0,0]=4 6617 B13R1.470 CCNC(=O)CN1CCCCC1C 34a_100000211376_100000183381 [0,0,0,1,0,1|2,0,0]=4 6618 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100000211402_100015525214 [0,0,0,1,0,1|1,0,0]=3 6619 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100015525214_100000211402 [0,0,0,1,0,1|1,0,0]=3 6620 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100000211402_100015525214 [0,0,0,1,0,1|1,0,0]=3 6621 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100015525214_100000211402 [0,0,0,1,0,1|1,0,0]=3 6622 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100000211402_100015525214 [0,0,0,1,0,1|1,0,0]=3 6623 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100015525214_100000211402 [0,0,0,1,0,1|1,0,0]=3 6624 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@@H]1O 2708a_100015525214_100015191688 [0,0,0,1,0,1|2,0,0]=4 6625 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@@H]1O 273464a_100015525214_100015191688 [0,0,0,1,0,1|2,0,0]=4 6626 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015195156_100015525214 [0,0,0,1,0,1|2,0,0]=4 6627 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015525214_100015195156 [0,0,0,1,0,1|2,0,0]=4 6628 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015195156_100015525214 [0,0,0,1,0,1|2,0,0]=4 6629 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015525214_100015195156 [0,0,0,1,0,1|2,0,0]=4 6630 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015195156_100015525214 [0,0,0,1,0,1|2,0,0]=4 6631 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015525214_100015195156 [0,0,0,1,0,1|2,0,0]=4 6632 B13R1.470 CCOC(=O)CC1CCCCN1C 2230a_100116209990_200000210301 [0,0,0,1,0,1|1,0,0]=3 6633 B13R1.470 CCOC(=O)CC1CCCCN1C 269982a_100116209990_200000210301 [0,0,0,1,0,1|1,0,0]=3 6634 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 2230a_100116209990_200025704644 [0,0,0,1,0,1|1,0,0]=3 6635 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 269982a_100116209990_200025704644 [0,0,0,1,0,1|1,0,0]=3 6636 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [0,0,0,1,0,1|1,0,0]=3 6637 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [0,0,0,1,0,1|1,0,0]=3 6638 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [0,0,0,1,0,1|1,0,0]=3 6639 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000188475 [0,0,0,1,0,1|2,0,0]=4 6640 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000188475 [0,0,0,1,0,1|2,0,0]=4 6641 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000188475 [0,0,0,1,0,1|2,0,0]=4 6642 B13R1.470 CNCC(=O)NC1CCCCC1C 2230a_106832991635_100000182742 [0,0,0,1,0,1|2,0,0]=4 6643 B13R1.470 CNCC(=O)NC1CCCCC1C 34a_100102657272_100000182742 [0,0,0,1,0,1|2,0,0]=4 6644 B13R1.470 CNCC(=O)NC1CCCCC1C 7a_106832991635_100000182742 [0,0,0,1,0,1|2,0,0]=4 6645 B13R1.470 CNNC(=O)NC1CCCCC1C 273464a_100000211402_100016993582 [0,0,0,1,0,1|2,0,0]=4 6646 B13R1.470 CNNC(=O)NC1CCCCC1C 512a_100000211402_100016993582 [0,0,0,1,0,1|2,0,0]=4 6647 B13R1.470 CNNC(=O)NC1CCCCC1C 512a_100016993582_100000211402 [0,0,0,1,0,1|2,0,0]=4 6648 B13R1.470 COCC(=O)NC1CCCCC1C 11a_100000211402_100000210968 [0,0,0,1,0,1|2,0,0]=4 6649 B13R1.470 COCC(=O)NC1CCCCC1C 1626a_100000211402_100000210968 [0,0,0,1,0,1|2,0,0]=4 6650 B13R1.470 COCC(=O)NC1CCCCC1C 240690a_100000211402_100000210968 [0,0,0,1,0,1|2,0,0]=4 6651 B13R1.470 COCC(=O)NC1CCCCC1C 34a_100138415774_100000182742 [0,0,0,1,0,1|2,0,0]=4 6652 B13R1.470 COCC(=O)NC1CCCCC1C 527a_100000211402_100000210968 [0,0,0,1,0,1|2,0,0]=4 6653 B13R1.470 CSCC(=O)NC1CCCCC1C 11a_100000211402_100000184570 [0,0,0,1,0,1|2,0,0]=4 6654 B13R1.470 CSCC(=O)NC1CCCCC1C 1626a_100000211402_100000184570 [0,0,0,1,0,1|2,0,0]=4 6655 B13R1.470 CSCC(=O)NC1CCCCC1C 240690a_100000211402_100000184570 [0,0,0,1,0,1|2,0,0]=4 6656 B13R1.470 CSCC(=O)NC1CCCCC1C 527a_100000211402_100000184570 [0,0,0,1,0,1|2,0,0]=4 6657 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_100000182742_200000210301 [0,0,0,1,0,1|2,0,0]=4 6658 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_200000210301_100000182742 [0,0,0,1,0,1|2,0,0]=4 6659 B13R1.577 CCCCN1CCN(C(=O)C1)CC 2230a_100000701330_100000210211 [0,0,0,1,0,1|2,0,0]=4 6660 B13R1.577 CCCCN1CCN(C(=O)C1)CC 269982a_100000701330_100000210211 [0,0,0,1,0,1|2,0,0]=4 6661 B13R1.689 CCCC(=O)CC1CCN(C1)CC 1458a_100000211992_100015184589 [0,0,0,1,0,1|2,0,0]=4 6662 B13R1.689 CCCC(=O)NC1CCN(C1)CC 11a_100015188829_100000211992 [0,0,0,1,0,1|2,0,0]=4 6663 B13R1.689 CCCC(=O)NC1CCN(C1)CC 1626a_100015188829_100000211992 [0,0,0,1,0,1|2,0,0]=4 6664 B13R1.689 CCCC(=O)NC1CCN(C1)CC 240690a_100015188829_100000211992 [0,0,0,1,0,1|2,0,0]=4 6665 B13R1.689 CCCC(=O)NC1CCN(C1)CC 527a_100015188829_100000211992 [0,0,0,1,0,1|2,0,0]=4 6666 B13R1.689 CCNC(=O)NC1CCN(C1)CC 2708a_100015188829_100015525214 [0,0,0,1,0,1|2,0,0]=4 6667 B13R1.689 CCNC(=O)NC1CCN(C1)CC 2708a_100015525214_100015188829 [0,0,0,1,0,1|2,0,0]=4 6668 B13R1.689 CCNC(=O)NC1CCN(C1)CC 273464a_100015188829_100015525214 [0,0,0,1,0,1|2,0,0]=4 6669 B13R1.689 CCNC(=O)NC1CCN(C1)CC 273464a_100015525214_100015188829 [0,0,0,1,0,1|2,0,0]=4 6670 B13R1.689 CCNC(=O)NC1CCN(C1)CC 512a_100015188829_100015525214 [0,0,0,1,0,1|2,0,0]=4 6671 B13R1.689 CCNC(=O)NC1CCN(C1)CC 512a_100015525214_100015188829 [0,0,0,1,0,1|2,0,0]=4 6672 B13R1.689 CCOC(=O)CN1CCC(C1)CO 2230a_100000748654_100000188475 [0,0,0,1,0,1|2,0,0]=4 6673 B13R1.689 CCOC(=O)CN1CCC(C1)CO 269982a_100000748654_100000188475 [0,0,0,1,0,1|2,0,0]=4 6674 B13R1.689 CCOC(=O)CN1CCC(C1)CO 34a_100000748654_100000188475 [0,0,0,1,0,1|2,0,0]=4 6675 B13R1.689 CCOC(=O)CN1CC[C@H](C1)OC 2230a_100000766984_100000188475 [0,0,0,1,0,1|2,0,0]=4 6676 B13R1.689 CCOC(=O)CN1CC[C@H](C1)OC 269982a_100000766984_100000188475 [0,0,0,1,0,1|2,0,0]=4 6677 B13R1.689 CCOC(=O)C[C@H]1CCN(C1)CC 2230a_106256037354_100000210202 [0,0,0,1,0,1|1,0,0]=3 6678 B13R1.689 CCOC(=O)C[C@H]1CCN(C1)CC 269982a_106256037354_100000204670 [0,0,0,1,0,1|1,0,0]=3 6679 B13R1.689 CCOC(=O)C[C@H]1CCN(C1)CF 269982a_106256037354_100015361967 [0,0,0,1,0,1|2,0,0]=4 6680 B13R1.1575 CC#CC(=O)CC1CCCCCC1 1458a_100000763181_200000696569 [0,0,0,1,0,1|1,0,1]=4 6681 B13R1.1575 CC=CC(=O)CC1CCCCCC1 1458a_100000210699_200000696569 [0,0,0,1,0,1|1,0,1]=4 6682 B13R1.1575 CC=CC(=O)NC1CCCCCC1 11a_100000210984_100000210699 [0,0,0,1,0,1|1,0,1]=4 6683 B13R1.1575 CC=CC(=O)NC1CCCCCC1 1626a_100000210984_100000210699 [0,0,0,1,0,1|1,0,1]=4 6684 B13R1.1575 CC=CC(=O)NC1CCCCCC1 240690a_100000210984_100000210699 [0,0,0,1,0,1|1,0,1]=4 6685 B13R1.1575 CCCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210303 [0,0,0,1,0,1|1,0,1]=4 6686 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [0,0,0,1,0,1|1,0,0]=3 6687 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [0,0,0,1,0,1|1,0,0]=3 6688 B13R1.1575 CCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210303 [0,0,0,1,0,1|2,0,0]=4 6689 B13R1.1575 CCCC(=O)CN1CCCCCC1 2230a_100000185865_100000747444 [0,0,0,1,0,1|2,0,0]=4 6690 B13R1.1575 CCCC(=O)CN1CCCCCC1 269982a_100000185865_100000747444 [0,0,0,1,0,1|2,0,0]=4 6691 B13R1.1575 CCCC(=O)NC1CCCCCC1 11a_100000210984_100000211992 [0,0,0,1,0,1|1,0,0]=3 6692 B13R1.1575 CCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211992 [0,0,0,1,0,1|1,0,0]=3 6693 B13R1.1575 CCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211992 [0,0,0,1,0,1|1,0,0]=3 6694 B13R1.1575 CCCC(=O)NC1CCCCCC1 527a_100000210984_100000211992 [0,0,0,1,0,1|1,0,0]=3 6695 B13R1.1575 CCNC(=O)C=C1CCCCCC1 11a_100015525214_100011240665 [0,0,0,1,0,1|1,0,1]=4 6696 B13R1.1575 CCNC(=O)C=C1CCCCCC1 240690a_100015525214_100011240665 [0,0,0,1,0,1|1,0,1]=4 6697 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [0,0,0,1,0,1|1,0,0]=3 6698 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [0,0,0,1,0,1|1,0,0]=3 6699 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [0,0,0,1,0,1|1,0,0]=3 6700 B13R1.1575 CCNC(=O)CN1CCCCCC1 11a_100015525214_100000740298 [0,0,0,1,0,1|2,0,0]=4 6701 B13R1.1575 CCNC(=O)CN1CCCCCC1 2230a_100000185865_100000183381 [0,0,0,1,0,1|2,0,0]=4 6702 B13R1.1575 CCNC(=O)CN1CCCCCC1 240690a_100015525214_100000740298 [0,0,0,1,0,1|2,0,0]=4 6703 B13R1.1575 CCNC(=O)CN1CCCCCC1 269982a_100000185865_100000183381 [0,0,0,1,0,1|2,0,0]=4 6704 B13R1.1575 CCNC(=O)CN1CCCCCC1 34a_100000185865_100000183381 [0,0,0,1,0,1|2,0,0]=4 6705 B13R1.1575 CCNC(=O)CN1CCCCCC1 527a_100015525214_100000740298 [0,0,0,1,0,1|2,0,0]=4 6706 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100000210984_100015525214 [0,0,0,1,0,1|1,0,0]=3 6707 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100015525214_100000210984 [0,0,0,1,0,1|1,0,0]=3 6708 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100000210984_100015525214 [0,0,0,1,0,1|1,0,0]=3 6709 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100015525214_100000210984 [0,0,0,1,0,1|1,0,0]=3 6710 B13R1.1575 CCNC(=O)NC1CCCCCC1 512a_100015525214_100000210984 [0,0,0,1,0,1|1,0,0]=3 6711 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [0,0,0,1,0,1|1,0,0]=3 6712 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [0,0,0,1,0,1|1,0,0]=3 6713 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [0,0,0,1,0,1|1,0,0]=3 6714 B13R1.1575 CCOC(=O)CN1CCCOCC1 2230a_100000685342_100000188475 [0,0,0,1,0,1|2,0,0]=4 6715 B13R1.1575 CCOC(=O)CN1CCCOCC1 269982a_100000685342_100000188475 [0,0,0,1,0,1|2,0,0]=4 6716 B13R1.1575 CCOC(=O)CN1CCCOCC1 34a_100000685342_100000188475 [0,0,0,1,0,1|2,0,0]=4 6717 B13R1.1575 CNCC(=O)NC1CCCCCC1 2230a_106832991635_100000183474 [0,0,0,1,0,1|2,0,0]=4 6718 B13R1.1575 CNCC(=O)NC1CCCCCC1 34a_100102657272_100000183474 [0,0,0,1,0,1|2,0,0]=4 6719 B13R1.1575 CNCC(=O)NC1CCCCCC1 7a_106832991635_100000183474 [0,0,0,1,0,1|2,0,0]=4 6720 B13R1.1575 CNNC(=O)CC1CCCCCC1 22a_100016993582_100000685095 [0,0,0,1,0,1|2,0,0]=4 6721 B13R1.1575 CNNC(=O)NC1CCCCCC1 273464a_100000210984_100016993582 [0,0,0,1,0,1|2,0,0]=4 6722 B13R1.1575 CNNC(=O)NC1CCCCCC1 512a_100016993582_100000210984 [0,0,0,1,0,1|2,0,0]=4 6723 B13R1.1575 COCC(=O)CC1CCCCCC1 1458a_100000210968_200000696569 [0,0,0,1,0,1|2,0,0]=4 6724 B13R1.1575 COCC(=O)NC1CCCCCC1 11a_100000210984_100000210968 [0,0,0,1,0,1|2,0,0]=4 6725 B13R1.1575 COCC(=O)NC1CCCCCC1 1626a_100000210984_100000210968 [0,0,0,1,0,1|2,0,0]=4 6726 B13R1.1575 COCC(=O)NC1CCCCCC1 240690a_100000210984_100000210968 [0,0,0,1,0,1|2,0,0]=4 6727 B13R1.1575 COCC(=O)NC1CCCCCC1 34a_100138415774_100000183474 [0,0,0,1,0,1|2,0,0]=4 6728 B13R1.1575 COCC(=O)NC1CCCCCC1 527a_100000210984_100000210968 [0,0,0,1,0,1|2,0,0]=4 6729 B13R1.1575 CSCC(=O)CC1CCCCCC1 1458a_100000184570_200000696569 [0,0,0,1,0,1|2,0,0]=4 6730 B13R1.1575 CSCC(=O)NC1CCCCCC1 11a_100000210984_100000184570 [0,0,0,1,0,1|2,0,0]=4 6731 B13R1.1575 CSCC(=O)NC1CCCCCC1 1626a_100000210984_100000184570 [0,0,0,1,0,1|2,0,0]=4 6732 B13R1.1575 CSCC(=O)NC1CCCCCC1 240690a_100000210984_100000184570 [0,0,0,1,0,1|2,0,0]=4 6733 B13R1.1575 CSCC(=O)NC1CCCCCC1 527a_100000210984_100000184570 [0,0,0,1,0,1|2,0,0]=4 6734 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_100000183474_200000210301 [0,0,0,1,0,1|2,0,0]=4 6735 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_200000210301_100000183474 [0,0,0,1,0,1|2,0,0]=4 6736 B13R1.1575 O=C(CCF)CC1CCCCCC1 1458a_100000685095_100011217306 [0,0,0,1,0,1|2,0,0]=4 6737 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100000685095_100000211926 [0,0,0,1,0,1|2,0,0]=4 6738 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100011216618_200000696569 [0,0,0,1,0,1|2,0,0]=4 6739 B13R1.1575 O=C(CCO)NC1CCCCCC1 240690a_100000210984_100011216618 [0,0,0,1,0,1|2,0,0]=4 6740 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_100000183474_200025704644 [0,0,0,1,0,1|2,0,0]=4 6741 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_200025704644_100000183474 [0,0,0,1,0,1|2,0,0]=4 6742 B13R1.1896 CCCCC(CC)CC(=O)C1CC1 1458a_100000210395_100000211942 [0,0,0,1,0,1|1,0,0]=3 6743 B13R1.1896 CCCCC(CC)CC(=O)C1CO1 1458a_100000701028_100000211942 [0,0,0,1,0,1|2,0,0]=4 6744 B13R1.1896 CCCCN(CC)CC(=O)C1CC1 2230a_100000207695_100000746382 [0,0,0,1,0,1|2,0,0]=4 6745 B13R1.1896 CCCCN(CC)CC(=O)C1CC1 269982a_100000207695_100000746382 [0,0,0,1,0,1|2,0,0]=4 6746 B13R1.1896 CCCC[C@@H](CO)NC(=O)C1CC1 240690a_100011934283_100000210395 [0,0,0,1,0,1|2,0,0]=4 6747 B13R1.1896 CCCC[C@@H](CO)NC(=O)C1CC1 527a_100011934283_100000210395 [0,0,0,1,0,1|2,0,0]=4 6748 B13R1.2555 CCCC(=O)CN(CC)C1CCC1 2230a_100000758130_100000747444 [0,0,0,1,0,1|2,0,0]=4 6749 B13R1.2555 CCCC(=O)CN(CC)C1CCC1 269982a_100000758130_100000747444 [0,0,0,1,0,1|2,0,0]=4 6750 B13R1.2555 CCNC(=O)CN(CC)C1CCC1 2230a_100000758130_100000183381 [0,0,0,1,0,1|2,0,0]=4 6751 B13R1.2555 CCNC(=O)CN(CC)C1CCC1 269982a_100000758130_100000183381 [0,0,0,1,0,1|2,0,0]=4 6752 B13R1.2555 CCOC(=O)CN(CC)C1CCC1 2230a_100000758130_100000188475 [0,0,0,1,0,1|1,0,0]=3 6753 B13R1.2555 CCOC(=O)CN(CC)C1CCC1 269982a_100000220607_100000749161 [0,0,0,1,0,1|1,0,0]=3 6754 B13R1.2555 CCOC(=O)CN(CC)C1CCC1 269982a_100000758130_100000188475 [0,0,0,1,0,1|1,0,0]=3 6755 B13R1.2555 CCOC(=O)CN(CC)C1CCC1 270004a_100000220607_100000241760 [0,0,0,1,0,1|1,0,0]=3 6756 B13R1.2555 CCOC(=O)CN(CC)C1COC1 2230a_200015199590_100000188475 [0,0,0,1,0,1|2,0,0]=4 6757 B13R1.2555 CCOC(=O)CN(CC)C1COC1 269982a_100000220607_100000687716 [0,0,0,1,0,1|2,0,0]=4 6758 B13R1.2555 CCOC(=O)CN(CC)C1COC1 269982a_200015199590_100000188475 [0,0,0,1,0,1|2,0,0]=4 6759 B13R1.2557 CCOC(=O)CN(CC)CC1CC1 2230a_100000220607_100000742324 [0,0,0,1,0,1|1,0,0]=3 6760 B13R1.2557 CCOC(=O)CN(CC)CC1CC1 269982a_100000220607_100000756562 [0,0,0,1,0,1|1,0,0]=3 6761 B13R1.2557 CCOC(=O)CN(CC)CC1CO1 2230a_100000220607_100011216344 [0,0,0,1,0,1|2,0,0]=4 6762 B13R1.2557 CCOC(=O)CN(CC)CC1CO1 269982a_100000220607_102125554688 [0,0,0,1,0,1|2,0,0]=4 6763 B13R1.2557 CCOC(=O)CN(CC)CC1CS1 269982a_100000220607_100000031435 [0,0,0,1,0,1|2,0,0]=4 6764 B13R1.2557 CCOC(=O)CN(CC)C[C@@H]1CO1 269982a_100000220607_100000745022 [0,0,0,1,0,1|2,0,0]=4 6765 B13R1.2793 CCCCN(CC)C1CCCC1=O 2230a_100000207695_100000211823 [0,0,0,1,0,1|2,0,0]=4 6766 B13R1.2793 CCCCN(CC)C1CCCC1=O 269982a_100000207695_100000211823 [0,0,0,1,0,1|2,0,0]=4 6767 B13R1.2793 CCCCN(CC)C1CCOC1=O 2230a_100000207695_100000211211 [0,0,0,1,0,1|1,0,0]=3 6768 B13R1.2793 CCCCN(CC)C1CCOC1=O 269982a_100000207695_100000211211 [0,0,0,1,0,1|1,0,0]=3 6769 B13R1.2793 CCN(CCOC)C1CCOC1=O 2230a_100000731262_100000211211 [0,0,0,1,0,1|2,0,0]=4 6770 B13R1.2793 CCN(CCOC)C1CCOC1=O 269982a_100000731262_100000211211 [0,0,0,1,0,1|2,0,0]=4 6771 B13R1.4565 CC=CC(=O)NC1(CCCC1)CC 11a_100015183760_100000210699 [0,0,0,1,0,1|1,0,1]=4 6772 B13R1.4565 CC=CC(=O)NC1(CCCC1)CC 1626a_100015183760_100000210699 [0,0,0,1,0,1|1,0,1]=4 6773 B13R1.4565 CC=CC(=O)NC1(CCCC1)CC 240690a_100015183760_100000210699 [0,0,0,1,0,1|1,0,1]=4 6774 B13R1.4565 CCC1(CCCC1)NC(=O)CCO 240690a_100015183760_100011216618 [0,0,0,1,0,1|2,0,0]=4 6775 B13R1.4565 CCC1(CCCC1)NC(=O)COC 11a_100015183760_100000210968 [0,0,0,1,0,1|2,0,0]=4 6776 B13R1.4565 CCC1(CCCC1)NC(=O)COC 1626a_100015183760_100000210968 [0,0,0,1,0,1|2,0,0]=4 6777 B13R1.4565 CCC1(CCCC1)NC(=O)COC 240690a_100015183760_100000210968 [0,0,0,1,0,1|2,0,0]=4 6778 B13R1.4565 CCC1(CCCC1)NC(=O)COC 527a_100015183760_100000210968 [0,0,0,1,0,1|2,0,0]=4 6779 B13R1.4565 CCC1(CCCC1)NC(=O)CSC 11a_100015183760_100000184570 [0,0,0,1,0,1|2,0,0]=4 6780 B13R1.4565 CCC1(CCCC1)NC(=O)CSC 1626a_100015183760_100000184570 [0,0,0,1,0,1|2,0,0]=4 6781 B13R1.4565 CCC1(CCCC1)NC(=O)CSC 240690a_100015183760_100000184570 [0,0,0,1,0,1|2,0,0]=4 6782 B13R1.4565 CCC1(CCCC1)NC(=O)CSC 527a_100015183760_100000184570 [0,0,0,1,0,1|2,0,0]=4 6783 B13R1.4565 CCC1(CCCC1)NC(=O)NNC 273464a_100015183760_100016993582 [0,0,0,1,0,1|2,0,0]=4 6784 B13R1.4565 CCCC(=O)NC1(CCCC1)CC 11a_100015183760_100000211992 [0,0,0,1,0,1|1,0,0]=3 6785 B13R1.4565 CCCC(=O)NC1(CCCC1)CC 1626a_100015183760_100000211992 [0,0,0,1,0,1|1,0,0]=3 6786 B13R1.4565 CCCC(=O)NC1(CCCC1)CC 240690a_100015183760_100000211992 [0,0,0,1,0,1|1,0,0]=3 6787 B13R1.4565 CCCC(=O)NC1(CCCC1)CC 527a_100015183760_100000211992 [0,0,0,1,0,1|1,0,0]=3 6788 B13R1.4565 CCCC(=O)NC1(CCCC1)CO 240690a_100000749328_100000211992 [0,0,0,1,0,1|2,0,0]=4 6789 B13R1.4565 CCCC(=O)NC1(CCCC1)CO 527a_100000749328_100000211992 [0,0,0,1,0,1|2,0,0]=4 6790 B13R1.4565 CCNC(=O)NC1(CCCC1)CC 2708a_100015525214_100015183760 [0,0,0,1,0,1|1,0,0]=3 6791 B13R1.4565 CCNC(=O)NC1(CCCC1)CC 273464a_100015183760_100015525214 [0,0,0,1,0,1|1,0,0]=3 6792 B13R1.4565 CCNC(=O)NC1(CCCC1)CC 273464a_100015525214_100015183760 [0,0,0,1,0,1|1,0,0]=3 6793 B13R1.4565 CCNC(=O)NC1(CCCC1)CO 2708a_100015525214_100000749328 [0,0,0,1,0,1|2,0,0]=4 6794 B13R1.4565 CCNC(=O)NC1(CCCC1)CO 273464a_100000749328_100015525214 [0,0,0,1,0,1|2,0,0]=4 6795 B13R1.4565 CCNC(=O)NC1(CCCC1)CO 273464a_100015525214_100000749328 [0,0,0,1,0,1|2,0,0]=4 6796 B13R1.5103 CCCC(=O)NC1(CC1)CCOC 11a_100020603293_100000211992 [0,0,0,1,0,1|2,0,0]=4 6797 B13R1.5103 CCCC(=O)NC1(CC1)CCOC 1626a_100020603293_100000211992 [0,0,0,1,0,1|2,0,0]=4 6798 B13R1.5103 CCCC(=O)NC1(CC1)CCOC 240690a_100020603293_100000211992 [0,0,0,1,0,1|2,0,0]=4 6799 B13R1.5103 CCCC(=O)NC1(CC1)CCOC 527a_100020603293_100000211992 [0,0,0,1,0,1|2,0,0]=4 6800 B13R1.5103 CCNC(=O)NC1(CC1)CCOC 2708a_100015525214_100020603293 [0,0,0,1,0,1|2,0,0]=4 6801 B13R1.5103 CCNC(=O)NC1(CC1)CCOC 273464a_100015525214_100020603293 [0,0,0,1,0,1|2,0,0]=4 6802 B13R1.5103 CCNC(=O)NC1(CC1)CCOC 273464a_100020603293_100015525214 [0,0,0,1,0,1|2,0,0]=4 6803 B13R1.5103 CCNC(=O)NC1(CC1)CCOC 512a_100020603293_100015525214 [0,0,0,1,0,1|2,0,0]=4 6804 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210303 [0,1,0,1,0,0|2,0,0]=4 6805 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210303 [0,1,0,1,0,0|2,0,0]=4 6806 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210303 [0,1,0,1,0,0|2,0,0]=4 6807 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210303 [0,1,0,1,0,0|1,0,0]=3 6808 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210303 [0,1,0,1,0,0|1,0,0]=3 6809 B13R1.208 CCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210303 [0,1,0,1,0,0|1,0,0]=3 6810 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCF 2230a_100000703725_100011217306 [0,1,0,1,0,0|2,0,0]=4 6811 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCF 269982a_100000703725_100011217306 [0,1,0,1,0,0|2,0,0]=4 6812 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCO 2230a_100000703725_100000211926 [0,1,0,1,0,0|2,0,0]=4 6813 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCO 269982a_100000703725_100000211926 [0,1,0,1,0,0|2,0,0]=4 6814 B13R1.208 CCOC(=O)[C@@H]1CCCN1COC 2230a_100000703725_100000766300 [0,1,0,1,0,0|2,0,0]=4 6815 B13R1.208 CCOC(=O)[C@@H]1CCCN1COC 269982a_100000703725_100000766300 [0,1,0,1,0,0|2,0,0]=4 6816 B13R1.208 CCOC(=O)[C@@H]1CCCN1CSC 2230a_100000703725_100011218213 [0,1,0,1,0,0|2,0,0]=4 6817 B13R1.208 CCOC(=O)[C@@H]1CCCN1CSC 269982a_100000703725_100011218213 [0,1,0,1,0,0|2,0,0]=4 6818 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC 7a_200015395474_100000210202 [0,1,0,1,0,0|1,0,0]=3 6819 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCF 7a_200015395474_100015361967 [0,1,0,1,0,0|2,0,0]=4 6820 B13R1.208 CCOC(=O)[C@@H]1CSCN1CCF 269982a_100016989239_100011217306 [0,1,0,1,0,0|2,0,0]=4 6821 B13R1.208 CCOC(=O)[C@@H]1CSCN1CCO 269982a_100016989239_100000211926 [0,1,0,1,0,0|2,0,0]=4 6822 B13R1.208 CCOC(=O)[C@@H]1CSCN1COC 269982a_100016989239_100000766300 [0,1,0,1,0,0|2,0,0]=4 6823 B13R1.208 CCOC(=O)[C@@H]1CSCN1CSC 269982a_100016989239_100011218213 [0,1,0,1,0,0|2,0,0]=4 6824 B13R1.449 CCC(C(=O)CCF)N1CCCC1 1458a_200015187815_100011217306 [0,1,0,1,0,0|2,0,0]=4 6825 B13R1.449 CCC(C(=O)CCO)N1CCCC1 1458a_200015187815_100000211926 [0,1,0,1,0,0|2,0,0]=4 6826 B13R1.449 CCC(C(=O)NNC)N1CCCC1 22a_100016993582_200015187815 [0,1,0,1,0,0|2,0,0]=4 6827 B13R1.449 CCCC(=O)C(CC)N1CCCC1 1458a_200015187815_100000210303 [0,1,0,1,0,0|1,0,0]=3 6828 B13R1.449 CCNC(=O)C(CC)N1CCCC1 240690a_100015525214_200015187815 [0,1,0,1,0,0|1,0,0]=3 6829 B13R1.449 CCOC(=O)C(CC)N1CC=CC1 269982a_100015195280_100000212269 [0,1,0,1,0,0|0,0,2]=4 6830 B13R1.449 CCOC(=O)C(CC)N1CCCC1 2230a_100000188435_100000212269 [0,1,0,1,0,0|0,0,0]=2 6831 B13R1.449 CCOC(=O)C(CC)N1CCCC1 269982a_100000188435_100000212269 [0,1,0,1,0,0|0,0,0]=2 6832 B13R1.449 CCOC(=O)C(CC)N1CCSC1 2230a_100011215254_100000212269 [0,1,0,1,0,0|1,0,0]=3 6833 B13R1.449 CCOC(=O)C(CC)N1CCSC1 269982a_100011215254_100000212269 [0,1,0,1,0,0|1,0,0]=3 6834 B13R1.449 CCOC(=O)C(SC)N1CCCC1 269982a_100000188435_100009893047 [0,1,0,1,0,0|1,0,0]=3 6835 B13R1.449 CCOC(=O)C(SC)N1CCSC1 269982a_100011215254_100009893047 [0,1,0,1,0,0|2,0,0]=4 6836 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [0,1,0,1,0,0|1,0,1]=4 6837 B13R1.463 CCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210303 [0,1,0,1,0,0|2,0,0]=4 6838 B13R1.463 CCCC(=O)C1CCCCNC1=O 1458a_100000211992_100000735217 [0,1,0,1,0,0|1,0,1]=4 6839 B13R1.463 CCCN(C)C1CCCCCC1=O 269982a_100000747261_100000243696 [0,1,0,1,0,0|2,0,0]=4 6840 B13R1.463 CCCN(C)C1CCCCNC1=O 2230a_100000747261_100000735217 [0,1,0,1,0,0|2,0,0]=4 6841 B13R1.463 CCCN(C)C1CCCCNC1=O 269982a_100000747261_100000735217 [0,1,0,1,0,0|2,0,0]=4 6842 B13R1.463 CCNC(=O)C1CCCCCN1C 240690a_100015525214_100015187800 [0,1,0,1,0,0|2,0,0]=4 6843 B13R1.463 CCNC(=O)C1CCCCCN1C 527a_100015525214_100015187800 [0,1,0,1,0,0|2,0,0]=4 6844 B13R1.1492 CCOC(=O)C(CC)N1CC(C1)C 2230a_100000702820_100000212269 [0,1,0,1,0,0|1,0,0]=3 6845 B13R1.1492 CCOC(=O)C(CC)N1CC(C1)C 269982a_100000702820_100000212269 [0,1,0,1,0,0|1,0,0]=3 6846 B13R1.1492 CCOC(=O)C(CC)N1CC(C1)C 34a_100000702820_100000212269 [0,1,0,1,0,0|1,0,0]=3 6847 B13R1.1492 CCOC(=O)C(CC)N1CC(C1)F 2230a_100000690557_100000212269 [0,1,0,1,0,0|1,0,0]=3 6848 B13R1.1492 CCOC(=O)C(CC)N1CC(C1)F 269982a_100000690557_100000212269 [0,1,0,1,0,0|1,0,0]=3 6849 B13R1.1492 CCOC(=O)C(CC)N1CC(C1)F 34a_100000690557_100000212269 [0,1,0,1,0,0|1,0,0]=3 6850 B13R1.1492 CCOC(=O)C(CC)N1CC(C1)O 269982a_100000749847_100000212269 [0,1,0,1,0,0|1,0,0]=3 6851 B13R1.1492 CCOC(=O)C(SC)N1CC(C1)C 269982a_100000702820_100009893047 [0,1,0,1,0,0|2,0,0]=4 6852 B13R1.1492 CCOC(=O)C(SC)N1CC(C1)C 34a_100000702820_100009893047 [0,1,0,1,0,0|2,0,0]=4 6853 B13R1.1492 CCOC(=O)C(SC)N1CC(C1)F 269982a_100000690557_100009893047 [0,1,0,1,0,0|2,0,0]=4 6854 B13R1.1492 CCOC(=O)C(SC)N1CC(C1)F 34a_100000690557_100009893047 [0,1,0,1,0,0|2,0,0]=4 6855 B13R1.1492 CCOC(=O)C(SC)N1CC(C1)O 269982a_100000749847_100009893047 [0,1,0,1,0,0|2,0,0]=4 6856 B13R1.1504 CCCC(=O)N(CC)C(C)C1CC1 11a_200000232609_100000211992 [0,1,0,1,0,0|2,0,0]=4 6857 B13R1.1504 CCCC(=O)N(CC)C(C)C1CC1 1626a_200000232609_100000211992 [0,1,0,1,0,0|2,0,0]=4 6858 B13R1.1504 CCCC(=O)N(CC)C(C)C1CC1 240690a_200000232609_100000211992 [0,1,0,1,0,0|2,0,0]=4 6859 B13R1.1504 CCCC(=O)N(CC)C(C)C1CC1 527a_200000232609_100000211992 [0,1,0,1,0,0|2,0,0]=4 6860 B13R1.1504 CCNC(=O)N(CC)C(C)C1CC1 2708a_100015525214_200000232609 [0,1,0,1,0,0|2,0,0]=4 6861 B13R1.1504 CCOC(=O)C(CC)C(=O)C1CC1 1458a_100000210395_100000212269 [0,1,0,1,0,0|0,0,1]=3 6862 B13R1.1504 CCOC(=O)C(CC)C(=O)C1CO1 1458a_100000701028_100000212269 [0,1,0,1,0,0|1,0,1]=4 6863 B13R1.1504 CCOC(=O)C(CC)N(C)C1CC1 2230a_100000226674_100000212269 [0,1,0,1,0,0|1,0,0]=3 6864 B13R1.1504 CCOC(=O)C(CC)N(C)C1CC1 269982a_100000226674_100000212269 [0,1,0,1,0,0|1,0,0]=3 6865 B13R1.1504 CCOC(=O)C(NC)C(=O)C1CC1 2230a_106832991635_100009907894 [0,1,0,1,0,0|1,0,1]=4 6866 B13R1.1504 CCOC(=O)C(NC)C(=O)C1CC1 7a_106832991635_100009907894 [0,1,0,1,0,0|1,0,1]=4 6867 B13R1.1504 CCOC(=O)C(SC)C(=O)C1CC1 1458a_100000210395_100009893047 [0,1,0,1,0,0|1,0,1]=4 6868 B13R1.1504 CCOC(=O)C(SC)C(=O)C1CC1 62a_100009907894_200000210301 [0,1,0,1,0,0|1,0,1]=4 6869 B13R1.1504 CCOC(=O)C(SC)C(=O)C1CC1 62a_200000210301_100009907894 [0,1,0,1,0,0|1,0,1]=4 6870 B13R1.1504 CCOC(=O)C(SC)N(C)C1CC1 269982a_100000226674_100009893047 [0,1,0,1,0,0|2,0,0]=4 6871 B13R1.1504 CCOC(=O)C(S[13CH3])C(=O)C1CC1 62a_100009907894_200025704644 [0,1,0,1,0,0|1,0,1]=4 6872 B13R1.1504 CCOC(=O)C(S[13CH3])C(=O)C1CC1 62a_200025704644_100009907894 [0,1,0,1,0,0|1,0,1]=4 6873 B13R1.1549 CCCC(=O)C1(CC1)C(=O)OCC 1458a_100000055151_100000210303 [0,1,0,1,0,0|0,0,1]=3 6874 B13R1.1549 CCCC(=O)C1(CC1)C(=O)OCC 1458a_100000211992_100009861064 [0,1,0,1,0,0|0,0,1]=3 6875 B13R1.1549 CCNC(=O)C1(CC1)C(=O)OCC 11a_100015525214_100000055151 [0,1,0,1,0,0|1,0,1]=4 6876 B13R1.1549 CCNC(=O)C1(CC1)C(=O)OCC 240690a_100015525214_100000055151 [0,1,0,1,0,0|1,0,1]=4 6877 B13R1.1549 CCNC(=O)C1(CC1)C(=O)OCC 527a_100015525214_100000055151 [0,1,0,1,0,0|1,0,1]=4 6878 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CCF 1458a_100000055151_100011217306 [0,1,0,1,0,0|1,0,1]=4 6879 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CCO 1458a_100000055151_100000211926 [0,1,0,1,0,0|1,0,1]=4 6880 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CCO 1458a_100011216618_100009861064 [0,1,0,1,0,0|1,0,1]=4 6881 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CNC 2230a_106832991635_100010133043 [0,1,0,1,0,0|1,0,1]=4 6882 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CNC 34a_100102657272_100010133043 [0,1,0,1,0,0|1,0,1]=4 6883 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CNC 7a_106832991635_100010133043 [0,1,0,1,0,0|1,0,1]=4 6884 B13R1.1549 CCOC(=O)C1(CC1)C(=O)COC 1458a_100000210968_100009861064 [0,1,0,1,0,0|1,0,1]=4 6885 B13R1.1549 CCOC(=O)C1(CC1)C(=O)COC 34a_100138415774_100010133043 [0,1,0,1,0,0|1,0,1]=4 6886 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CSC 1458a_100000184570_100009861064 [0,1,0,1,0,0|1,0,1]=4 6887 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CSC 62a_100010133043_200000210301 [0,1,0,1,0,0|1,0,1]=4 6888 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CSC 62a_200000210301_100010133043 [0,1,0,1,0,0|1,0,1]=4 6889 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CS[13CH3] 62a_100010133043_200025704644 [0,1,0,1,0,0|1,0,1]=4 6890 B13R1.1549 CCOC(=O)C1(CC1)C(=O)CS[13CH3] 62a_200025704644_100010133043 [0,1,0,1,0,0|1,0,1]=4 6891 B13R1.4453 CCCC(=O)N1C(CCCC1C)C 11a_100000210447_100000211992 [0,1,0,1,0,0|2,0,0]=4 6892 B13R1.4453 CCCC(=O)N1C(CCCC1C)C 240690a_100000210447_100000211992 [0,1,0,1,0,0|2,0,0]=4 6893 B13R1.4453 CCNC(=O)N1C(CCCC1C)C 2708a_100015525214_100000210447 [0,1,0,1,0,0|2,0,0]=4 6894 B13R1.4453 CCNC(=O)N1C(CCCC1C)C 273464a_100015525214_100000210447 [0,1,0,1,0,0|2,0,0]=4 6895 B13R1.460 CCCC(=O)C1CCCC(C1)OC 1458a_100011215561_100000210303 [0,1,0,1,0,0|2,0,0]=4 6896 B13R1.460 CCCC(=O)C1CCCN(C1)CC 1458a_100000743261_100000210303 [0,1,0,1,0,0|2,0,0]=4 6897 B13R1.460 CCCC(=O)N1CCOC(C1)CC 11a_100000736320_100000211992 [0,1,0,1,0,0|2,0,0]=4 6898 B13R1.460 CCCC(=O)N1CCOC(C1)CC 1626a_100000736320_100000211992 [0,1,0,1,0,0|2,0,0]=4 6899 B13R1.460 CCCC(=O)N1CCOC(C1)CC 240690a_100000736320_100000211992 [0,1,0,1,0,0|2,0,0]=4 6900 B13R1.460 CCCC(=O)N1CCOC(C1)CC 527a_100000736320_100000211992 [0,1,0,1,0,0|2,0,0]=4 6901 B13R1.460 CCNC(=O)C1CCCC(C1)OC 11a_100015525214_100011215561 [0,1,0,1,0,0|2,0,0]=4 6902 B13R1.460 CCNC(=O)C1CCCC(C1)OC 240690a_100015525214_100011215561 [0,1,0,1,0,0|2,0,0]=4 6903 B13R1.460 CCNC(=O)C1CCCC(C1)OC 527a_100015525214_100011215561 [0,1,0,1,0,0|2,0,0]=4 6904 B13R1.460 CCNC(=O)C1CCCN(C1)CC 11a_100015525214_100000743261 [0,1,0,1,0,0|2,0,0]=4 6905 B13R1.460 CCNC(=O)C1CCCN(C1)CC 240690a_100015525214_100000743261 [0,1,0,1,0,0|2,0,0]=4 6906 B13R1.460 CCNC(=O)C1CCCN(C1)CC 527a_100015525214_100000743261 [0,1,0,1,0,0|2,0,0]=4 6907 B13R1.460 CCNC(=O)N1CCOC(C1)CC 2708a_100015525214_100000736320 [0,1,0,1,0,0|2,0,0]=4 6908 B13R1.460 CCNC(=O)N1CCOC(C1)CC 273464a_100015525214_100000736320 [0,1,0,1,0,0|2,0,0]=4 6909 B13R1.460 CCOC(=O)C1CC(CCO1)NC 270004a_106832991635_100010274582 [0,1,0,1,0,0|1,0,0]=3 6910 B13R1.460 CCOC(=O)C1CCCC(C1)OC 7a_100011934014_200000210301 [0,1,0,1,0,0|1,0,0]=3 6911 B13R1.460 CCOC(=O)C1CCCC(C1)O[13CH3] 7a_100011934014_200025704644 [0,1,0,1,0,0|1,0,0]=3 6912 B13R1.460 CCOC(=O)C1CN(CCO1)CC 2230a_100016995033_100000210202 [0,1,0,1,0,0|1,0,0]=3 6913 B13R1.460 CCOC(=O)C1CN(CCO1)CC 269982a_100016995033_100000204670 [0,1,0,1,0,0|1,0,0]=3 6914 B13R1.460 CCOC(=O)C1CN(CCO1)CF 269982a_100016995033_100015361967 [0,1,0,1,0,0|2,0,0]=4 6915 B13R1.460 CCOC(=O)[C@H]1CCCN(C1)CC 2230a_100000759086_100000210202 [0,1,0,1,0,0|1,0,0]=3 6916 B13R1.460 CCOC(=O)[C@H]1CCCN(C1)CC 269982a_100000759086_100000204670 [0,1,0,1,0,0|1,0,0]=3 6917 B13R1.460 CCOC(=O)[C@H]1CCCN(C1)CF 269982a_100000759086_100015361967 [0,1,0,1,0,0|2,0,0]=4 6918 B13R1.466 CCCC(=O)N1CCC(C(C1)O)C 11a_100000696640_100000211992 [0,1,0,1,0,0|2,0,0]=4 6919 B13R1.466 CCCC(=O)N1CCC(C(C1)O)C 240690a_100000696640_100000211992 [0,1,0,1,0,0|2,0,0]=4 6920 B13R1.466 CCCC(=O)N1CCC(C(C1)O)C 527a_100000696640_100000211992 [0,1,0,1,0,0|2,0,0]=4 6921 B13R1.466 CCNC(=O)N1CCC(C(C1)O)C 2708a_100015525214_100000696640 [0,1,0,1,0,0|2,0,0]=4 6922 B13R1.466 CCNC(=O)N1CCC(C(C1)O)C 273464a_100015525214_100000696640 [0,1,0,1,0,0|2,0,0]=4 6923 B13R1.1462 CCCC(=O)N1CCCCC(C1)O 240690a_100025706797_100000211992 [0,1,0,1,0,0|2,0,0]=4 6924 B13R1.1462 CCNC(=O)N1CCCCC(C1)O 2708a_100015525214_100025706797 [0,1,0,1,0,0|2,0,0]=4 6925 B13R1.1462 CCNC(=O)N1CCCCC(C1)O 273464a_100015525214_100025706797 [0,1,0,1,0,0|2,0,0]=4 6926 B13R1.1463 CCCC(=O)N1CCCC(CC1)C 11a_100025706717_100000211992 [0,1,0,1,0,0|2,0,0]=4 6927 B13R1.1463 CCCC(=O)N1CCCC(CC1)C 1626a_100025706717_100000211992 [0,1,0,1,0,0|2,0,0]=4 6928 B13R1.1463 CCCC(=O)N1CCCC(CC1)C 240690a_100025706717_100000211992 [0,1,0,1,0,0|2,0,0]=4 6929 B13R1.1463 CCCC(=O)N1CCCC(CC1)C 527a_100025706717_100000211992 [0,1,0,1,0,0|2,0,0]=4 6930 B13R1.1463 CCCC(=O)N1CCCC(CC1)O 240690a_100015186869_100000211992 [0,1,0,1,0,0|2,0,0]=4 6931 B13R1.1463 CCCC(=O)N1CCCC(CC1)O 527a_100015186869_100000211992 [0,1,0,1,0,0|2,0,0]=4 6932 B13R1.1463 CCCC(=O)N1CCCN(CC1)C 2230a_200000743687_200000210301 [0,1,0,1,0,0|2,0,0]=4 6933 B13R1.1463 CCCC(=O)N1CCCN(CC1)C 240690a_100000211313_100000211992 [0,1,0,1,0,0|2,0,0]=4 6934 B13R1.1463 CCCC(=O)N1CCCN(CC1)C 269982a_200000743687_200000210301 [0,1,0,1,0,0|2,0,0]=4 6935 B13R1.1463 CCCC(=O)N1CCCN(CC1)[13CH3] 2230a_200000743687_200025704644 [0,1,0,1,0,0|2,0,0]=4 6936 B13R1.1463 CCCC(=O)N1CCCN(CC1)[13CH3] 269982a_200000743687_200025704644 [0,1,0,1,0,0|2,0,0]=4 6937 B13R1.1463 CCNC(=O)N1CCCC(CC1)C 2708a_100015525214_100025706717 [0,1,0,1,0,0|2,0,0]=4 6938 B13R1.1463 CCNC(=O)N1CCCC(CC1)C 273464a_100015525214_100025706717 [0,1,0,1,0,0|2,0,0]=4 6939 B13R1.1463 CCNC(=O)N1CCCC(CC1)O 2708a_100015525214_100015186869 [0,1,0,1,0,0|2,0,0]=4 6940 B13R1.1463 CCNC(=O)N1CCCC(CC1)O 273464a_100015525214_100015186869 [0,1,0,1,0,0|2,0,0]=4 6941 B13R1.1463 CCNC(=O)N1CCCN(CC1)C 2708a_100015525214_100000211313 [0,1,0,1,0,0|2,0,0]=4 6942 B13R1.1463 CCNC(=O)N1CCCN(CC1)C 273464a_100015525214_100000211313 [0,1,0,1,0,0|2,0,0]=4 6943 B13R1.1463 CCOC(=O)N1CCCN(CC1)C 2230a_100000748262_200000210301 [0,1,0,1,0,0|1,0,0]=3 6944 B13R1.1463 CCOC(=O)N1CCCN(CC1)C 269982a_100000748262_200000210301 [0,1,0,1,0,0|1,0,0]=3 6945 B13R1.1463 CCOC(=O)N1CCCN(CC1)[13CH3] 2230a_100000748262_200025704644 [0,1,0,1,0,0|1,0,0]=3 6946 B13R1.1463 CCOC(=O)N1CCCN(CC1)[13CH3] 269982a_100000748262_200025704644 [0,1,0,1,0,0|1,0,0]=3 6947 B13R1.1464 CCCC(=O)C1CC/C=C\CCC1 1458a_100000211992_100021000466 [0,1,0,1,0,0|1,0,1]=4 6948 B13R1.1464 CCCC(=O)N1CCCCCCC1 11a_100000211400_100000211992 [0,1,0,1,0,0|2,0,0]=4 6949 B13R1.1464 CCCC(=O)N1CCCCCCC1 1626a_100000211400_100000211992 [0,1,0,1,0,0|2,0,0]=4 6950 B13R1.1464 CCCC(=O)N1CCCCCCC1 240690a_100000211400_100000211992 [0,1,0,1,0,0|2,0,0]=4 6951 B13R1.1464 CCCC(=O)N1CCCCCCC1 527a_100000211400_100000211992 [0,1,0,1,0,0|2,0,0]=4 6952 B13R1.1464 CCNC(=O)N1CCCCCCC1 2708a_100015525214_100000211400 [0,1,0,1,0,0|2,0,0]=4 6953 B13R1.1464 CCNC(=O)N1CCCCCCC1 273464a_100015525214_100000211400 [0,1,0,1,0,0|2,0,0]=4 6954 B13R1.1570 CCCC(=O)C(CCC)OC1CC1 34a_200011216804_100000211595 [0,1,0,1,0,0|2,0,0]=4 6955 B13R1.1570 CCCC(=O)N(CCC)CC1CC1 11a_100000210729_100000211992 [0,1,0,1,0,0|2,0,0]=4 6956 B13R1.1570 CCCC(=O)N(CCC)CC1CC1 1626a_100000210729_100000211992 [0,1,0,1,0,0|2,0,0]=4 6957 B13R1.1570 CCCC(=O)N(CCC)CC1CC1 240690a_100000210729_100000211992 [0,1,0,1,0,0|2,0,0]=4 6958 B13R1.1570 CCCC(=O)N(CCC)CC1CC1 527a_100000210729_100000211992 [0,1,0,1,0,0|2,0,0]=4 6959 B13R1.1570 CCCC(NC1CC1)C(=O)OCC 34a_100000212008_100000695697 [0,1,0,1,0,0|1,0,0]=3 6960 B13R1.1570 CCCC(OC1CC1)C(=O)OCC 34a_200011218214_100000211595 [0,1,0,1,0,0|1,0,0]=3 6961 B13R1.1570 CCCC(SC1CC1)C(=O)OCC 62a_100000695697_100000211595 [0,1,0,1,0,0|1,0,0]=3 6962 B13R1.1570 CCCN(CC1CC1)C(=O)NCC 2708a_100015525214_100000210729 [0,1,0,1,0,0|2,0,0]=4 6963 B13R1.1570 CCCN(CC1CC1)C(=O)NCC 273464a_100015525214_100000210729 [0,1,0,1,0,0|2,0,0]=4 6964 B13R1.1570 CCOC(=O)C(NC1CC1)OCC 34a_100000212008_100000033883 [0,1,0,1,0,0|1,0,0]=3 6965 B13R1.1570 CCOC(=O)C(OCC)SC1CC1 62a_100000033883_100000211595 [0,1,0,1,0,0|1,0,0]=3 6966 B13R1.1911 CCCOC(C(=O)OCC)C1CC1 34a_100000210258_100010073418 [0,1,0,1,0,0|1,0,0]=3 6967 B13R1.1911 CCCSC(C(=O)OCC)C1CC1 62a_100000210303_100010073418 [0,1,0,1,0,0|1,0,0]=3 6968 B13R1.1911 CCCSC(C(=O)OCC)C1CC1 62a_100010073418_100000210303 [0,1,0,1,0,0|1,0,0]=3 6969 B13R1.1911 CCOC(=O)C(NCCF)C1CC1 34a_100000724931_100010073418 [0,1,0,1,0,0|2,0,0]=4 6970 B13R1.1911 CCOC(=O)C(NCCO)C1CC1 2230a_100016997473_100010073418 [0,1,0,1,0,0|2,0,0]=4 6971 B13R1.1911 CCOC(=O)C(NCCO)C1CC1 34a_100016990907_100010073418 [0,1,0,1,0,0|2,0,0]=4 6972 B13R1.1911 CCOC(=O)C(OCCBr)C1CC1 34a_100000211926_100010073418 [0,1,0,1,0,0|2,0,0]=4 6973 B13R1.1911 CCOC(=O)C(OCCN)C1CC1 34a_100000210304_100010073418 [0,1,0,1,0,0|2,0,0]=4 6974 B13R1.1911 CCOC(=O)C(SCCF)C1CC1 62a_100010073418_100011217306 [0,1,0,1,0,0|2,0,0]=4 6975 B13R1.1911 CCOC(=O)C(SCCF)C1CC1 62a_100011217306_100010073418 [0,1,0,1,0,0|2,0,0]=4 6976 B13R1.1911 CCOC(=O)C(SCCO)C1CC1 62a_100000211926_100010073418 [0,1,0,1,0,0|2,0,0]=4 6977 B13R1.1911 CCOC(=O)C(SCCO)C1CC1 62a_100010073418_100000211926 [0,1,0,1,0,0|2,0,0]=4 6978 B13R1.1911 CCOC(=O)C(SCOC)C1CC1 62a_100000766300_100010073418 [0,1,0,1,0,0|2,0,0]=4 6979 B13R1.1911 CCOC(=O)C(SCOC)C1CC1 62a_100010073418_100000766300 [0,1,0,1,0,0|2,0,0]=4 6980 B13R1.1911 CCOC(=O)C(SCSC)C1CC1 62a_100010073418_100011218213 [0,1,0,1,0,0|2,0,0]=4 6981 B13R1.1911 CCOC(=O)C(SCSC)C1CC1 62a_100011218213_100010073418 [0,1,0,1,0,0|2,0,0]=4 6982 B13R1.3910 CCCC1C(=O)NCCN1CCC 2230a_200000695202_100000210303 [0,1,0,1,0,0|2,0,0]=4 6983 B13R1.3910 CCCC1C(=O)NCCN1CCC 269982a_200000695202_100000210303 [0,1,0,1,0,0|2,0,0]=4 6984 B13R1.3910 CCCC1C(=O)NCCN1CCC 34a_200000695202_100000210303 [0,1,0,1,0,0|2,0,0]=4 6985 B13R1.3910 CCCN1CCNC(=O)C1CCO 2230a_100000044719_100000210303 [0,1,0,1,0,0|2,0,0]=4 6986 B13R1.3910 CCCN1CCNC(=O)C1CCO 34a_100000044719_100000210303 [0,1,0,1,0,0|2,0,0]=4 6987 B13R1.6291 CCCCC(CCC)C(=O)C1CC1 1458a_100000210395_100000211913 [0,1,0,1,0,0|1,0,0]=3 6988 B13R1.6291 CCCCC(CCC)C(=O)C1CO1 1458a_100000701028_100000211913 [0,1,0,1,0,0|2,0,0]=4 6989 B13R1.6291 CCCCN(CCC)C(=O)C1CC1 11a_200000207744_100000210395 [0,1,0,1,0,0|2,0,0]=4 6990 B13R1.6291 CCCCN(CCC)C(=O)C1CC1 1626a_200000207744_100000210395 [0,1,0,1,0,0|2,0,0]=4 6991 B13R1.6291 CCCCN(CCC)C(=O)C1CC1 240690a_200000207744_100000210395 [0,1,0,1,0,0|2,0,0]=4 6992 B13R1.6291 CCCCN(CCC)C(=O)C1CC1 527a_200000207744_100000210395 [0,1,0,1,0,0|2,0,0]=4 6993 B13R1.6291 CCCCN(CCO)C(=O)C1CC1 240690a_100000198060_100000210395 [0,1,0,1,0,0|2,0,0]=4 6994 B13R1.6410 CCCOC1(CCC1)C(=O)OCC 34a_100000210258_100009814009 [0,1,0,1,0,0|1,0,0]=3 6995 B13R1.6410 CCCSC1(CCC1)C(=O)OCC 62a_100000210303_100009814009 [0,1,0,1,0,0|1,0,0]=3 6996 B13R1.6410 CCCSC1(CCC1)C(=O)OCC 62a_100009814009_100000210303 [0,1,0,1,0,0|1,0,0]=3 6997 B13R1.6410 CCOC(=O)C1(CCC1)COCF 7a_100000732475_100015361967 [0,1,0,1,0,0|2,0,0]=4 6998 B13R1.6410 CCOC(=O)C1(CCC1)NCCF 34a_100000724931_100009814009 [0,1,0,1,0,0|2,0,0]=4 6999 B13R1.6410 CCOC(=O)C1(CCC1)NCCO 34a_100016990907_100009814009 [0,1,0,1,0,0|2,0,0]=4 7000 B13R1.6410 CCOC(=O)C1(CCC1)OCCBr 34a_100000211926_100009814009 [0,1,0,1,0,0|2,0,0]=4 7001 B13R1.6410 CCOC(=O)C1(CCC1)OCCN 34a_100000210304_100009814009 [0,1,0,1,0,0|2,0,0]=4 7002 B13R1.6410 CCOC(=O)C1(CCC1)SCCF 62a_100009814009_100011217306 [0,1,0,1,0,0|2,0,0]=4 7003 B13R1.6410 CCOC(=O)C1(CCC1)SCCF 62a_100011217306_100009814009 [0,1,0,1,0,0|2,0,0]=4 7004 B13R1.6410 CCOC(=O)C1(CCC1)SCCO 62a_100000211926_100009814009 [0,1,0,1,0,0|2,0,0]=4 7005 B13R1.6410 CCOC(=O)C1(CCC1)SCCO 62a_100009814009_100000211926 [0,1,0,1,0,0|2,0,0]=4 7006 B13R1.6410 CCOC(=O)C1(CCC1)SCOC 62a_100000766300_100009814009 [0,1,0,1,0,0|2,0,0]=4 7007 B13R1.6410 CCOC(=O)C1(CCC1)SCOC 62a_100009814009_100000766300 [0,1,0,1,0,0|2,0,0]=4 7008 B13R1.6410 CCOC(=O)C1(CCC1)SCSC 62a_100009814009_100011218213 [0,1,0,1,0,0|2,0,0]=4 7009 B13R1.6410 CCOC(=O)C1(CCC1)SCSC 62a_100011218213_100009814009 [0,1,0,1,0,0|2,0,0]=4 7010 B13R1.6410 CCOCC1(CCC1)C(=O)OCC 7a_100000732475_100000210202 [0,1,0,1,0,0|1,0,0]=3 7011 B13R1.6469 CCCC(C(=O)OCC)N1CCC1 269982a_100000754969_100000695697 [0,1,0,1,0,0|1,0,0]=3 7012 B13R1.115 CCC1C(=O)NCCN1CC(C)C 2230a_100000187962_100000210760 [0,1,0,1,0,0|2,0,0]=4 7013 B13R1.115 CCC1C(=O)NCCN1CC(C)C 269982a_100000187962_100000210624 [0,1,0,1,0,0|2,0,0]=4 7014 B13R1.115 CCC1C(=O)NCCN1CC(C)C 270004a_100000187962_100000210432 [0,1,0,1,0,0|2,0,0]=4 7015 B13R1.115 CCC1C(=O)NCCN1CC(C)C 34a_100000187962_100000210624 [0,1,0,1,0,0|2,0,0]=4 7016 B13R1.115 CCC1C(=O)NCCN1CC(C)O 2230a_100000187962_100011218427 [0,1,0,1,0,0|2,0,0]=4 7017 B13R1.115 CCC1C(=O)NCCN1CC(C)O 269982a_100000187962_100011218427 [0,1,0,1,0,0|2,0,0]=4 7018 B13R1.115 CCC1C(=O)NCCN1CC(C)O 34a_100000187962_100011218427 [0,1,0,1,0,0|2,0,0]=4 7019 B13R1.115 CCC1C(=O)NCCN1C[C@@H](C)O 2230a_100000187962_100009817552 [0,1,0,1,0,0|2,0,0]=4 7020 B13R1.115 CCC1C(=O)NCCN1C[C@@H](C)O 269982a_100000187962_100009817552 [0,1,0,1,0,0|2,0,0]=4 7021 B13R1.115 CCC1C(=O)NCCN1C[C@@H](C)O 34a_100000187962_100009817552 [0,1,0,1,0,0|2,0,0]=4 7022 B13R1.280 CC(C)CNC1CCCCNC1=O 2230a_100000210953_100000735217 [0,1,0,1,0,0|2,0,0]=4 7023 B13R1.280 CC(C)CNC1CCCCNC1=O 2230a_100000698827_100000210760 [0,1,0,1,0,0|2,0,0]=4 7024 B13R1.280 CC(C)CNC1CCCCNC1=O 270004a_100000698827_100000210432 [0,1,0,1,0,0|2,0,0]=4 7025 B13R1.280 CC(C)CNC1CCCCNC1=O 34a_100000698827_100000210624 [0,1,0,1,0,0|2,0,0]=4 7026 B13R1.280 CC(C)CSC1CCCCCC1=O 62a_100000210624_100000243696 [0,1,0,1,0,0|2,0,0]=4 7027 B13R1.280 CC(C)CSC1CCCCCC1=O 62a_100000243696_100000210760 [0,1,0,1,0,0|2,0,0]=4 7028 B13R1.280 CC(C)CSC1CCCCNC1=O 62a_100000210624_100000735217 [0,1,0,1,0,0|2,0,0]=4 7029 B13R1.280 CC(C)CSC1CCCCNC1=O 62a_100000735217_100000210760 [0,1,0,1,0,0|2,0,0]=4 7030 B13R1.280 CC(O)CNC1CCCCNC1=O 2230a_100000210904_100000735217 [0,1,0,1,0,0|2,0,0]=4 7031 B13R1.280 CC(O)CNC1CCCCNC1=O 2230a_100000698827_100011218427 [0,1,0,1,0,0|2,0,0]=4 7032 B13R1.280 CC(O)CNC1CCCCNC1=O 34a_100000698827_100011218427 [0,1,0,1,0,0|2,0,0]=4 7033 B13R1.280 CC(O)CSC1CCCCCC1=O 62a_100000243696_100011218427 [0,1,0,1,0,0|2,0,0]=4 7034 B13R1.280 CC(O)CSC1CCCCCC1=O 62a_100011218427_100000243696 [0,1,0,1,0,0|2,0,0]=4 7035 B13R1.280 CC(O)CSC1CCCCNC1=O 62a_100000735217_100011218427 [0,1,0,1,0,0|2,0,0]=4 7036 B13R1.280 CC(O)CSC1CCCCNC1=O 62a_100011218427_100000735217 [0,1,0,1,0,0|2,0,0]=4 7037 B13R1.280 C[C@@H](O)CNC1CCCCNC1=O 2230a_100000698827_100009817552 [0,1,0,1,0,0|2,0,0]=4 7038 B13R1.280 C[C@@H](O)CNC1CCCCNC1=O 34a_100000698827_100009817552 [0,1,0,1,0,0|2,0,0]=4 7039 B13R1.280 C[C@@H](O)CSC1CCCCCC1=O 62a_100000243696_100009817552 [0,1,0,1,0,0|2,0,0]=4 7040 B13R1.280 C[C@@H](O)CSC1CCCCCC1=O 62a_100009817552_100000243696 [0,1,0,1,0,0|2,0,0]=4 7041 B13R1.280 C[C@@H](O)CSC1CCCCNC1=O 62a_100000735217_100009817552 [0,1,0,1,0,0|2,0,0]=4 7042 B13R1.280 C[C@@H](O)CSC1CCCCNC1=O 62a_100009817552_100000735217 [0,1,0,1,0,0|2,0,0]=4 7043 B13R1.451 CCOC(=O)C1CCC(C1)C(=O)C 1458a_100013035436_200000210301 [0,1,0,1,0,0|0,0,1]=3 7044 B13R1.451 CCOC(=O)C1CCC(C1)C(=O)[13CH3] 1458a_100013035436_200025704644 [0,1,0,1,0,0|0,0,1]=3 7045 B13R1.451 CCOC(=O)C1CCC(C1)N(C)C 270004a_100102631434_100000077466 [0,1,0,1,0,0|1,0,0]=3 7046 B13R1.451 CCOC(=O)C1CCN(C1)C(=O)C 11a_100016987290_100015343762 [0,1,0,1,0,0|1,0,1]=4 7047 B13R1.451 CCOC(=O)C1CCN(C1)C(=O)C 1626a_100016987290_100015343762 [0,1,0,1,0,0|1,0,1]=4 7048 B13R1.451 CCOC(=O)C1CCN(C1)C(=O)C 240690a_100016987290_100015343762 [0,1,0,1,0,0|1,0,1]=4 7049 B13R1.451 CCOC(=O)C1CCN(C1)C(=O)C 527a_100016987290_100103153847 [0,1,0,1,0,0|1,0,1]=4 7050 B13R1.451 CCOC(=O)C1CCN(C1)C(C)C 2230a_100016987290_100000210206 [0,1,0,1,0,0|1,0,0]=3 7051 B13R1.451 CCOC(=O)C1CCN(C1)C(C)C 269982a_100016987290_100000210206 [0,1,0,1,0,0|1,0,0]=3 7052 B13R1.1404 CCN(CCC(C)C)C(=O)C1CC1 11a_100000207693_100000210395 [0,1,0,1,0,0|2,0,0]=4 7053 B13R1.1404 CCN(CCC(C)C)C(=O)C1CC1 1626a_100000207693_100000210395 [0,1,0,1,0,0|2,0,0]=4 7054 B13R1.1404 CCN(CCC(C)C)C(=O)C1CC1 240690a_100000207693_100000210395 [0,1,0,1,0,0|2,0,0]=4 7055 B13R1.1404 CCN(CCC(C)C)C(=O)C1CC1 527a_100000207693_100000210395 [0,1,0,1,0,0|2,0,0]=4 7056 B13R1.1488 CCOC(=O)C(CC)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000212269 [0,1,0,1,0,0|1,0,0]=3 7057 B13R1.1488 CCOC(=O)C(CC)N[C@@H]1C[C@H]1F 2230a_100025746932_100000212269 [0,1,0,1,0,0|1,0,0]=3 7058 B13R1.1488 CCOC(=O)C(CC)N[C@@H]1C[C@H]1F 34a_100025746932_100000212269 [0,1,0,1,0,0|1,0,0]=3 7059 B13R1.1488 CCOC(=O)C(N[C@@H]1C[C@H]1F)SC 34a_100025746932_100009893047 [0,1,0,1,0,0|2,0,0]=4 7060 B13R1.1490 CCOC(=O)C(=NNC1CC1)CC 4a_100000701032_100000211510 [0,1,0,1,0,0|1,0,1]=4 7061 B13R1.1490 CCOC(=O)C(C=O)SCC1CC1 62a_100000053139_100000742324 [0,1,0,1,0,0|1,0,1]=4 7062 B13R1.1490 CCOC(=O)C(C=O)SCC1CC1 62a_100000756562_100000053139 [0,1,0,1,0,0|1,0,1]=4 7063 B13R1.1490 CCOC(=O)C(CC)NCC1CC1 2230a_100000735609_100000212269 [0,1,0,1,0,0|0,0,0]=2 7064 B13R1.1490 CCOC(=O)C(CC)NCC1CC1 34a_100000735609_100000212269 [0,1,0,1,0,0|0,0,0]=2 7065 B13R1.1490 CCOC(=O)C(CC)OCC1CC1 34a_100000211283_100000212269 [0,1,0,1,0,0|0,0,0]=2 7066 B13R1.1490 CCOC(=O)C(CC)OCC1CC1 34a_100011216719_100000742324 [0,1,0,1,0,0|0,0,0]=2 7067 B13R1.1490 CCOC(=O)C(CC)OCC1CC1 7a_100011216719_100000742324 [0,1,0,1,0,0|0,0,0]=2 7068 B13R1.1490 CCOC(=O)C(CC)OCC1CO1 34a_100011216719_102125554688 [0,1,0,1,0,0|1,0,0]=3 7069 B13R1.1490 CCOC(=O)C(CC)OCC1CO1 7a_100011216719_102125554688 [0,1,0,1,0,0|1,0,0]=3 7070 B13R1.1490 CCOC(=O)C(CC)OCC1CS1 7a_100011216719_100000031435 [0,1,0,1,0,0|1,0,0]=3 7071 B13R1.1490 CCOC(=O)C(CC)OC[C@@H]1CO1 34a_100000757423_100000212269 [0,1,0,1,0,0|1,0,0]=3 7072 B13R1.1490 CCOC(=O)C(CC)OC[C@@H]1CO1 7a_100011216719_100000745022 [0,1,0,1,0,0|1,0,0]=3 7073 B13R1.1490 CCOC(=O)C(CC)SCC1CC1 62a_100000212269_100000742324 [0,1,0,1,0,0|0,0,0]=2 7074 B13R1.1490 CCOC(=O)C(CC)SCC1CC1 62a_100000756562_100000212269 [0,1,0,1,0,0|0,0,0]=2 7075 B13R1.1490 CCOC(=O)C(CC)SCC1CO1 62a_100000212269_102125554688 [0,1,0,1,0,0|1,0,0]=3 7076 B13R1.1490 CCOC(=O)C(CC)SCC1CO1 62a_102125554688_100000212269 [0,1,0,1,0,0|1,0,0]=3 7077 B13R1.1490 CCOC(=O)C(CC)SCC1CS1 62a_100000031435_100000212269 [0,1,0,1,0,0|1,0,0]=3 7078 B13R1.1490 CCOC(=O)C(CC)SCC1CS1 62a_100000212269_100000031435 [0,1,0,1,0,0|1,0,0]=3 7079 B13R1.1490 CCOC(=O)C(CC)SC[C@@H]1CO1 62a_100000212269_100000745022 [0,1,0,1,0,0|1,0,0]=3 7080 B13R1.1490 CCOC(=O)C(CC)SC[C@@H]1CO1 62a_100000745022_100000212269 [0,1,0,1,0,0|1,0,0]=3 7081 B13R1.1490 CCOC(=O)C(NCC1CC1)SC 34a_100000735609_100009893047 [0,1,0,1,0,0|1,0,0]=3 7082 B13R1.1490 CCOC(=O)C(OCC1CC1)SC 34a_100000211283_100009893047 [0,1,0,1,0,0|1,0,0]=3 7083 B13R1.1490 CCOC(=O)C(OC[C@@H]1CO1)SC 34a_100000757423_100009893047 [0,1,0,1,0,0|2,0,0]=4 7084 B13R1.1490 CCOC(=O)C(SC)SCC1CC1 62a_100000756562_100009893047 [0,1,0,1,0,0|1,0,0]=3 7085 B13R1.1490 CCOC(=O)C(SC)SCC1CC1 62a_100009893047_100000742324 [0,1,0,1,0,0|1,0,0]=3 7086 B13R1.1490 CCOC(=O)C(SC)SCC1CO1 62a_100009893047_102125554688 [0,1,0,1,0,0|2,0,0]=4 7087 B13R1.1490 CCOC(=O)C(SC)SCC1CO1 62a_102125554688_100009893047 [0,1,0,1,0,0|2,0,0]=4 7088 B13R1.1490 CCOC(=O)C(SC)SCC1CS1 62a_100000031435_100009893047 [0,1,0,1,0,0|2,0,0]=4 7089 B13R1.1490 CCOC(=O)C(SC)SCC1CS1 62a_100009893047_100000031435 [0,1,0,1,0,0|2,0,0]=4 7090 B13R1.1490 CCOC(=O)C(SC)SC[C@@H]1CO1 62a_100000745022_100009893047 [0,1,0,1,0,0|2,0,0]=4 7091 B13R1.1490 CCOC(=O)C(SC)SC[C@@H]1CO1 62a_100009893047_100000745022 [0,1,0,1,0,0|2,0,0]=4 7092 B13R1.1501 CCCC(=O)N1CCC(C1C)(C)C 11a_100102837566_100000211992 [0,1,0,1,0,0|2,0,0]=4 7093 B13R1.1501 CCCC(=O)N1CCC(C1C)(C)C 1626a_100102837566_100000211992 [0,1,0,1,0,0|2,0,0]=4 7094 B13R1.1501 CCCC(=O)N1CCC(C1C)(C)C 240690a_100102837566_100000211992 [0,1,0,1,0,0|2,0,0]=4 7095 B13R1.1501 CCCC(=O)N1CCC(C1C)(C)C 527a_100102837566_100000211992 [0,1,0,1,0,0|2,0,0]=4 7096 B13R1.1501 CCNC(=O)N1CCC(C1C)(C)C 2708a_100015525214_100102837566 [0,1,0,1,0,0|2,0,0]=4 7097 B13R1.1501 CCNC(=O)N1CCC(C1C)(C)C 273464a_100015525214_100102837566 [0,1,0,1,0,0|2,0,0]=4 7098 B13R1.1512 CCCC(=O)C1CCC(CC1)(F)F 1458a_100000211992_100009865109 [0,1,0,1,0,0|2,0,0]=4 7099 B13R1.1512 CCCC(=O)C1CCC(CC1)(F)F 1458a_100000752077_100000210303 [0,1,0,1,0,0|2,0,0]=4 7100 B13R1.1512 CCCC(=O)N1CCC(CC1)(C)C 11a_100000750138_100000211992 [0,1,0,1,0,0|2,0,0]=4 7101 B13R1.1512 CCCC(=O)N1CCC(CC1)(C)C 1626a_100000750138_100000211992 [0,1,0,1,0,0|2,0,0]=4 7102 B13R1.1512 CCCC(=O)N1CCC(CC1)(C)C 240690a_100000750138_100000211992 [0,1,0,1,0,0|2,0,0]=4 7103 B13R1.1512 CCCC(=O)N1CCC(CC1)(C)C 527a_100000750138_100000211992 [0,1,0,1,0,0|2,0,0]=4 7104 B13R1.1512 CCCC(=O)N1CCC(CC1)(C)O 240690a_100000690209_100000211992 [0,1,0,1,0,0|2,0,0]=4 7105 B13R1.1512 CCCC(=O)N1CCC(CC1)(C)O 527a_100000690209_100000211992 [0,1,0,1,0,0|2,0,0]=4 7106 B13R1.1512 CCNC(=O)C1CCC(CC1)(F)F 11a_100015525214_100000752077 [0,1,0,1,0,0|2,0,0]=4 7107 B13R1.1512 CCNC(=O)C1CCC(CC1)(F)F 240690a_100015525214_100000752077 [0,1,0,1,0,0|2,0,0]=4 7108 B13R1.1512 CCNC(=O)C1CCC(CC1)(F)F 527a_100015525214_100000752077 [0,1,0,1,0,0|2,0,0]=4 7109 B13R1.1512 CCNC(=O)N1CCC(CC1)(C)C 2708a_100015525214_100000750138 [0,1,0,1,0,0|2,0,0]=4 7110 B13R1.1512 CCNC(=O)N1CCC(CC1)(C)C 273464a_100015525214_100000750138 [0,1,0,1,0,0|2,0,0]=4 7111 B13R1.1512 CCNC(=O)N1CCC(CC1)(C)O 2708a_100015525214_100000690209 [0,1,0,1,0,0|2,0,0]=4 7112 B13R1.1512 CCNC(=O)N1CCC(CC1)(C)O 273464a_100015525214_100000690209 [0,1,0,1,0,0|2,0,0]=4 7113 B13R1.1565 C=C(C)COC1(CC1)C(=O)OCC 34a_100000210245_100009861064 [0,1,0,1,0,0|1,0,1]=4 7114 B13R1.1565 C=C(C)COC1(CC1)C(=O)OCC 7a_200011934196_100000748629 [0,1,0,1,0,0|1,0,1]=4 7115 B13R1.1565 C=C(C)CSC1(CC1)C(=O)OCC 62a_100000748629_100009861064 [0,1,0,1,0,0|1,0,1]=4 7116 B13R1.1565 C=C(C)CSC1(CC1)C(=O)OCC 62a_100009861064_100000211660 [0,1,0,1,0,0|1,0,1]=4 7117 B13R1.1565 CCOC(=O)C1(CC1)CNC(=O)C 188690a_100000697468_100015343762 [0,1,0,1,0,0|1,0,1]=4 7118 B13R1.1565 CCOC(=O)C1(CC1)CNC(C)C 2230a_100138425928_100010983122 [0,1,0,1,0,0|1,0,0]=3 7119 B13R1.1565 CCOC(=O)C1(CC1)CNC(C)C 34a_100138425928_100010983122 [0,1,0,1,0,0|1,0,0]=3 7120 B13R1.1565 CCOC(=O)C1(CC1)COC(C)C 34a_100000212225_100010983122 [0,1,0,1,0,0|1,0,0]=3 7121 B13R1.1565 CCOC(=O)C1(CC1)COC(C)C 7a_100000093544_100000210206 [0,1,0,1,0,0|1,0,0]=3 7122 B13R1.1565 CCOC(=O)C1(CC1)CSC(C)C 62a_100000210206_100010983122 [0,1,0,1,0,0|1,0,0]=3 7123 B13R1.1565 CCOC(=O)C1(CC1)CSC(C)C 62a_100010983122_100000210206 [0,1,0,1,0,0|1,0,0]=3 7124 B13R1.1565 CCOC(=O)C1(CC1)NCC(C)C 34a_100000210953_100009861064 [0,1,0,1,0,0|1,0,0]=3 7125 B13R1.1565 CCOC(=O)C1(CC1)NCC(C)O 34a_100000210904_100009861064 [0,1,0,1,0,0|1,0,0]=3 7126 B13R1.1565 CCOC(=O)C1(CC1)NCC(F)F 34a_100000765723_100009861064 [0,1,0,1,0,0|2,0,0]=4 7127 B13R1.1565 CCOC(=O)C1(CC1)OCC(=O)C 34a_100000211253_100009861064 [0,1,0,1,0,0|1,0,1]=4 7128 B13R1.1565 CCOC(=O)C1(CC1)OCC(C)Br 34a_100012180447_100009861064 [0,1,0,1,0,0|1,0,0]=3 7129 B13R1.1565 CCOC(=O)C1(CC1)OCC(C)C 34a_100000210257_100009861064 [0,1,0,1,0,0|1,0,0]=3 7130 B13R1.1565 CCOC(=O)C1(CC1)OCC(C)C 7a_200011934196_100000210760 [0,1,0,1,0,0|1,0,0]=3 7131 B13R1.1565 CCOC(=O)C1(CC1)OCC(C)F 34a_100015925927_100009861064 [0,1,0,1,0,0|1,0,0]=3 7132 B13R1.1565 CCOC(=O)C1(CC1)OCC(C)O 7a_200011934196_100011218427 [0,1,0,1,0,0|1,0,0]=3 7133 B13R1.1565 CCOC(=O)C1(CC1)OCC(F)F 34a_100000743014_100009861064 [0,1,0,1,0,0|2,0,0]=4 7134 B13R1.1565 CCOC(=O)C1(CC1)OCC(F)F 7a_200011934196_100011934356 [0,1,0,1,0,0|2,0,0]=4 7135 B13R1.1565 CCOC(=O)C1(CC1)OC[C@@H](C)Cl 34a_100016084084_100009861064 [0,1,0,1,0,0|1,0,0]=3 7136 B13R1.1565 CCOC(=O)C1(CC1)OC[C@@H](C)N 34a_100000737577_100009861064 [0,1,0,1,0,0|1,0,0]=3 7137 B13R1.1565 CCOC(=O)C1(CC1)OC[C@@H](C)O 7a_200011934196_100009817552 [0,1,0,1,0,0|1,0,0]=3 7138 B13R1.1565 CCOC(=O)C1(CC1)SCC(C)C 62a_100000210624_100009861064 [0,1,0,1,0,0|1,0,0]=3 7139 B13R1.1565 CCOC(=O)C1(CC1)SCC(C)C 62a_100009861064_100000210760 [0,1,0,1,0,0|1,0,0]=3 7140 B13R1.1565 CCOC(=O)C1(CC1)SCC(C)O 62a_100009861064_100011218427 [0,1,0,1,0,0|1,0,0]=3 7141 B13R1.1565 CCOC(=O)C1(CC1)SCC(C)O 62a_100011218427_100009861064 [0,1,0,1,0,0|1,0,0]=3 7142 B13R1.1565 CCOC(=O)C1(CC1)SCC(F)F 62a_100009861064_100011934356 [0,1,0,1,0,0|2,0,0]=4 7143 B13R1.1565 CCOC(=O)C1(CC1)SCC(F)F 62a_100011934356_100009861064 [0,1,0,1,0,0|2,0,0]=4 7144 B13R1.1565 CCOC(=O)C1(CC1)SC[C@@H](C)O 62a_100009817552_100009861064 [0,1,0,1,0,0|1,0,0]=3 7145 B13R1.1565 CCOC(=O)C1(CC1)SC[C@@H](C)O 62a_100009861064_100009817552 [0,1,0,1,0,0|1,0,0]=3 7146 B13R1.107 CCC(C)N1CCNC(=O)C1CC 2230a_100000187962_100000758301 [0,1,0,1,0,0|2,0,0]=4 7147 B13R1.107 CCC(C)N1CCNC(=O)C1CC 269982a_100000187962_100000758301 [0,1,0,1,0,0|2,0,0]=4 7148 B13R1.107 CCC(C)N1CCNC(=O)C1CC 34a_100000187962_100011215416 [0,1,0,1,0,0|2,0,0]=4 7149 B13R1.446 CCOC(=O)[C@@H]1C[C@H](CCN1C)C 2230a_200015568886_200000210301 [0,1,0,1,0,0|1,0,0]=3 7150 B13R1.446 CCOC(=O)[C@@H]1C[C@H](CCN1C)C 269982a_200015568886_200000210301 [0,1,0,1,0,0|1,0,0]=3 7151 B13R1.446 CCOC(=O)[C@@H]1C[C@H](CCN1[13CH3])C 2230a_200015568886_200025704644 [0,1,0,1,0,0|1,0,0]=3 7152 B13R1.446 CCOC(=O)[C@@H]1C[C@H](CCN1[13CH3])C 269982a_200015568886_200025704644 [0,1,0,1,0,0|1,0,0]=3 7153 B13R1.527 CCC(C)NC1CCCCNC1=O 2230a_100000209981_100000735217 [0,1,0,1,0,0|2,0,0]=4 7154 B13R1.527 CCC(C)NC1CCCCNC1=O 2230a_100000698827_100000758301 [0,1,0,1,0,0|2,0,0]=4 7155 B13R1.527 CCC(C)NC1CCCCNC1=O 34a_100000698827_100011215416 [0,1,0,1,0,0|2,0,0]=4 7156 B13R1.527 CCC(C)OC1CCCCCC1=O 7a_100000210228_100000243696 [0,1,0,1,0,0|2,0,0]=4 7157 B13R1.527 CCC(C)OC1CCCCNC1=O 7a_100000210228_100000735217 [0,1,0,1,0,0|2,0,0]=4 7158 B13R1.527 CCC(C)SC1CCCCCC1=O 62a_100000243696_100000758301 [0,1,0,1,0,0|2,0,0]=4 7159 B13R1.527 CCC(C)SC1CCCCCC1=O 62a_100000758301_100000243696 [0,1,0,1,0,0|2,0,0]=4 7160 B13R1.527 CCC(C)SC1CCCCNC1=O 62a_100000735217_100000758301 [0,1,0,1,0,0|2,0,0]=4 7161 B13R1.527 CCC(C)SC1CCCCNC1=O 62a_100000758301_100000735217 [0,1,0,1,0,0|2,0,0]=4 7162 B13R1.1376 CCOC(=O)C(CC)NC1(CC1)C 2230a_100000757604_100000212269 [0,1,0,1,0,0|1,0,0]=3 7163 B13R1.1376 CCOC(=O)C(CC)OC1(CC1)C 7a_100011725673_100000212269 [0,1,0,1,0,0|1,0,0]=3 7164 B13R1.1489 CCOC(=O)C(C=O)SC1CCC1 62a_100000053139_100000749161 [0,1,0,1,0,0|1,0,1]=4 7165 B13R1.1489 CCOC(=O)C(CC)NC1CCC1 2230a_100000749019_100000212269 [0,1,0,1,0,0|0,0,0]=2 7166 B13R1.1489 CCOC(=O)C(CC)NC1CCC1 34a_100000749019_100000212269 [0,1,0,1,0,0|0,0,0]=2 7167 B13R1.1489 CCOC(=O)C(CC)NC1COC1 2230a_100016991112_100000212269 [0,1,0,1,0,0|1,0,0]=3 7168 B13R1.1489 CCOC(=O)C(CC)OC1CCC1 34a_100000748187_100000212269 [0,1,0,1,0,0|0,0,0]=2 7169 B13R1.1489 CCOC(=O)C(CC)OC1CCC1 34a_100011216719_100000749161 [0,1,0,1,0,0|0,0,0]=2 7170 B13R1.1489 CCOC(=O)C(CC)OC1COC1 34a_100011216719_100009818527 [0,1,0,1,0,0|1,0,0]=3 7171 B13R1.1489 CCOC(=O)C(CC)OC1COC1 7a_100011216719_100009818527 [0,1,0,1,0,0|1,0,0]=3 7172 B13R1.1489 CCOC(=O)C(CC)OC1CSC1 7a_100000072292_100000212269 [0,1,0,1,0,0|1,0,0]=3 7173 B13R1.1489 CCOC(=O)C(CC)SC1CCC1 62a_100000212269_100000749161 [0,1,0,1,0,0|0,0,0]=2 7174 B13R1.1489 CCOC(=O)C(CC)SC1COC1 62a_100000212269_100009818527 [0,1,0,1,0,0|1,0,0]=3 7175 B13R1.1489 CCOC(=O)C(NC1CCC1)SC 34a_100000749019_100009893047 [0,1,0,1,0,0|1,0,0]=3 7176 B13R1.1489 CCOC(=O)C(OC1CCC1)SC 34a_100000748187_100009893047 [0,1,0,1,0,0|1,0,0]=3 7177 B13R1.1489 CCOC(=O)C(SC)SC1CCC1 62a_100009893047_100000749161 [0,1,0,1,0,0|1,0,0]=3 7178 B13R1.1489 CCOC(=O)C(SC)SC1COC1 62a_100009893047_100009818527 [0,1,0,1,0,0|2,0,0]=4 7179 B13R1.1491 CCOC(=O)C(CC)N1CCC1C 269982a_100000755817_100000212269 [0,1,0,1,0,0|0,0,0]=2 7180 B13R1.1491 CCOC(=O)C(CC)N1CCC1C 34a_100000755817_100000212269 [0,1,0,1,0,0|0,0,0]=2 7181 B13R1.1491 CCOC(=O)C(SC)N1CCC1C 269982a_100000755817_100009893047 [0,1,0,1,0,0|1,0,0]=3 7182 B13R1.1491 CCOC(=O)C(SC)N1CCC1C 34a_100000755817_100009893047 [0,1,0,1,0,0|1,0,0]=3 7183 B13R1.1548 CCOC(=O)C1(CC1)CC(=O)CC 1458a_100000210414_100010983122 [0,1,0,1,0,0|0,0,1]=3 7184 B13R1.1548 CCOC(=O)C1(CC1)CC(=O)CO 1458a_100000210174_100010983122 [0,1,0,1,0,0|1,0,1]=4 7185 B13R1.1548 CCOC(=O)C1(CC1)CN(C)CC 2230a_100000225621_100010983122 [0,1,0,1,0,0|1,0,0]=3 7186 B13R1.1548 CCOC(=O)C1(CC1)NC(=O)CC 188690a_100016987428_100000210414 [0,1,0,1,0,0|1,0,1]=4 7187 B13R1.1548 CCOC(=O)C1(CC1)OC(C)CC 7a_100000210228_100009861064 [0,1,0,1,0,0|1,0,0]=3 7188 B13R1.1548 CCOC(=O)C1(CC1)OC(C)CC 7a_200011934196_100000758301 [0,1,0,1,0,0|1,0,0]=3 7189 B13R1.1548 CCOC(=O)C1(CC1)OC(C)CF 34a_100016041109_100009861064 [0,1,0,1,0,0|2,0,0]=4 7190 B13R1.1548 CCOC(=O)C1(CC1)OC(C)CF 7a_100016041109_100009861064 [0,1,0,1,0,0|2,0,0]=4 7191 B13R1.1548 CCOC(=O)C1(CC1)OC(C)CN 34a_100000210904_100009861064 [0,1,0,1,0,0|2,0,0]=4 7192 B13R1.1548 CCOC(=O)C1(CC1)OC(C)CO 7a_200011934196_100012180447 [0,1,0,1,0,0|2,0,0]=4 7193 B13R1.1548 CCOC(=O)C1(CC1)SC(C)CC 62a_100000758301_100009861064 [0,1,0,1,0,0|1,0,0]=3 7194 B13R1.1548 CCOC(=O)C1(CC1)SC(C)CC 62a_100009861064_100000758301 [0,1,0,1,0,0|1,0,0]=3 7195 B13R1.1548 CCOC(=O)C1(CC1)SC(C)CO 62a_100012180447_100009861064 [0,1,0,1,0,0|2,0,0]=4 7196 B13R1.1548 CCOC(=O)C1(CC1)SC(C)OC 62a_100009861064_100009879195 [0,1,0,1,0,0|2,0,0]=4 7197 B13R1.1548 CCOC(=O)C1(CC1)SC(C)OC 62a_100009879195_100009861064 [0,1,0,1,0,0|2,0,0]=4 7198 B13R1.1548 CCOC(=O)C1(CC1)S[C@H](C)CO 62a_100009861064_100016084084 [0,1,0,1,0,0|2,0,0]=4 7199 B13R1.1548 CCOC(=O)C1(CC1)S[C@H](C)CO 62a_100016084084_100009861064 [0,1,0,1,0,0|2,0,0]=4 7200 B13R1.6215 CCC(O)CN(CC)C(=O)C1CC1 11a_100011365200_100000210395 [0,1,0,1,0,0|2,0,0]=4 7201 B13R1.6215 CCC(O)CN(CC)C(=O)C1CC1 1626a_100011365200_100000210395 [0,1,0,1,0,0|2,0,0]=4 7202 B13R1.6215 CCC(O)CN(CC)C(=O)C1CC1 240690a_100011365200_100000210395 [0,1,0,1,0,0|2,0,0]=4 7203 B13R1.6215 CCC(O)CN(CC)C(=O)C1CC1 527a_100011365200_100000210395 [0,1,0,1,0,0|2,0,0]=4 7204 B13R1.25 CCCCC(CC)c1nc(no1)C 270196a_100000212224_100000211130 [0,1,0,1,0,0|1,0,1]=4 7205 B13R1.58 CCN1CCC(C1)C(=O)CC(C)C 1458a_100103286618_100000210624 [0,1,0,1,0,0|2,0,0]=4 7206 B13R1.58 CCN1CCC(C1)C(=O)CC(C)O 1458a_100103286618_100011218427 [0,1,0,1,0,0|2,0,0]=4 7207 B13R1.58 CCN1CCC(C1)C(=O)NC(C)C 11a_100138425928_100103286618 [0,1,0,1,0,0|2,0,0]=4 7208 B13R1.58 CCN1CCC(C1)C(=O)NC(C)C 240690a_100138425928_100103286618 [0,1,0,1,0,0|2,0,0]=4 7209 B13R1.132 C=C(C)CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000748629 [0,1,0,1,0,0|1,0,1]=4 7210 B13R1.132 CC(=CC(=O)C1CCC(CC1)C)C 1458a_100000211388_200011216234 [0,1,0,1,0,0|1,0,1]=4 7211 B13R1.132 CC(=CC(=O)C1CCC(CC1)C)Cl 1458a_200042562850_200011216234 [0,1,0,1,0,0|1,0,1]=4 7212 B13R1.132 CC(=CC(=O)C1CCC(CC1)C)I 1458a_100025716642_200011216234 [0,1,0,1,0,0|1,0,1]=4 7213 B13R1.132 CC(C)CC(=O)C1CCC(CC1)C 1458a_100000210554_200011216234 [0,1,0,1,0,0|1,0,0]=3 7214 B13R1.132 CC(C)CC(=O)C1CCC(CC1)O 1458a_100000743365_100000210624 [0,1,0,1,0,0|2,0,0]=4 7215 B13R1.132 CC(C)CC(=O)C1CCN(CC1)C 1458a_100000743488_100000210624 [0,1,0,1,0,0|2,0,0]=4 7216 B13R1.132 CC(C)CC(=O)N1CCC(CC1)C 240690a_100000188429_100000210554 [0,1,0,1,0,0|2,0,0]=4 7217 B13R1.132 CC(C)CC(=O)N1CCC(CC1)C 527a_100000188429_100000210554 [0,1,0,1,0,0|2,0,0]=4 7218 B13R1.132 CC(C)CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210624 [0,1,0,1,0,0|1,0,0]=3 7219 B13R1.132 CC(C)NC(=O)C1CCC(CC1)O 1626a_100138425928_100000743365 [0,1,0,1,0,0|2,0,0]=4 7220 B13R1.132 CC(C)NC(=O)C1CCC(CC1)O 240690a_100138425928_100000743365 [0,1,0,1,0,0|2,0,0]=4 7221 B13R1.132 CC(C)NC(=O)C1CCC(CC1)O 527a_100138425928_100000743365 [0,1,0,1,0,0|2,0,0]=4 7222 B13R1.132 CC(C)NC(=O)C1CCN(CC1)C 240690a_100138425928_100000743488 [0,1,0,1,0,0|2,0,0]=4 7223 B13R1.132 CC(C)NC(=O)C1CCN(CC1)C 527a_100138425928_100000743488 [0,1,0,1,0,0|2,0,0]=4 7224 B13R1.132 CC(C)NC(=O)[C@H]1CC[C@@H](CC1)C 11a_100138425928_100009815934 [0,1,0,1,0,0|1,0,0]=3 7225 B13R1.132 CC(C)NC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100138425928_100009815934 [0,1,0,1,0,0|1,0,0]=3 7226 B13R1.132 CC(C)NC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100138425928_100009815934 [0,1,0,1,0,0|1,0,0]=3 7227 B13R1.132 CC(C)NC(=O)[C@H]1CC[C@@H](CC1)C 527a_100138425928_100009815934 [0,1,0,1,0,0|1,0,0]=3 7228 B13R1.132 CC(C)OC(=O)N1CCN(CC1)C 2230a_200011548458_200000210301 [0,1,0,1,0,0|2,0,0]=4 7229 B13R1.132 CC(C)OC(=O)N1CCN(CC1)C 269982a_200011548458_200000210301 [0,1,0,1,0,0|2,0,0]=4 7230 B13R1.132 CC(C)OC(=O)N1CCN(CC1)[13CH3] 2230a_200011548458_200025704644 [0,1,0,1,0,0|2,0,0]=4 7231 B13R1.132 CC(C)OC(=O)N1CCN(CC1)[13CH3] 269982a_200011548458_200025704644 [0,1,0,1,0,0|2,0,0]=4 7232 B13R1.132 CC(O)CC(=O)C1CCC(CC1)O 1458a_100000743365_100011218427 [0,1,0,1,0,0|2,0,0]=4 7233 B13R1.132 CC(O)CC(=O)C1CCN(CC1)C 1458a_100000743488_100011218427 [0,1,0,1,0,0|2,0,0]=4 7234 B13R1.132 CC(O)CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100011218427 [0,1,0,1,0,0|1,0,0]=3 7235 B13R1.132 CC1CCC(CC1)C(=O)CN(C)C 1458a_100000750896_200011216234 [0,1,0,1,0,0|2,0,0]=4 7236 B13R1.132 CC1CCC(CC1)C(=O)C[C@@H](C)O 1458a_100011933948_200011216234 [0,1,0,1,0,0|1,0,0]=3 7237 B13R1.132 CC1CCC(CC1)C(=O)C[S+](C)C 1458a_200159257847_200011216234 [0,1,0,1,0,0|2,0,0]=4 7238 B13R1.132 CC1CCN(CC1)C(=O)C[C@@H](C)O 240690a_100000188429_100011933948 [0,1,0,1,0,0|2,0,0]=4 7239 B13R1.132 CC1CCN(CC1)C(=O)NC(C)C 2708a_100138425928_100000188429 [0,1,0,1,0,0|2,0,0]=4 7240 B13R1.132 CC1CCN(CC1)C(=O)NC(C)C 273464a_100138425928_100000188429 [0,1,0,1,0,0|2,0,0]=4 7241 B13R1.132 C[C@H]1CC[C@@H](CC1)C(=O)CC(F)F 1458a_100009815934_100011934356 [0,1,0,1,0,0|2,0,0]=4 7242 B13R1.201 C=C(C)CC(=O)C1CCCCC1C 1458a_100011215568_100000748629 [0,1,0,1,0,0|1,0,1]=4 7243 B13R1.201 CC(C)CC(=O)C1CCCCC1C 1458a_100011215568_100000210624 [0,1,0,1,0,0|1,0,0]=3 7244 B13R1.201 CC(C)CC(=O)C1CCCCC1O 1458a_100011803323_100000210624 [0,1,0,1,0,0|2,0,0]=4 7245 B13R1.201 CC(C)CC(=O)N1CCCCC1C 11a_100000211376_100000210554 [0,1,0,1,0,0|2,0,0]=4 7246 B13R1.201 CC(C)CC(=O)N1CCCCC1C 1626a_100000211376_100000210554 [0,1,0,1,0,0|2,0,0]=4 7247 B13R1.201 CC(C)CC(=O)N1CCCCC1C 240690a_100000211376_100000210554 [0,1,0,1,0,0|2,0,0]=4 7248 B13R1.201 CC(C)CC(=O)N1CCCCC1C 527a_100000211376_100000210554 [0,1,0,1,0,0|2,0,0]=4 7249 B13R1.201 CC(C)CC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210624 [0,1,0,1,0,0|2,0,0]=4 7250 B13R1.201 CC(C)NC(=O)C1CCCCC1C 11a_100138425928_100011215568 [0,1,0,1,0,0|1,0,0]=3 7251 B13R1.201 CC(C)NC(=O)C1CCCCC1C 1626a_100138425928_100011215568 [0,1,0,1,0,0|1,0,0]=3 7252 B13R1.201 CC(C)NC(=O)C1CCCCC1C 240690a_100138425928_100011215568 [0,1,0,1,0,0|1,0,0]=3 7253 B13R1.201 CC(C)NC(=O)C1CCCCC1C 527a_100138425928_100011215568 [0,1,0,1,0,0|1,0,0]=3 7254 B13R1.201 CC(C)NC(=O)N1CCCCC1C 2708a_100138425928_100000211376 [0,1,0,1,0,0|2,0,0]=4 7255 B13R1.201 CC(C)NC(=O)N1CCCCC1C 273464a_100138425928_100000211376 [0,1,0,1,0,0|2,0,0]=4 7256 B13R1.201 CC(C)NC(=O)[C@H]1CCCCN1C 11a_100138425928_100000767060 [0,1,0,1,0,0|2,0,0]=4 7257 B13R1.201 CC(C)NC(=O)[C@H]1CCCCN1C 1626a_100138425928_100000767060 [0,1,0,1,0,0|2,0,0]=4 7258 B13R1.201 CC(C)NC(=O)[C@H]1CCCCN1C 240690a_100138425928_100000767060 [0,1,0,1,0,0|2,0,0]=4 7259 B13R1.201 CC(C)NC(=O)[C@H]1CCCCN1C 527a_100138425928_100000767060 [0,1,0,1,0,0|2,0,0]=4 7260 B13R1.201 CC(O)CC(=O)C1CCCCC1C 1458a_100011215568_100011218427 [0,1,0,1,0,0|1,0,0]=3 7261 B13R1.201 CC(O)CC(=O)C1CCCCC1O 1458a_100011803323_100011218427 [0,1,0,1,0,0|2,0,0]=4 7262 B13R1.201 CC(O)CC(=O)[C@H]1CCCCN1C 1458a_100000767060_100011218427 [0,1,0,1,0,0|2,0,0]=4 7263 B13R1.201 CC1CCCCC1C(=O)CC(F)F 1458a_100011215568_100011934356 [0,1,0,1,0,0|2,0,0]=4 7264 B13R1.201 CC1CCCCN1C(=O)C[C@@H](C)O 240690a_100000211376_100011933948 [0,1,0,1,0,0|2,0,0]=4 7265 B13R1.1924 CCCCC(CC)C(=O)CC1CC1 1458a_100000211130_100000742324 [0,1,0,1,0,0|1,0,0]=3 7266 B13R1.1924 CCCCC(CC)C(=O)CC1CC1 1458a_100000738066_200011216223 [0,1,0,1,0,0|1,0,0]=3 7267 B13R1.1924 CCCCC(CC)C(=O)CC1CO1 1458a_100000211130_100011216344 [0,1,0,1,0,0|1,0,0]=3 7268 B13R1.1924 CCCCC(CC)C(=O)CC1CS1 1458a_100000211130_100000031435 [0,1,0,1,0,0|1,0,0]=3 7269 B13R1.1924 CCCCC(CC)C(=O)C[C@@H]1CO1 1458a_100000211130_100000745022 [0,1,0,1,0,0|1,0,0]=3 7270 B13R1.1924 CCCCC(CC)C(=O)NC1CC1 1626a_100000212008_100000211130 [0,1,0,1,0,0|1,0,0]=3 7271 B13R1.1924 CCCCC(CC)C(=O)NC1CC1 240690a_100000212008_100000211130 [0,1,0,1,0,0|1,0,0]=3 7272 B13R1.1924 CCCCC(CC)C(=O)NC1CC1 527a_100000212008_100000211130 [0,1,0,1,0,0|1,0,0]=3 7273 B13R1.1924 CCCCC(CC)C(C)OC1CC1 34a_200011290779_100000211595 [0,1,0,1,0,0|1,0,1]=4 7274 B13R1.1924 CCCCN(CC)C(=O)CC1CC1 11a_100000207695_100000738066 [0,1,0,1,0,0|2,0,0]=4 7275 B13R1.1924 CCCCN(CC)C(=O)CC1CC1 1626a_100000207695_100000738066 [0,1,0,1,0,0|2,0,0]=4 7276 B13R1.1924 CCCCN(CC)C(=O)CC1CC1 240690a_100000207695_100000738066 [0,1,0,1,0,0|2,0,0]=4 7277 B13R1.1924 CCCCN(CC)C(=O)CC1CC1 527a_100000207695_100000738066 [0,1,0,1,0,0|2,0,0]=4 7278 B13R1.1924 CCCCN(CC)C(=O)NC1CC1 2708a_100000212008_100000207695 [0,1,0,1,0,0|2,0,0]=4 7279 B13R1.1924 CCCCN(CC)C(=O)NC1CC1 273464a_100000212008_100000207695 [0,1,0,1,0,0|2,0,0]=4 7280 B13R1.2687 CCC(NC1CC1)C(=O)NC(C)C 34a_100000212008_200011763342 [0,1,0,1,0,0|2,0,0]=4 7281 B13R1.2687 CCC(SC1CC1)C(=O)NC(C)C 62a_200011763342_100000211595 [0,1,0,1,0,0|2,0,0]=4 7282 B13R1.2732 CCC(C(=O)NC(C)C)N1CCC1 269982a_100000754969_200011763342 [0,1,0,1,0,0|2,0,0]=4 7283 B13R1.2732 CCN(C(=O)CC(C)C)C1CCC1 11a_100000758130_100000210554 [0,1,0,1,0,0|2,0,0]=4 7284 B13R1.2732 CCN(C(=O)CC(C)C)C1CCC1 1626a_100000758130_100000210554 [0,1,0,1,0,0|2,0,0]=4 7285 B13R1.2732 CCN(C(=O)CC(C)C)C1CCC1 240690a_100000758130_100000210554 [0,1,0,1,0,0|2,0,0]=4 7286 B13R1.2732 CCN(C(=O)CC(C)C)C1CCC1 527a_100000758130_100000210554 [0,1,0,1,0,0|2,0,0]=4 7287 B13R1.2732 CCN(C(=O)C[C@@H](C)O)C1CCC1 240690a_100000758130_100011933948 [0,1,0,1,0,0|2,0,0]=4 7288 B13R1.2732 CCN(C(=O)NC(C)C)C1CCC1 2708a_100138425928_100000758130 [0,1,0,1,0,0|2,0,0]=4 7289 B13R1.2732 CCN(C(=O)NC(C)C)C1CCC1 273464a_100138425928_100000758130 [0,1,0,1,0,0|2,0,0]=4 7290 B13R1.4975 CCCCC(CC)C(=O)C1CC1C 1458a_100000211227_200011216223 [0,1,0,1,0,0|1,0,0]=3 7291 B13R1.4975 CCCCC(CC)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200011216223 [0,1,0,1,0,0|1,0,0]=3 7292 B13R1.4975 CCCCN(CC)C(=O)C1CC1C 11a_100000207695_100000211227 [0,1,0,1,0,0|2,0,0]=4 7293 B13R1.4975 CCCCN(CC)C(=O)C1CC1C 1626a_100000207695_100000211227 [0,1,0,1,0,0|2,0,0]=4 7294 B13R1.4975 CCCCN(CC)C(=O)C1CC1C 527a_100000207695_100000211227 [0,1,0,1,0,0|2,0,0]=4 7295 B13R1.4975 CCCCN(CC)C(=O)[C@@H]1C[C@@H]1F 11a_100000207695_100015396687 [0,1,0,1,0,0|2,0,0]=4 7296 B13R1.4975 CCCCN(CC)C(=O)[C@@H]1C[C@@H]1F 240690a_100000207695_100015396687 [0,1,0,1,0,0|2,0,0]=4 7297 B13R1.4975 CCCCN(CC)C(=O)[C@@H]1C[C@@H]1F 527a_100000207695_100015396687 [0,1,0,1,0,0|2,0,0]=4 7298 B13R1.7456 C=C(C)CC(=O)C1CCCCCC1 1458a_100000749507_100000748629 [0,1,0,1,0,0|1,0,1]=4 7299 B13R1.7456 CC(=CC(=O)C1CCCCCC1)C 1458a_100000211388_100011217769 [0,1,0,1,0,0|1,0,1]=4 7300 B13R1.7456 CC(=CC(=O)C1CCCCCC1)Cl 1458a_200042562850_100011217769 [0,1,0,1,0,0|1,0,1]=4 7301 B13R1.7456 CC(=CC(=O)C1CCCCCC1)I 1458a_100025716642_100011217769 [0,1,0,1,0,0|1,0,1]=4 7302 B13R1.7456 CC(C)CC(=O)C1CCCCCC1 1458a_100000210554_100011217769 [0,1,0,1,0,0|1,0,0]=3 7303 B13R1.7456 CC(C)CC(=O)C1CCCCCC1 1458a_100000749507_100000210624 [0,1,0,1,0,0|1,0,0]=3 7304 B13R1.7456 CC(C)CC(=O)N1CCCCCC1 11a_100000185865_100000210554 [0,1,0,1,0,0|2,0,0]=4 7305 B13R1.7456 CC(C)CC(=O)N1CCCCCC1 1626a_100000185865_100000210554 [0,1,0,1,0,0|2,0,0]=4 7306 B13R1.7456 CC(C)CC(=O)N1CCCCCC1 240690a_100000185865_100000210554 [0,1,0,1,0,0|2,0,0]=4 7307 B13R1.7456 CC(C)CC(=O)N1CCCCCC1 527a_100000185865_100000210554 [0,1,0,1,0,0|2,0,0]=4 7308 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 11a_100138425928_100000749507 [0,1,0,1,0,0|1,0,0]=3 7309 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 1626a_100138425928_100000749507 [0,1,0,1,0,0|1,0,0]=3 7310 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 240690a_100138425928_100000749507 [0,1,0,1,0,0|1,0,0]=3 7311 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 527a_100138425928_100000749507 [0,1,0,1,0,0|1,0,0]=3 7312 B13R1.7456 CC(C)NC(=O)N1CCCCCC1 2708a_100138425928_100000185865 [0,1,0,1,0,0|2,0,0]=4 7313 B13R1.7456 CC(C)NC(=O)N1CCCCCC1 273464a_100138425928_100000185865 [0,1,0,1,0,0|2,0,0]=4 7314 B13R1.7456 CC(O)CC(=O)C1CCCCCC1 1458a_100000749507_100011218427 [0,1,0,1,0,0|1,0,0]=3 7315 B13R1.7456 CN(C)CC(=O)C1CCCCCC1 1458a_100000750896_100011217769 [0,1,0,1,0,0|2,0,0]=4 7316 B13R1.7456 C[C@@H](O)CC(=O)C1CCCCCC1 1458a_100011933948_100011217769 [0,1,0,1,0,0|1,0,0]=3 7317 B13R1.7456 C[C@@H](O)CC(=O)N1CCCCCC1 240690a_100000185865_100011933948 [0,1,0,1,0,0|2,0,0]=4 7318 B13R1.7456 C[S+](C)CC(=O)C1CCCCCC1 1458a_200159257847_100011217769 [0,1,0,1,0,0|2,0,0]=4 7319 B13R1.7456 O=C(CC(F)F)C1CCCCCC1 1458a_100000749507_100011934356 [0,1,0,1,0,0|2,0,0]=4 7320 B13R1.26 CCCCC(CC)N1CCCOC1 269982a_100000131196_200011216223 [0,1,0,1,0,0|2,0,0]=4 7321 B13R1.26 CCCCC(CC)N1CCCOC1 270004a_100000131196_100000753412 [0,1,0,1,0,0|2,0,0]=4 7322 B13R1.26 CCCCC(CC)N1CCCOC1 34a_100000131196_200011216223 [0,1,0,1,0,0|2,0,0]=4 7323 B13R1.21 C/C=C(\C)/C(=O)C1CCC(CC1)C 1458a_100020587367_200011216234 [0,1,0,1,0,0|1,0,1]=4 7324 B13R1.21 CC1CCC(CC1)C(=O)C(O)CO 1458a_100011215603_200011216234 [0,1,0,1,0,0|2,0,0]=4 7325 B13R1.21 CCC(C)C(=O)C1CCC(CC1)C 1458a_100011192722_200011216234 [0,1,0,1,0,0|1,0,0]=3 7326 B13R1.21 CCC(C)C(=O)C1CCC(CC1)O 1458a_100000743365_100000758301 [0,1,0,1,0,0|2,0,0]=4 7327 B13R1.21 CCC(C)C(=O)C1CCN(CC1)C 1458a_100000743488_100000758301 [0,1,0,1,0,0|2,0,0]=4 7328 B13R1.21 CCC(C)C(=O)N1CCC(CC1)C 240690a_100000188429_100011192722 [0,1,0,1,0,0|2,0,0]=4 7329 B13R1.21 CCC(C)C(=O)N1CCC(CC1)C 527a_100000188429_100011192722 [0,1,0,1,0,0|2,0,0]=4 7330 B13R1.21 CCC(C)C(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000758301 [0,1,0,1,0,0|1,0,0]=3 7331 B13R1.21 CCC(O)C(=O)C1CCC(CC1)C 1458a_100011196387_200011216234 [0,1,0,1,0,0|1,0,0]=3 7332 B13R1.21 CCC(O)C(=O)N1CCC(CC1)C 240690a_100000188429_100011196387 [0,1,0,1,0,0|2,0,0]=4 7333 B13R1.21 CCN(C)C(=O)C1CCC(CC1)O 1626a_100000225621_100000743365 [0,1,0,1,0,0|2,0,0]=4 7334 B13R1.21 CCN(C)C(=O)C1CCC(CC1)O 240690a_100000225621_100000743365 [0,1,0,1,0,0|2,0,0]=4 7335 B13R1.21 CCN(C)C(=O)C1CCC(CC1)O 527a_100000225621_100000743365 [0,1,0,1,0,0|2,0,0]=4 7336 B13R1.21 CCN(C)C(=O)C1CCN(CC1)C 240690a_100000225621_100000743488 [0,1,0,1,0,0|2,0,0]=4 7337 B13R1.21 CCN(C)C(=O)C1CCN(CC1)C 527a_100000225621_100000743488 [0,1,0,1,0,0|2,0,0]=4 7338 B13R1.21 CCN(C)C(=O)[C@H]1CC[C@@H](CC1)C 11a_100000225621_100009815934 [0,1,0,1,0,0|1,0,0]=3 7339 B13R1.21 CCN(C)C(=O)[C@H]1CC[C@@H](CC1)C 1626a_100000225621_100009815934 [0,1,0,1,0,0|1,0,0]=3 7340 B13R1.21 CCN(C)C(=O)[C@H]1CC[C@@H](CC1)C 240690a_100000225621_100009815934 [0,1,0,1,0,0|1,0,0]=3 7341 B13R1.21 CCN(C)C(=O)[C@H]1CC[C@@H](CC1)C 527a_100000225621_100009815934 [0,1,0,1,0,0|1,0,0]=3 7342 B13R1.21 CNC(=O)C(=O)C1CCC(CC1)C 1458a_100011218921_200011216234 [0,1,0,1,0,0|2,0,0]=4 7343 B13R1.21 COC(C)C(=O)C1CCC(CC1)C 1458a_100000743197_200011216234 [0,1,0,1,0,0|2,0,0]=4 7344 B13R1.21 CSC(C)C(=O)C1CCC(CC1)C 1458a_100000149566_200011216234 [0,1,0,1,0,0|2,0,0]=4 7345 B13R1.63 CCC(C)C(=O)C1CCN(C1)CC 1458a_100103286618_100000758301 [0,1,0,1,0,0|2,0,0]=4 7346 B13R1.63 CCN1CCC(C1)C(=O)N(C)CC 11a_100000225621_100103286618 [0,1,0,1,0,0|2,0,0]=4 7347 B13R1.63 CCN1CCC(C1)C(=O)N(C)CC 240690a_100000225621_100103286618 [0,1,0,1,0,0|2,0,0]=4 7348 B13R1.696 CCC(C)C(=O)C1CCCCC1C 1458a_100011215568_100000758301 [0,1,0,1,0,0|1,0,0]=3 7349 B13R1.696 CCC(C)C(=O)C1CCCCC1O 1458a_100011803323_100000758301 [0,1,0,1,0,0|2,0,0]=4 7350 B13R1.696 CCC(C)C(=O)N1CCCCC1C 11a_100000211376_100011192722 [0,1,0,1,0,0|2,0,0]=4 7351 B13R1.696 CCC(C)C(=O)N1CCCCC1C 1626a_100000211376_100011192722 [0,1,0,1,0,0|2,0,0]=4 7352 B13R1.696 CCC(C)C(=O)N1CCCCC1C 240690a_100000211376_100011192722 [0,1,0,1,0,0|2,0,0]=4 7353 B13R1.696 CCC(C)C(=O)N1CCCCC1C 527a_100000211376_100011192722 [0,1,0,1,0,0|2,0,0]=4 7354 B13R1.696 CCC(C)C(=O)[C@H]1CCCCN1C 1458a_100000767060_100000758301 [0,1,0,1,0,0|2,0,0]=4 7355 B13R1.696 CCC(O)C(=O)N1CCCCC1C 240690a_100000211376_100011196387 [0,1,0,1,0,0|2,0,0]=4 7356 B13R1.696 CCN(C)C(=O)C1CCCCC1C 11a_100000225621_100011215568 [0,1,0,1,0,0|1,0,0]=3 7357 B13R1.696 CCN(C)C(=O)C1CCCCC1C 1626a_100000225621_100011215568 [0,1,0,1,0,0|1,0,0]=3 7358 B13R1.696 CCN(C)C(=O)C1CCCCC1C 240690a_100000225621_100011215568 [0,1,0,1,0,0|1,0,0]=3 7359 B13R1.696 CCN(C)C(=O)C1CCCCC1C 527a_100000225621_100011215568 [0,1,0,1,0,0|1,0,0]=3 7360 B13R1.696 CCN(C)C(=O)[C@H]1CCCCN1C 11a_100000225621_100000767060 [0,1,0,1,0,0|2,0,0]=4 7361 B13R1.696 CCN(C)C(=O)[C@H]1CCCCN1C 1626a_100000225621_100000767060 [0,1,0,1,0,0|2,0,0]=4 7362 B13R1.696 CCN(C)C(=O)[C@H]1CCCCN1C 240690a_100000225621_100000767060 [0,1,0,1,0,0|2,0,0]=4 7363 B13R1.696 CCN(C)C(=O)[C@H]1CCCCN1C 527a_100000225621_100000767060 [0,1,0,1,0,0|2,0,0]=4 7364 B13R1.1253 CCCN1CCN(C(=O)C1CC)C 2230a_100015184039_100000210303 [0,1,0,1,0,0|2,0,0]=4 7365 B13R1.1253 CCCN1CCN(C(=O)C1CC)C 269982a_100015184039_100000210303 [0,1,0,1,0,0|2,0,0]=4 7366 B13R1.1253 CCCN1CCN(C(=O)C1CC)C 34a_100015184039_100000210303 [0,1,0,1,0,0|2,0,0]=4 7367 B13R1.1917 CCCNC1CCCCN(C1=O)C 2230a_100159325733_100000210303 [0,1,0,1,0,0|2,0,0]=4 7368 B13R1.1917 CCCNC1CCCCN(C1=O)C 34a_100159325733_100000210303 [0,1,0,1,0,0|2,0,0]=4 7369 B13R1.1922 CCCCC(CC)C(=O)C1CCC1 1458a_100000209988_200011216223 [0,1,0,1,0,0|1,0,0]=3 7370 B13R1.1922 CCCCC(CC)C(=O)C1CCC1 1458a_100000211130_100000749161 [0,1,0,1,0,0|1,0,0]=3 7371 B13R1.1922 CCCCC(CC)C(=O)C1CCO1 1458a_100000089072_200011216223 [0,1,0,1,0,0|0,0,0]=2 7372 B13R1.1922 CCCCC(CC)C(=O)C1COC1 1458a_100000211130_100000687716 [0,1,0,1,0,0|1,0,0]=3 7373 B13R1.1922 CCCCC(CC)C(=O)C1COC1 1458a_100000758290_200011216223 [0,1,0,1,0,0|1,0,0]=3 7374 B13R1.1922 CCCCC(CC)C(=O)N1CCC1 11a_100000754969_100000211130 [0,1,0,1,0,0|1,0,0]=3 7375 B13R1.1922 CCCCC(CC)C(=O)N1CCC1 240690a_100000754969_100000211130 [0,1,0,1,0,0|1,0,0]=3 7376 B13R1.1922 CCCCC(CC)C(=O)N1CCC1 527a_100000754969_100000211130 [0,1,0,1,0,0|1,0,0]=3 7377 B13R1.1922 CCCCN(CC)C(=O)C1CCC1 11a_100000207695_100000209988 [0,1,0,1,0,0|2,0,0]=4 7378 B13R1.1922 CCCCN(CC)C(=O)C1CCC1 1626a_100000207695_100000209988 [0,1,0,1,0,0|2,0,0]=4 7379 B13R1.1922 CCCCN(CC)C(=O)C1CCC1 240690a_100000207695_100000209988 [0,1,0,1,0,0|2,0,0]=4 7380 B13R1.1922 CCCCN(CC)C(=O)C1CCC1 527a_100000207695_100000209988 [0,1,0,1,0,0|2,0,0]=4 7381 B13R1.1922 CCCCN(CC)C(=O)C1CCO1 11a_100000207695_100000089072 [0,1,0,1,0,0|1,0,0]=3 7382 B13R1.1922 CCCCN(CC)C(=O)C1CCO1 1626a_100000207695_100000089072 [0,1,0,1,0,0|1,0,0]=3 7383 B13R1.1922 CCCCN(CC)C(=O)C1CCO1 240690a_100000207695_100000089072 [0,1,0,1,0,0|1,0,0]=3 7384 B13R1.1922 CCCCN(CC)C(=O)C1CCO1 527a_100000207695_100000089072 [0,1,0,1,0,0|1,0,0]=3 7385 B13R1.1922 CCCCN(CC)C(=O)C1COC1 11a_100000207695_100000758290 [0,1,0,1,0,0|2,0,0]=4 7386 B13R1.1922 CCCCN(CC)C(=O)C1COC1 1626a_100000207695_100000758290 [0,1,0,1,0,0|2,0,0]=4 7387 B13R1.1922 CCCCN(CC)C(=O)C1COC1 240690a_100000207695_100000758290 [0,1,0,1,0,0|2,0,0]=4 7388 B13R1.1922 CCCCN(CC)C(=O)C1COC1 527a_100000207695_100000758290 [0,1,0,1,0,0|2,0,0]=4 7389 B13R1.1922 CCN(CCOC)C(=O)C1CCO1 11a_100000731262_100000089072 [0,1,0,1,0,0|2,0,0]=4 7390 B13R1.1922 CCN(CCOC)C(=O)C1CCO1 1626a_100000731262_100000089072 [0,1,0,1,0,0|2,0,0]=4 7391 B13R1.1922 CCN(CCOC)C(=O)C1CCO1 240690a_100000731262_100000089072 [0,1,0,1,0,0|2,0,0]=4 7392 B13R1.1922 CCN(CCOC)C(=O)C1CCO1 527a_100000731262_100000089072 [0,1,0,1,0,0|2,0,0]=4 7393 B13R1.1923 CCCCC(CC)C(=O)C1(CC1)C 1458a_100000756474_200011216223 [0,1,0,1,0,0|1,0,0]=3 7394 B13R1.1923 CCCCC(CC)C(=O)C1(CC1)F 1458a_100000055089_200011216223 [0,1,0,1,0,0|1,0,0]=3 7395 B13R1.1923 CCCCC(CC)C(=O)C1(CC1)O 1458a_100000241761_200011216223 [0,1,0,1,0,0|1,0,0]=3 7396 B13R1.1923 CCCCN(CC)C(=O)C1(CC1)C 11a_100000207695_100000756474 [0,1,0,1,0,0|2,0,0]=4 7397 B13R1.1923 CCCCN(CC)C(=O)C1(CC1)C 1626a_100000207695_100000756474 [0,1,0,1,0,0|2,0,0]=4 7398 B13R1.1923 CCCCN(CC)C(=O)C1(CC1)C 240690a_100000207695_100000756474 [0,1,0,1,0,0|2,0,0]=4 7399 B13R1.1923 CCCCN(CC)C(=O)C1(CC1)C 527a_100000207695_100000756474 [0,1,0,1,0,0|2,0,0]=4 7400 B13R1.1923 CCCCN(CC)C(=O)C1(CC1)F 11a_100000207695_100000055089 [0,1,0,1,0,0|2,0,0]=4 7401 B13R1.1923 CCCCN(CC)C(=O)C1(CC1)F 1626a_100000207695_100000055089 [0,1,0,1,0,0|2,0,0]=4 7402 B13R1.1923 CCCCN(CC)C(=O)C1(CC1)F 240690a_100000207695_100000055089 [0,1,0,1,0,0|2,0,0]=4 7403 B13R1.1923 CCCCN(CC)C(=O)C1(CC1)F 527a_100000207695_100000055089 [0,1,0,1,0,0|2,0,0]=4 7404 B13R1.1923 CCCCN(CC)C(=O)C1(CC1)O 240690a_100000207695_100000241761 [0,1,0,1,0,0|2,0,0]=4 7405 B13R1.2620 C/C=C(\C)/C(=O)C1CCCCCC1 1458a_100020587367_100011217769 [0,1,0,1,0,0|1,0,1]=4 7406 B13R1.2620 CCC(C)C(=O)C1CCCCCC1 1458a_100000749507_100000758301 [0,1,0,1,0,0|1,0,0]=3 7407 B13R1.2620 CCC(C)C(=O)C1CCCCCC1 1458a_100011192722_100011217769 [0,1,0,1,0,0|1,0,0]=3 7408 B13R1.2620 CCC(C)C(=O)N1CCCCCC1 11a_100000185865_100011192722 [0,1,0,1,0,0|2,0,0]=4 7409 B13R1.2620 CCC(C)C(=O)N1CCCCCC1 1626a_100000185865_100011192722 [0,1,0,1,0,0|2,0,0]=4 7410 B13R1.2620 CCC(C)C(=O)N1CCCCCC1 240690a_100000185865_100011192722 [0,1,0,1,0,0|2,0,0]=4 7411 B13R1.2620 CCC(C)C(=O)N1CCCCCC1 527a_100000185865_100011192722 [0,1,0,1,0,0|2,0,0]=4 7412 B13R1.2620 CCC(O)C(=O)C1CCCCCC1 1458a_100011196387_100011217769 [0,1,0,1,0,0|1,0,0]=3 7413 B13R1.2620 CCC(O)C(=O)N1CCCCCC1 240690a_100000185865_100011196387 [0,1,0,1,0,0|2,0,0]=4 7414 B13R1.2620 CCN(C)C(=O)C1CCCCCC1 11a_100000225621_100000749507 [0,1,0,1,0,0|1,0,0]=3 7415 B13R1.2620 CCN(C)C(=O)C1CCCCCC1 1626a_100000225621_100000749507 [0,1,0,1,0,0|1,0,0]=3 7416 B13R1.2620 CCN(C)C(=O)C1CCCCCC1 240690a_100000225621_100000749507 [0,1,0,1,0,0|1,0,0]=3 7417 B13R1.2620 CCN(C)C(=O)C1CCCCCC1 527a_100000225621_100000749507 [0,1,0,1,0,0|1,0,0]=3 7418 B13R1.2620 CNC(=O)C(=O)C1CCCCCC1 1458a_100011218921_100011217769 [0,1,0,1,0,0|2,0,0]=4 7419 B13R1.2620 COC(C)C(=O)C1CCCCCC1 1458a_100000743197_100011217769 [0,1,0,1,0,0|2,0,0]=4 7420 B13R1.2620 CSC(C)C(=O)C1CCCCCC1 1458a_100000149566_100011217769 [0,1,0,1,0,0|2,0,0]=4 7421 B13R1.2620 O=C(C(O)CO)C1CCCCCC1 1458a_100011215603_100011217769 [0,1,0,1,0,0|2,0,0]=4 7422 B13R1.2632 CCC(C)C(=O)N(CC)C1CCC1 11a_100000758130_100011192722 [0,1,0,1,0,0|2,0,0]=4 7423 B13R1.2632 CCC(C)C(=O)N(CC)C1CCC1 1626a_100000758130_100011192722 [0,1,0,1,0,0|2,0,0]=4 7424 B13R1.2632 CCC(C)C(=O)N(CC)C1CCC1 240690a_100000758130_100011192722 [0,1,0,1,0,0|2,0,0]=4 7425 B13R1.2632 CCC(C)C(=O)N(CC)C1CCC1 527a_100000758130_100011192722 [0,1,0,1,0,0|2,0,0]=4 7426 B13R1.2632 CCC(O)C(=O)N(CC)C1CCC1 240690a_100000758130_100011196387 [0,1,0,1,0,0|2,0,0]=4 7427 B13R1.3395 CCCCC1C(=O)N(CCN1C)C 2230a_200000068537_200000210301 [0,1,0,1,0,0|2,0,0]=4 7428 B13R1.3395 CCCCC1C(=O)N(CCN1C)C 269982a_200000068537_200000210301 [0,1,0,1,0,0|2,0,0]=4 7429 B13R1.3395 CCCCC1C(=O)N(CCN1C)C 34a_200000068537_200000210301 [0,1,0,1,0,0|2,0,0]=4 7430 B13R1.3395 CCCCC1C(=O)N(CCN1[13CH3])C 2230a_200000068537_200025704644 [0,1,0,1,0,0|2,0,0]=4 7431 B13R1.3395 CCCCC1C(=O)N(CCN1[13CH3])C 269982a_200000068537_200025704644 [0,1,0,1,0,0|2,0,0]=4 7432 B13R1.3395 CCCCC1C(=O)N(CCN1[13CH3])C 34a_200000068537_200025704644 [0,1,0,1,0,0|2,0,0]=4 7433 B13R1.356 CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000210202 [0,1,0,1,0,0|1,0,1]=4 7434 B13R1.356 CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100121572206_200009893639 [0,1,0,1,0,0|1,0,1]=4 7435 B13R1.356 CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000210202 [0,1,0,1,0,0|1,0,1]=4 7436 B13R1.1497 CCOC(=O)C(C(=O)C)N1CCC1 269982a_100000754969_100009831564 [0,1,0,1,0,0|1,0,1]=4 7437 B13R1.1497 CCOC(=O)C(C(C)C)N1CCC1 269982a_100000754969_100000740032 [0,1,0,1,0,0|1,0,0]=3 7438 B13R1.1510 CCCC(=O)N1CCC(C1(C)C)C 11a_102516457003_100000211992 [0,1,0,1,0,0|2,0,0]=4 7439 B13R1.1510 CCCC(=O)N1CCC(C1(C)C)C 1626a_102516457003_100000211992 [0,1,0,1,0,0|2,0,0]=4 7440 B13R1.1510 CCCC(=O)N1CCC(C1(C)C)C 240690a_102516457003_100000211992 [0,1,0,1,0,0|2,0,0]=4 7441 B13R1.1510 CCCC(=O)N1CCC(C1(C)C)C 527a_102516457003_100000211992 [0,1,0,1,0,0|2,0,0]=4 7442 B13R1.1510 CCNC(=O)N1CCC(C1(C)C)C 2708a_100015525214_102516457003 [0,1,0,1,0,0|2,0,0]=4 7443 B13R1.1510 CCNC(=O)N1CCC(C1(C)C)C 273464a_100015525214_102516457003 [0,1,0,1,0,0|2,0,0]=4 7444 B13R1.2897 CCCN1CCNC(=O)C1C(C)C 2230a_100000751287_100000210303 [0,1,0,1,0,0|2,0,0]=4 7445 B13R1.2897 CCCN1CCNC(=O)C1C(C)C 269982a_100000751287_100000210303 [0,1,0,1,0,0|2,0,0]=4 7446 B13R1.2897 CCCN1CCNC(=O)C1C(C)C 34a_100000751287_100000210303 [0,1,0,1,0,0|2,0,0]=4 7447 B13R1.3593 CCCCN(C(=O)C1CC1)C(C)C 11a_100000207398_100000210395 [0,1,0,1,0,0|2,0,0]=4 7448 B13R1.3593 CCCCN(C(=O)C1CC1)C(C)C 1626a_100000207398_100000210395 [0,1,0,1,0,0|2,0,0]=4 7449 B13R1.3593 CCCCN(C(=O)C1CC1)C(C)C 240690a_100000207398_100000210395 [0,1,0,1,0,0|2,0,0]=4 7450 B13R1.3593 CCCCN(C(=O)C1CC1)C(C)C 527a_100000207398_100000210395 [0,1,0,1,0,0|2,0,0]=4 7451 B13R1.4441 CCCC(=O)N(CC1CC1)C(C)C 11a_100000738798_100000211992 [0,1,0,1,0,0|2,0,0]=4 7452 B13R1.4441 CCCC(=O)N(CC1CC1)C(C)C 1626a_100000738798_100000211992 [0,1,0,1,0,0|2,0,0]=4 7453 B13R1.4441 CCCC(=O)N(CC1CC1)C(C)C 240690a_100000738798_100000211992 [0,1,0,1,0,0|2,0,0]=4 7454 B13R1.4441 CCCC(=O)N(CC1CC1)C(C)C 527a_100000738798_100000211992 [0,1,0,1,0,0|2,0,0]=4 7455 B13R1.4441 CCNC(=O)N(CC1CC1)C(C)C 2708a_100015525214_100000738798 [0,1,0,1,0,0|2,0,0]=4 7456 B13R1.4441 CCNC(=O)N(CC1CC1)C(C)C 273464a_100015525214_100000738798 [0,1,0,1,0,0|2,0,0]=4 7457 B13R1.4441 CCOC(=O)C(NC1CC1)C(=O)C 34a_100000212008_100009831564 [0,1,0,1,0,0|1,0,1]=4 7458 B13R1.4441 CCOC(=O)C(NC1CC1)C(C)C 34a_100000212008_100000740032 [0,1,0,1,0,0|1,0,0]=3 7459 B13R1.4441 CCOC(=O)C(SC1CC1)C(=O)C 62a_100000211040_100000211595 [0,1,0,1,0,0|1,0,1]=4 7460 B13R1.4441 CCOC(=O)C(SC1CC1)C(C)C 62a_100000740032_100000211595 [0,1,0,1,0,0|1,0,0]=3 7461 B13R1.6408 CCCOC1(CCOC1=O)C(=O)C 34a_100000210258_100000088255 [0,1,0,1,0,0|1,0,1]=4 7462 B13R1.6408 CCCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000210303 [0,1,0,1,0,0|1,0,1]=4 7463 B13R1.6408 CCCSC1(CCOC1=O)C(=O)C 62a_100000210303_100000088255 [0,1,0,1,0,0|1,0,1]=4 7464 B13R1.17 C#CCCC(=O)C1CCC(CC1)C 1458a_100000692101_200011216234 [0,1,0,1,0,0|1,0,1]=4 7465 B13R1.17 C#CCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000753159 [0,1,0,1,0,0|1,0,1]=4 7466 B13R1.17 C#CCNC(=O)[C@H]1CC[C@@H](CC1)C 11a_100000212058_100009815934 [0,1,0,1,0,0|1,0,1]=4 7467 B13R1.17 C#CCNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100000212058_100009815934 [0,1,0,1,0,0|1,0,1]=4 7468 B13R1.17 C#CCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100000212058_100009815934 [0,1,0,1,0,0|1,0,1]=4 7469 B13R1.17 C#CCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100000212058_100009815934 [0,1,0,1,0,0|1,0,1]=4 7470 B13R1.17 C/C=C/CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100102629194 [0,1,0,1,0,0|1,0,1]=4 7471 B13R1.17 C=CCCC(=O)C1CCC(CC1)C 1458a_100000749702_200011216234 [0,1,0,1,0,0|1,0,1]=4 7472 B13R1.17 C=CCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000754431 [0,1,0,1,0,0|1,0,1]=4 7473 B13R1.17 C=CCNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100020586998_100009815934 [0,1,0,1,0,0|1,0,1]=4 7474 B13R1.17 C=CCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100020586998_100009815934 [0,1,0,1,0,0|1,0,1]=4 7475 B13R1.17 C=CCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100020586998_100009815934 [0,1,0,1,0,0|1,0,1]=4 7476 B13R1.17 CC#CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000748600 [0,1,0,1,0,0|1,0,1]=4 7477 B13R1.17 CC1CCC(CC1)C(=O)C#CCO 1458a_100000049017_200011216234 [0,1,0,1,0,0|1,0,1]=4 7478 B13R1.17 CC1CCC(CC1)C(=O)CCC#N 1458a_100011934036_200011216234 [0,1,0,1,0,0|1,0,1]=4 7479 B13R1.17 CC1CCN(CC1)C(=O)CCS[13CH3] 62a_100011194420_200025704644 [0,1,0,1,0,0|2,0,0]=4 7480 B13R1.17 CC1CCN(CC1)C(=O)CCS[13CH3] 62a_200025704644_100011194420 [0,1,0,1,0,0|2,0,0]=4 7481 B13R1.17 CC1CCN(CC1)C(=O)NCCF 273464a_100000724931_100000188429 [0,1,0,1,0,0|2,0,0]=4 7482 B13R1.17 CC1CCN(CC1)C(=O)NCCO 273464a_100000210304_100000188429 [0,1,0,1,0,0|2,0,0]=4 7483 B13R1.17 CC=CCC(=O)C1CCC(CC1)C 1458a_100121576822_200011216234 [0,1,0,1,0,0|1,0,1]=4 7484 B13R1.17 CC=CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000070051 [0,1,0,1,0,0|1,0,1]=4 7485 B13R1.17 CCC#CC(=O)C1CCC(CC1)C 1458a_100011827653_200011216234 [0,1,0,1,0,0|1,0,0]=3 7486 B13R1.17 CCC=CC(=O)C1CCC(CC1)C 1458a_100000212282_200011216234 [0,1,0,1,0,0|1,0,0]=3 7487 B13R1.17 CCC=CC(=O)N1CCC(CC1)C 240690a_100000188429_100000212282 [0,1,0,1,0,0|2,0,0]=4 7488 B13R1.17 CCCCC(=O)C1CCC(CC1)C 1458a_100000210183_200011216234 [0,1,0,1,0,0|1,0,0]=3 7489 B13R1.17 CCCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210211 [0,1,0,1,0,0|2,0,0]=4 7490 B13R1.17 CCCCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210211 [0,1,0,1,0,0|2,0,0]=4 7491 B13R1.17 CCCCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210183 [0,1,0,1,0,0|2,0,0]=4 7492 B13R1.17 CCCCC(=O)N1CCC(CC1)C 527a_100000188429_100000210183 [0,1,0,1,0,0|2,0,0]=4 7493 B13R1.17 CCCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210211 [0,1,0,1,0,0|1,0,0]=3 7494 B13R1.17 CCCNC(=O)C1CCC(CC1)O 1626a_100020643023_100000743365 [0,1,0,1,0,0|2,0,0]=4 7495 B13R1.17 CCCNC(=O)C1CCC(CC1)O 240690a_100020643023_100000743365 [0,1,0,1,0,0|2,0,0]=4 7496 B13R1.17 CCCNC(=O)C1CCC(CC1)O 527a_100020643023_100000743365 [0,1,0,1,0,0|2,0,0]=4 7497 B13R1.17 CCCNC(=O)C1CCN(CC1)C 2230a_100000753480_200000210301 [0,1,0,1,0,0|2,0,0]=4 7498 B13R1.17 CCCNC(=O)C1CCN(CC1)C 240690a_100020643023_100000743488 [0,1,0,1,0,0|2,0,0]=4 7499 B13R1.17 CCCNC(=O)C1CCN(CC1)C 269982a_100000753480_200000210301 [0,1,0,1,0,0|2,0,0]=4 7500 B13R1.17 CCCNC(=O)C1CCN(CC1)C 34a_100000753480_200000210301 [0,1,0,1,0,0|2,0,0]=4 7501 B13R1.17 CCCNC(=O)C1CCN(CC1)C 527a_100020643023_100000743488 [0,1,0,1,0,0|2,0,0]=4 7502 B13R1.17 CCCNC(=O)C1CCN(CC1)[13CH3] 2230a_100000753480_200025704644 [0,1,0,1,0,0|2,0,0]=4 7503 B13R1.17 CCCNC(=O)C1CCN(CC1)[13CH3] 269982a_100000753480_200025704644 [0,1,0,1,0,0|2,0,0]=4 7504 B13R1.17 CCCNC(=O)C1CCN(CC1)[13CH3] 34a_100000753480_200025704644 [0,1,0,1,0,0|2,0,0]=4 7505 B13R1.17 CCCNC(=O)N1CCC(CC1)C 2708a_100020643023_100000188429 [0,1,0,1,0,0|2,0,0]=4 7506 B13R1.17 CCCNC(=O)N1CCC(CC1)C 273464a_100020643023_100000188429 [0,1,0,1,0,0|2,0,0]=4 7507 B13R1.17 CCCNC(=O)[C@H]1CC[C@@H](CC1)C 11a_100020643023_100009815934 [0,1,0,1,0,0|1,0,0]=3 7508 B13R1.17 CCCNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100020643023_100009815934 [0,1,0,1,0,0|1,0,0]=3 7509 B13R1.17 CCCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100020643023_100009815934 [0,1,0,1,0,0|1,0,0]=3 7510 B13R1.17 CCCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100020643023_100009815934 [0,1,0,1,0,0|1,0,0]=3 7511 B13R1.17 CCNCC(=O)N1CCC(CC1)C 2230a_100015525214_100000182867 [0,1,0,1,0,0|2,0,0]=4 7512 B13R1.17 CCNNC(=O)C1CCC(CC1)O 22a_100000756455_100000743365 [0,1,0,1,0,0|2,0,0]=4 7513 B13R1.17 CCNNC(=O)C1CCN(CC1)C 22a_100000756455_100000743488 [0,1,0,1,0,0|2,0,0]=4 7514 B13R1.17 CCNNC(=O)[C@H]1CC[C@@H](CC1)C 22a_100000756455_100009815934 [0,1,0,1,0,0|1,0,0]=3 7515 B13R1.17 CCOCC(=O)C1CCC(CC1)C 1458a_100000211967_200011216234 [0,1,0,1,0,0|0,0,0]=2 7516 B13R1.17 CCOCC(=O)N1CCC(CC1)C 240690a_100000188429_100000211967 [0,1,0,1,0,0|1,0,0]=3 7517 B13R1.17 CCOCC(=O)N1CCC(CC1)C 34a_100121572206_100000182867 [0,1,0,1,0,0|1,0,0]=3 7518 B13R1.17 CCOCC(=O)N1CCC(CC1)C 527a_100000188429_100000211967 [0,1,0,1,0,0|1,0,0]=3 7519 B13R1.17 CCOCC(=O)N1CCC(CC1)F 11a_100015193889_100000211967 [0,1,0,1,0,0|2,0,0]=4 7520 B13R1.17 CCOCC(=O)N1CCC(CC1)F 1626a_100015193889_100000211967 [0,1,0,1,0,0|2,0,0]=4 7521 B13R1.17 CCOCC(=O)N1CCC(CC1)F 240690a_100015193889_100000211967 [0,1,0,1,0,0|2,0,0]=4 7522 B13R1.17 CCOCC(=O)N1CCC(CC1)F 527a_100015193889_100000211967 [0,1,0,1,0,0|2,0,0]=4 7523 B13R1.17 CCOCC(=O)N1CCC(CC1)O 240690a_100025773856_100000211967 [0,1,0,1,0,0|2,0,0]=4 7524 B13R1.17 CCOCC(=O)N1CCC(CC1)O 527a_100025773856_100000211967 [0,1,0,1,0,0|2,0,0]=4 7525 B13R1.17 CCOCC(=O)N1CCN(CC1)C 11a_100000188432_100000211967 [0,1,0,1,0,0|2,0,0]=4 7526 B13R1.17 CCOCC(=O)N1CCN(CC1)C 240690a_100000188432_100000211967 [0,1,0,1,0,0|2,0,0]=4 7527 B13R1.17 CCOCC(=O)N1CCN(CC1)C 527a_100000188432_100000211967 [0,1,0,1,0,0|2,0,0]=4 7528 B13R1.17 CCSCC(=O)C1CCC(CC1)C 1458a_100000230394_200011216234 [0,1,0,1,0,0|0,1,0]=3 7529 B13R1.17 CCSCC(=O)N1CCC(CC1)C 240690a_100000188429_100000230394 [0,1,0,1,0,0|1,1,0]=4 7530 B13R1.17 CCSCC(=O)N1CCC(CC1)C 527a_100000188429_100000230394 [0,1,0,1,0,0|1,1,0]=4 7531 B13R1.17 CCSCC(=O)N1CCC(CC1)C 62a_100000182867_100000210202 [0,1,0,1,0,0|1,1,0]=4 7532 B13R1.17 CCSCC(=O)N1CCC(CC1)C 62a_100000210202_100000182867 [0,1,0,1,0,0|1,1,0]=4 7533 B13R1.17 CN1CCC(CC1)C(=O)CCCF 1458a_100000743488_100011934791 [0,1,0,1,0,0|2,0,0]=4 7534 B13R1.17 CN1CCC(CC1)C(=O)CCCO 1458a_100000743488_100011215043 [0,1,0,1,0,0|2,0,0]=4 7535 B13R1.17 CN1CCC(CC1)C(=O)NCCF 240690a_100000724931_100000743488 [0,1,0,1,0,0|2,0,0]=4 7536 B13R1.17 CN1CCC(CC1)C(=O)NCCF 527a_100000724931_100000743488 [0,1,0,1,0,0|2,0,0]=4 7537 B13R1.17 CN1CCC(CC1)C(=O)NCCO 2230a_100025771131_200000210301 [0,1,0,1,0,0|2,0,0]=4 7538 B13R1.17 CN1CCC(CC1)C(=O)NCCO 240690a_100000210304_100000743488 [0,1,0,1,0,0|2,0,0]=4 7539 B13R1.17 CN1CCC(CC1)C(=O)NCCO 269982a_100025771131_200000210301 [0,1,0,1,0,0|2,0,0]=4 7540 B13R1.17 CN1CCC(CC1)C(=O)NCCO 34a_100025771131_200000210301 [0,1,0,1,0,0|2,0,0]=4 7541 B13R1.17 CN1CCC(CC1)C(=O)NCCO 527a_100000210304_100000743488 [0,1,0,1,0,0|2,0,0]=4 7542 B13R1.17 CNCCC(=O)N1CCC(CC1)C 2230a_106832991635_100011194420 [0,1,0,1,0,0|2,0,0]=4 7543 B13R1.17 CNCCC(=O)N1CCC(CC1)C 34a_100102657272_100011194420 [0,1,0,1,0,0|2,0,0]=4 7544 B13R1.17 CNCCC(=O)N1CCC(CC1)C 7a_106832991635_100011194420 [0,1,0,1,0,0|2,0,0]=4 7545 B13R1.17 COC=CC(=O)C1CCC(CC1)C 1458a_100016268678_200011216234 [0,1,0,1,0,0|1,0,1]=4 7546 B13R1.17 COCCC(=O)C1CCC(CC1)C 1458a_100000749529_200011216234 [0,1,0,1,0,0|1,0,0]=3 7547 B13R1.17 COCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000233755 [0,1,0,1,0,0|2,0,0]=4 7548 B13R1.17 COCCC(=O)C1CCN(CC1)C 1458a_100000743488_100000233755 [0,1,0,1,0,0|2,0,0]=4 7549 B13R1.17 COCCC(=O)N1CCC(CC1)C 240690a_100000188429_100000749529 [0,1,0,1,0,0|2,0,0]=4 7550 B13R1.17 COCCC(=O)N1CCC(CC1)C 34a_100138415774_100011194420 [0,1,0,1,0,0|2,0,0]=4 7551 B13R1.17 COCCC(=O)N1CCC(CC1)C 527a_100000188429_100000749529 [0,1,0,1,0,0|2,0,0]=4 7552 B13R1.17 COCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000233755 [0,1,0,1,0,0|1,0,0]=3 7553 B13R1.17 CSCCC(=O)C1CCC(CC1)C 1458a_100000174002_200011216234 [0,1,0,1,0,0|1,0,0]=3 7554 B13R1.17 CSCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000751147 [0,1,0,1,0,0|2,0,0]=4 7555 B13R1.17 CSCCC(=O)C1CCN(CC1)C 1458a_100000743488_100000751147 [0,1,0,1,0,0|2,0,0]=4 7556 B13R1.17 CSCCC(=O)N1CCC(CC1)C 240690a_100000188429_100000174002 [0,1,0,1,0,0|2,0,0]=4 7557 B13R1.17 CSCCC(=O)N1CCC(CC1)C 527a_100000188429_100000174002 [0,1,0,1,0,0|2,0,0]=4 7558 B13R1.17 CSCCC(=O)N1CCC(CC1)C 62a_100011194420_200000210301 [0,1,0,1,0,0|2,0,0]=4 7559 B13R1.17 CSCCC(=O)N1CCC(CC1)C 62a_200000210301_100011194420 [0,1,0,1,0,0|2,0,0]=4 7560 B13R1.17 CSCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000751147 [0,1,0,1,0,0|1,0,0]=3 7561 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)CCC#N 1458a_100009815934_100011215226 [0,1,0,1,0,0|1,0,1]=4 7562 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)CCCF 1458a_100009815934_100011934791 [0,1,0,1,0,0|1,0,0]=3 7563 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)CCCO 1458a_100009815934_100011215043 [0,1,0,1,0,0|1,0,0]=3 7564 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)NCC#N 1626a_100000734998_100009815934 [0,1,0,1,0,0|1,0,1]=4 7565 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)NCC#N 527a_100000734998_100009815934 [0,1,0,1,0,0|1,0,1]=4 7566 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)NCCF 11a_100000724931_100009815934 [0,1,0,1,0,0|1,0,0]=3 7567 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)NCCF 1626a_100000724931_100009815934 [0,1,0,1,0,0|1,0,0]=3 7568 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)NCCF 240690a_100000724931_100009815934 [0,1,0,1,0,0|1,0,0]=3 7569 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)NCCF 527a_100000724931_100009815934 [0,1,0,1,0,0|1,0,0]=3 7570 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)NCCO 240690a_100000210304_100009815934 [0,1,0,1,0,0|1,0,0]=3 7571 B13R1.17 C[C@H]1CC[C@@H](CC1)C(=O)NCCO 527a_100000210304_100009815934 [0,1,0,1,0,0|1,0,0]=3 7572 B13R1.17 O=C(CCCF)C1CCC(CC1)O 1458a_100000743365_100011934791 [0,1,0,1,0,0|2,0,0]=4 7573 B13R1.17 O=C(CCCO)C1CCC(CC1)O 1458a_100000743365_100011215043 [0,1,0,1,0,0|2,0,0]=4 7574 B13R1.17 O=C(NCCF)C1CCC(CC1)O 1626a_100000724931_100000743365 [0,1,0,1,0,0|2,0,0]=4 7575 B13R1.17 O=C(NCCF)C1CCC(CC1)O 240690a_100000724931_100000743365 [0,1,0,1,0,0|2,0,0]=4 7576 B13R1.17 O=C(NCCF)C1CCC(CC1)O 527a_100000724931_100000743365 [0,1,0,1,0,0|2,0,0]=4 7577 B13R1.17 O=C(NCCO)C1CCC(CC1)O 240690a_100000210304_100000743365 [0,1,0,1,0,0|2,0,0]=4 7578 B13R1.17 O=C(NCCO)C1CCC(CC1)O 527a_100000210304_100000743365 [0,1,0,1,0,0|2,0,0]=4 7579 B13R1.17 [13CH3]N1CCC(CC1)C(=O)NCCO 2230a_100025771131_200025704644 [0,1,0,1,0,0|2,0,0]=4 7580 B13R1.17 [13CH3]N1CCC(CC1)C(=O)NCCO 269982a_100025771131_200025704644 [0,1,0,1,0,0|2,0,0]=4 7581 B13R1.17 [13CH3]N1CCC(CC1)C(=O)NCCO 34a_100025771131_200025704644 [0,1,0,1,0,0|2,0,0]=4 7582 B13R1.579 CCCCC1CCCC1=NNCC 4a_100000756455_100000750825 [0,1,0,1,0,0|2,0,0]=4 7583 B13R1.674 C#CCCC(=O)C1CCCCC1C 1458a_100011215568_100000753159 [0,1,0,1,0,0|1,0,1]=4 7584 B13R1.674 C#CCNC(=O)C1CCCCC1C 11a_100000212058_100011215568 [0,1,0,1,0,0|1,0,1]=4 7585 B13R1.674 C#CCNC(=O)C1CCCCC1C 1626a_100000212058_100011215568 [0,1,0,1,0,0|1,0,1]=4 7586 B13R1.674 C#CCNC(=O)C1CCCCC1C 240690a_100000212058_100011215568 [0,1,0,1,0,0|1,0,1]=4 7587 B13R1.674 C#CCNC(=O)C1CCCCC1C 527a_100000212058_100011215568 [0,1,0,1,0,0|1,0,1]=4 7588 B13R1.674 C/C=C/CC(=O)C1CCCCC1C 1458a_100011215568_100102629194 [0,1,0,1,0,0|1,0,1]=4 7589 B13R1.674 C=CCCC(=O)C1CCCCC1C 1458a_100011215568_100000754431 [0,1,0,1,0,0|1,0,1]=4 7590 B13R1.674 C=CCNC(=O)C1CCCCC1C 1626a_100020586998_100011215568 [0,1,0,1,0,0|1,0,1]=4 7591 B13R1.674 C=CCNC(=O)C1CCCCC1C 240690a_100020586998_100011215568 [0,1,0,1,0,0|1,0,1]=4 7592 B13R1.674 C=CCNC(=O)C1CCCCC1C 527a_100020586998_100011215568 [0,1,0,1,0,0|1,0,1]=4 7593 B13R1.674 CC#CCC(=O)C1CCCCC1C 1458a_100011215568_100000748600 [0,1,0,1,0,0|1,0,1]=4 7594 B13R1.674 CC1CCCCC1C(=O)CCC#N 1458a_100011215568_100011215226 [0,1,0,1,0,0|1,0,1]=4 7595 B13R1.674 CC1CCCCC1C(=O)CCCF 1458a_100011215568_100011934791 [0,1,0,1,0,0|1,0,0]=3 7596 B13R1.674 CC1CCCCC1C(=O)CCCO 1458a_100011215568_100011215043 [0,1,0,1,0,0|1,0,0]=3 7597 B13R1.674 CC1CCCCC1C(=O)NCC#N 1626a_100000734998_100011215568 [0,1,0,1,0,0|1,0,1]=4 7598 B13R1.674 CC1CCCCC1C(=O)NCC#N 527a_100000734998_100011215568 [0,1,0,1,0,0|1,0,1]=4 7599 B13R1.674 CC1CCCCC1C(=O)NCCF 11a_100000724931_100011215568 [0,1,0,1,0,0|1,0,0]=3 7600 B13R1.674 CC1CCCCC1C(=O)NCCF 1626a_100000724931_100011215568 [0,1,0,1,0,0|1,0,0]=3 7601 B13R1.674 CC1CCCCC1C(=O)NCCF 240690a_100000724931_100011215568 [0,1,0,1,0,0|1,0,0]=3 7602 B13R1.674 CC1CCCCC1C(=O)NCCF 527a_100000724931_100011215568 [0,1,0,1,0,0|1,0,0]=3 7603 B13R1.674 CC1CCCCC1C(=O)NCCO 240690a_100000210304_100011215568 [0,1,0,1,0,0|1,0,0]=3 7604 B13R1.674 CC1CCCCC1C(=O)NCCO 527a_100000210304_100011215568 [0,1,0,1,0,0|1,0,0]=3 7605 B13R1.674 CC1CCCCN1C(=O)CCN[13CH3] 34a_100025749213_200025704644 [0,1,0,1,0,0|2,0,0]=4 7606 B13R1.674 CC1CCCCN1C(=O)NCCF 273464a_100000724931_100000211376 [0,1,0,1,0,0|2,0,0]=4 7607 B13R1.674 CC1CCCCN1C(=O)NCCO 273464a_100000210304_100000211376 [0,1,0,1,0,0|2,0,0]=4 7608 B13R1.674 CC=CCC(=O)C1CCCCC1C 1458a_100011215568_100000070051 [0,1,0,1,0,0|1,0,1]=4 7609 B13R1.674 CCC=CC(=O)N1CCCCC1C 11a_100000211376_100000212282 [0,1,0,1,0,0|2,0,0]=4 7610 B13R1.674 CCC=CC(=O)N1CCCCC1C 1626a_100000211376_100000212282 [0,1,0,1,0,0|2,0,0]=4 7611 B13R1.674 CCC=CC(=O)N1CCCCC1C 240690a_100000211376_100000212282 [0,1,0,1,0,0|2,0,0]=4 7612 B13R1.674 CCCCC(=O)C1CCCCC1C 1458a_100011215568_100000210211 [0,1,0,1,0,0|1,0,0]=3 7613 B13R1.674 CCCCC(=O)C1CCCCC1O 1458a_100011803323_100000210211 [0,1,0,1,0,0|2,0,0]=4 7614 B13R1.674 CCCCC(=O)N1CCCCC1C 11a_100000211376_100000210183 [0,1,0,1,0,0|2,0,0]=4 7615 B13R1.674 CCCCC(=O)N1CCCCC1C 1626a_100000211376_100000210183 [0,1,0,1,0,0|2,0,0]=4 7616 B13R1.674 CCCCC(=O)N1CCCCC1C 240690a_100000211376_100000210183 [0,1,0,1,0,0|2,0,0]=4 7617 B13R1.674 CCCCC(=O)N1CCCCC1C 527a_100000211376_100000210183 [0,1,0,1,0,0|2,0,0]=4 7618 B13R1.674 CCCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210211 [0,1,0,1,0,0|2,0,0]=4 7619 B13R1.674 CCCNC(=O)C1CCCCC1C 11a_100020643023_100011215568 [0,1,0,1,0,0|1,0,0]=3 7620 B13R1.674 CCCNC(=O)C1CCCCC1C 1626a_100020643023_100011215568 [0,1,0,1,0,0|1,0,0]=3 7621 B13R1.674 CCCNC(=O)C1CCCCC1C 240690a_100020643023_100011215568 [0,1,0,1,0,0|1,0,0]=3 7622 B13R1.674 CCCNC(=O)C1CCCCC1C 527a_100020643023_100011215568 [0,1,0,1,0,0|1,0,0]=3 7623 B13R1.674 CCCNC(=O)N1CCCCC1C 2708a_100020643023_100000211376 [0,1,0,1,0,0|2,0,0]=4 7624 B13R1.674 CCCNC(=O)N1CCCCC1C 273464a_100020643023_100000211376 [0,1,0,1,0,0|2,0,0]=4 7625 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C 11a_100020643023_100000767060 [0,1,0,1,0,0|2,0,0]=4 7626 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C 1626a_100020643023_100000767060 [0,1,0,1,0,0|2,0,0]=4 7627 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C 240690a_100020643023_100000767060 [0,1,0,1,0,0|2,0,0]=4 7628 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C 527a_100020643023_100000767060 [0,1,0,1,0,0|2,0,0]=4 7629 B13R1.674 CCNCC(=O)N1CCCCC1C 2230a_100015525214_100000182743 [0,1,0,1,0,0|2,0,0]=4 7630 B13R1.674 CCNNC(=O)C1CCCCC1C 22a_100000756455_100011215568 [0,1,0,1,0,0|1,0,0]=3 7631 B13R1.674 CCNNC(=O)C1CCCCC1O 22a_100000756455_100011803323 [0,1,0,1,0,0|2,0,0]=4 7632 B13R1.674 CCNNC(=O)[C@H]1CCCCN1C 22a_100000756455_100000767060 [0,1,0,1,0,0|2,0,0]=4 7633 B13R1.674 CCOCC(=O)C1CCCCC1=O 1458a_100000211967_100000204591 [0,1,0,1,0,0|1,0,1]=4 7634 B13R1.674 CCOCC(=O)N1CCCCC1C 11a_100000211376_100000211967 [0,1,0,1,0,0|1,0,0]=3 7635 B13R1.674 CCOCC(=O)N1CCCCC1C 1626a_100000211376_100000211967 [0,1,0,1,0,0|1,0,0]=3 7636 B13R1.674 CCOCC(=O)N1CCCCC1C 240690a_100000211376_100000211967 [0,1,0,1,0,0|1,0,0]=3 7637 B13R1.674 CCOCC(=O)N1CCCCC1C 34a_100121572206_100000182743 [0,1,0,1,0,0|1,0,0]=3 7638 B13R1.674 CCOCC(=O)N1CCCCC1C 527a_100000211376_100000211967 [0,1,0,1,0,0|1,0,0]=3 7639 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000211967 [0,1,0,1,0,0|2,0,0]=4 7640 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000211967 [0,1,0,1,0,0|2,0,0]=4 7641 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000211967 [0,1,0,1,0,0|2,0,0]=4 7642 B13R1.674 CCSCC(=O)N1CCCCC1C 11a_100000211376_100000230394 [0,1,0,1,0,0|1,1,0]=4 7643 B13R1.674 CCSCC(=O)N1CCCCC1C 1626a_100000211376_100000230394 [0,1,0,1,0,0|1,1,0]=4 7644 B13R1.674 CCSCC(=O)N1CCCCC1C 240690a_100000211376_100000230394 [0,1,0,1,0,0|1,1,0]=4 7645 B13R1.674 CCSCC(=O)N1CCCCC1C 527a_100000211376_100000230394 [0,1,0,1,0,0|1,1,0]=4 7646 B13R1.674 CCSCC(=O)N1CCCCC1C 62a_100000182743_100000210202 [0,1,0,1,0,0|1,1,0]=4 7647 B13R1.674 CCSCC(=O)N1CCCCC1C 62a_100000210202_100000182743 [0,1,0,1,0,0|1,1,0]=4 7648 B13R1.674 CN1CCCC[C@@H]1C(=O)CCCF 1458a_100000767060_100011934791 [0,1,0,1,0,0|2,0,0]=4 7649 B13R1.674 CN1CCCC[C@@H]1C(=O)CCCO 1458a_100000767060_100011215043 [0,1,0,1,0,0|2,0,0]=4 7650 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCF 11a_100000724931_100000767060 [0,1,0,1,0,0|2,0,0]=4 7651 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCF 1626a_100000724931_100000767060 [0,1,0,1,0,0|2,0,0]=4 7652 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCF 240690a_100000724931_100000767060 [0,1,0,1,0,0|2,0,0]=4 7653 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCF 527a_100000724931_100000767060 [0,1,0,1,0,0|2,0,0]=4 7654 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCO 240690a_100000210304_100000767060 [0,1,0,1,0,0|2,0,0]=4 7655 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCO 527a_100000210304_100000767060 [0,1,0,1,0,0|2,0,0]=4 7656 B13R1.674 CNCCC(=O)N1CCCCC1C 34a_100025749213_200000210301 [0,1,0,1,0,0|2,0,0]=4 7657 B13R1.674 COCCC(=O)C1CCCCC1C 1458a_100011215568_100000233755 [0,1,0,1,0,0|1,0,0]=3 7658 B13R1.674 COCCC(=O)C1CCCCC1O 1458a_100011803323_100000233755 [0,1,0,1,0,0|2,0,0]=4 7659 B13R1.674 COCCC(=O)N1CCCCC1C 11a_100000211376_100000749529 [0,1,0,1,0,0|2,0,0]=4 7660 B13R1.674 COCCC(=O)N1CCCCC1C 1626a_100000211376_100000749529 [0,1,0,1,0,0|2,0,0]=4 7661 B13R1.674 COCCC(=O)N1CCCCC1C 240690a_100000211376_100000749529 [0,1,0,1,0,0|2,0,0]=4 7662 B13R1.674 COCCC(=O)N1CCCCC1C 527a_100000211376_100000749529 [0,1,0,1,0,0|2,0,0]=4 7663 B13R1.674 COCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000233755 [0,1,0,1,0,0|2,0,0]=4 7664 B13R1.674 CSCCC(=O)C1CCCCC1C 1458a_100011215568_100000751147 [0,1,0,1,0,0|1,0,0]=3 7665 B13R1.674 CSCCC(=O)C1CCCCC1O 1458a_100011803323_100000751147 [0,1,0,1,0,0|2,0,0]=4 7666 B13R1.674 CSCCC(=O)N1CCCCC1C 11a_100000211376_100000174002 [0,1,0,1,0,0|2,0,0]=4 7667 B13R1.674 CSCCC(=O)N1CCCCC1C 1626a_100000211376_100000174002 [0,1,0,1,0,0|2,0,0]=4 7668 B13R1.674 CSCCC(=O)N1CCCCC1C 240690a_100000211376_100000174002 [0,1,0,1,0,0|2,0,0]=4 7669 B13R1.674 CSCCC(=O)N1CCCCC1C 527a_100000211376_100000174002 [0,1,0,1,0,0|2,0,0]=4 7670 B13R1.674 CSCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000751147 [0,1,0,1,0,0|2,0,0]=4 7671 B13R1.674 O=C(CCCF)C1CCCCC1O 1458a_100011803323_100011934791 [0,1,0,1,0,0|2,0,0]=4 7672 B13R1.674 O=C(CCCO)C1CCCCC1O 1458a_100011803323_100011215043 [0,1,0,1,0,0|2,0,0]=4 7673 B13R1.679 CCCCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210211 [0,1,0,1,0,0|2,0,0]=4 7674 B13R1.679 CCCNC(=O)C1CCN(C1)CC 11a_100020643023_100103286618 [0,1,0,1,0,0|2,0,0]=4 7675 B13R1.679 CCCNC(=O)C1CCN(C1)CC 240690a_100020643023_100103286618 [0,1,0,1,0,0|2,0,0]=4 7676 B13R1.679 CCN1CCC(C1)C(=O)CCCF 1458a_100103286618_100011934791 [0,1,0,1,0,0|2,0,0]=4 7677 B13R1.679 CCN1CCC(C1)C(=O)CCCO 1458a_100103286618_100011215043 [0,1,0,1,0,0|2,0,0]=4 7678 B13R1.679 CCN1CCC(C1)C(=O)CCOC 1458a_100103286618_100000233755 [0,1,0,1,0,0|2,0,0]=4 7679 B13R1.679 CCN1CCC(C1)C(=O)CCSC 1458a_100103286618_100000751147 [0,1,0,1,0,0|2,0,0]=4 7680 B13R1.679 CCN1CCC(C1)C(=O)NCCF 11a_100000724931_100103286618 [0,1,0,1,0,0|2,0,0]=4 7681 B13R1.679 CCN1CCC(C1)C(=O)NCCF 240690a_100000724931_100103286618 [0,1,0,1,0,0|2,0,0]=4 7682 B13R1.679 CCN1CCC(C1)C(=O)NCCO 240690a_100000210304_100103286618 [0,1,0,1,0,0|2,0,0]=4 7683 B13R1.679 CCNNC(=O)C1CCN(C1)CC 22a_100000756455_100103286618 [0,1,0,1,0,0|2,0,0]=4 7684 B13R1.679 CCOCC(=O)N1CCC(C1)CO 240690a_100000748654_100000211967 [0,1,0,1,0,0|2,0,0]=4 7685 B13R1.679 CCOCC(=O)N1CCC(C1)CO 527a_100000748654_100000211967 [0,1,0,1,0,0|2,0,0]=4 7686 B13R1.679 CCOCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000211967 [0,1,0,1,0,0|2,0,0]=4 7687 B13R1.679 CCOCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000211967 [0,1,0,1,0,0|2,0,0]=4 7688 B13R1.679 CCOCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000211967 [0,1,0,1,0,0|2,0,0]=4 7689 B13R1.679 CCOCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000211967 [0,1,0,1,0,0|2,0,0]=4 7690 B13R1.682 CCOCC(=O)N1CCC1COC 11a_100015195929_100000211967 [0,1,0,1,0,0|2,0,0]=4 7691 B13R1.682 CCOCC(=O)N1CCC1COC 1626a_100015195929_100000211967 [0,1,0,1,0,0|2,0,0]=4 7692 B13R1.682 CCOCC(=O)N1CCC1COC 240690a_100015195929_100000211967 [0,1,0,1,0,0|2,0,0]=4 7693 B13R1.682 CCOCC(=O)N1CCC1COC 527a_100015195929_100000211967 [0,1,0,1,0,0|2,0,0]=4 7694 B13R1.2488 C#CCCC(=O)C1CCCCCC1 1458a_100000692101_100011217769 [0,1,0,1,0,0|1,0,1]=4 7695 B13R1.2488 C#CCCC(=O)C1CCCCCC1 1458a_100000749507_100000753159 [0,1,0,1,0,0|1,0,1]=4 7696 B13R1.2488 C#CCNC(=O)C1CCCCCC1 11a_100000212058_100000749507 [0,1,0,1,0,0|1,0,1]=4 7697 B13R1.2488 C#CCNC(=O)C1CCCCCC1 1626a_100000212058_100000749507 [0,1,0,1,0,0|1,0,1]=4 7698 B13R1.2488 C#CCNC(=O)C1CCCCCC1 240690a_100000212058_100000749507 [0,1,0,1,0,0|1,0,1]=4 7699 B13R1.2488 C#CCNC(=O)C1CCCCCC1 527a_100000212058_100000749507 [0,1,0,1,0,0|1,0,1]=4 7700 B13R1.2488 C/C=C/CC(=O)C1CCCCCC1 1458a_100000749507_100102629194 [0,1,0,1,0,0|1,0,1]=4 7701 B13R1.2488 C=CCCC(=O)C1CCCCCC1 1458a_100000749507_100000754431 [0,1,0,1,0,0|1,0,1]=4 7702 B13R1.2488 C=CCCC(=O)C1CCCCCC1 1458a_100000749702_100011217769 [0,1,0,1,0,0|1,0,1]=4 7703 B13R1.2488 C=CCNC(=O)C1CCCCCC1 1626a_100020586998_100000749507 [0,1,0,1,0,0|1,0,1]=4 7704 B13R1.2488 C=CCNC(=O)C1CCCCCC1 240690a_100020586998_100000749507 [0,1,0,1,0,0|1,0,1]=4 7705 B13R1.2488 C=CCNC(=O)C1CCCCCC1 527a_100020586998_100000749507 [0,1,0,1,0,0|1,0,1]=4 7706 B13R1.2488 CC#CCC(=O)C1CCCCCC1 1458a_100000749507_100000748600 [0,1,0,1,0,0|1,0,1]=4 7707 B13R1.2488 CC=CCC(=O)C1CCCCCC1 1458a_100000749507_100000070051 [0,1,0,1,0,0|1,0,1]=4 7708 B13R1.2488 CC=CCC(=O)C1CCCCCC1 1458a_100121576822_100011217769 [0,1,0,1,0,0|1,0,1]=4 7709 B13R1.2488 CCC#CC(=O)C1CCCCCC1 1458a_100011827653_100011217769 [0,1,0,1,0,0|1,0,0]=3 7710 B13R1.2488 CCC=CC(=O)C1CCCCCC1 1458a_100000212282_100011217769 [0,1,0,1,0,0|1,0,0]=3 7711 B13R1.2488 CCC=CC(=O)N1CCCCCC1 11a_100000185865_100000212282 [0,1,0,1,0,0|2,0,0]=4 7712 B13R1.2488 CCC=CC(=O)N1CCCCCC1 1626a_100000185865_100000212282 [0,1,0,1,0,0|2,0,0]=4 7713 B13R1.2488 CCC=CC(=O)N1CCCCCC1 240690a_100000185865_100000212282 [0,1,0,1,0,0|2,0,0]=4 7714 B13R1.2488 CCCCC(=O)C1CCCCCC1 1458a_100000210183_100011217769 [0,1,0,1,0,0|1,0,0]=3 7715 B13R1.2488 CCCCC(=O)C1CCCCCC1 1458a_100000749507_100000210211 [0,1,0,1,0,0|1,0,0]=3 7716 B13R1.2488 CCCCC(=O)N1CCCCCC1 11a_100000185865_100000210183 [0,1,0,1,0,0|2,0,0]=4 7717 B13R1.2488 CCCCC(=O)N1CCCCCC1 1626a_100000185865_100000210183 [0,1,0,1,0,0|2,0,0]=4 7718 B13R1.2488 CCCCC(=O)N1CCCCCC1 240690a_100000185865_100000210183 [0,1,0,1,0,0|2,0,0]=4 7719 B13R1.2488 CCCCC(=O)N1CCCCCC1 527a_100000185865_100000210183 [0,1,0,1,0,0|2,0,0]=4 7720 B13R1.2488 CCCNC(=O)C1CCCCCC1 11a_100020643023_100000749507 [0,1,0,1,0,0|1,0,0]=3 7721 B13R1.2488 CCCNC(=O)C1CCCCCC1 1626a_100020643023_100000749507 [0,1,0,1,0,0|1,0,0]=3 7722 B13R1.2488 CCCNC(=O)C1CCCCCC1 240690a_100020643023_100000749507 [0,1,0,1,0,0|1,0,0]=3 7723 B13R1.2488 CCCNC(=O)C1CCCCCC1 527a_100020643023_100000749507 [0,1,0,1,0,0|1,0,0]=3 7724 B13R1.2488 CCCNC(=O)N1CCCCCC1 2708a_100020643023_100000185865 [0,1,0,1,0,0|2,0,0]=4 7725 B13R1.2488 CCCNC(=O)N1CCCCCC1 273464a_100020643023_100000185865 [0,1,0,1,0,0|2,0,0]=4 7726 B13R1.2488 CCNCC(=O)N1CCCCCC1 2230a_100015525214_100000182869 [0,1,0,1,0,0|2,0,0]=4 7727 B13R1.2488 CCNNC(=O)C1CCCCCC1 22a_100000756455_100000749507 [0,1,0,1,0,0|1,0,0]=3 7728 B13R1.2488 CCOCC(=O)C1CCCCCC1 1458a_100000211967_100011217769 [0,1,0,1,0,0|0,0,0]=2 7729 B13R1.2488 CCOCC(=O)N1CCCCCC1 11a_100000185865_100000211967 [0,1,0,1,0,0|1,0,0]=3 7730 B13R1.2488 CCOCC(=O)N1CCCCCC1 1626a_100000185865_100000211967 [0,1,0,1,0,0|1,0,0]=3 7731 B13R1.2488 CCOCC(=O)N1CCCCCC1 240690a_100000185865_100000211967 [0,1,0,1,0,0|1,0,0]=3 7732 B13R1.2488 CCOCC(=O)N1CCCCCC1 34a_100121572206_100000182869 [0,1,0,1,0,0|1,0,0]=3 7733 B13R1.2488 CCOCC(=O)N1CCCCCC1 527a_100000185865_100000211967 [0,1,0,1,0,0|1,0,0]=3 7734 B13R1.2488 CCOCC(=O)N1CCCOCC1 11a_100000685342_100000211967 [0,1,0,1,0,0|2,0,0]=4 7735 B13R1.2488 CCOCC(=O)N1CCCOCC1 1626a_100000685342_100000211967 [0,1,0,1,0,0|2,0,0]=4 7736 B13R1.2488 CCOCC(=O)N1CCCOCC1 240690a_100000685342_100000211967 [0,1,0,1,0,0|2,0,0]=4 7737 B13R1.2488 CCOCC(=O)N1CCCOCC1 527a_100000685342_100000211967 [0,1,0,1,0,0|2,0,0]=4 7738 B13R1.2488 CCOCN(C)C1CCCCCC1 269982a_100015185097_100000739092 [0,1,0,1,0,0|2,0,0]=4 7739 B13R1.2488 CCSCC(=O)C1CCCCCC1 1458a_100000230394_100011217769 [0,1,0,1,0,0|0,1,0]=3 7740 B13R1.2488 CCSCC(=O)N1CCCCCC1 11a_100000185865_100000230394 [0,1,0,1,0,0|1,1,0]=4 7741 B13R1.2488 CCSCC(=O)N1CCCCCC1 1626a_100000185865_100000230394 [0,1,0,1,0,0|1,1,0]=4 7742 B13R1.2488 CCSCC(=O)N1CCCCCC1 240690a_100000185865_100000230394 [0,1,0,1,0,0|1,1,0]=4 7743 B13R1.2488 CCSCC(=O)N1CCCCCC1 527a_100000185865_100000230394 [0,1,0,1,0,0|1,1,0]=4 7744 B13R1.2488 CCSCC(=O)N1CCCCCC1 62a_100000182869_100000210202 [0,1,0,1,0,0|1,1,0]=4 7745 B13R1.2488 CCSCC(=O)N1CCCCCC1 62a_100000210202_100000182869 [0,1,0,1,0,0|1,1,0]=4 7746 B13R1.2488 COC=CC(=O)C1CCCCCC1 1458a_100016268678_100011217769 [0,1,0,1,0,0|1,0,1]=4 7747 B13R1.2488 COCCC(=O)C1CCCCCC1 1458a_100000749507_100000233755 [0,1,0,1,0,0|1,0,0]=3 7748 B13R1.2488 COCCC(=O)C1CCCCCC1 1458a_100000749529_100011217769 [0,1,0,1,0,0|1,0,0]=3 7749 B13R1.2488 COCCC(=O)N1CCCCCC1 11a_100000185865_100000749529 [0,1,0,1,0,0|2,0,0]=4 7750 B13R1.2488 COCCC(=O)N1CCCCCC1 1626a_100000185865_100000749529 [0,1,0,1,0,0|2,0,0]=4 7751 B13R1.2488 COCCC(=O)N1CCCCCC1 240690a_100000185865_100000749529 [0,1,0,1,0,0|2,0,0]=4 7752 B13R1.2488 COCCC(=O)N1CCCCCC1 527a_100000185865_100000749529 [0,1,0,1,0,0|2,0,0]=4 7753 B13R1.2488 CSCCC(=O)C1CCCCCC1 1458a_100000174002_100011217769 [0,1,0,1,0,0|1,0,0]=3 7754 B13R1.2488 CSCCC(=O)C1CCCCCC1 1458a_100000749507_100000751147 [0,1,0,1,0,0|1,0,0]=3 7755 B13R1.2488 CSCCC(=O)N1CCCCCC1 11a_100000185865_100000174002 [0,1,0,1,0,0|2,0,0]=4 7756 B13R1.2488 CSCCC(=O)N1CCCCCC1 1626a_100000185865_100000174002 [0,1,0,1,0,0|2,0,0]=4 7757 B13R1.2488 CSCCC(=O)N1CCCCCC1 240690a_100000185865_100000174002 [0,1,0,1,0,0|2,0,0]=4 7758 B13R1.2488 CSCCC(=O)N1CCCCCC1 527a_100000185865_100000174002 [0,1,0,1,0,0|2,0,0]=4 7759 B13R1.2488 N#CCCC(=O)C1CCCCCC1 1458a_100000749507_100011215226 [0,1,0,1,0,0|1,0,1]=4 7760 B13R1.2488 N#CCCC(=O)C1CCCCCC1 1458a_100011934036_100011217769 [0,1,0,1,0,0|1,0,1]=4 7761 B13R1.2488 N#CCNC(=O)C1CCCCCC1 1626a_100000734998_100000749507 [0,1,0,1,0,0|1,0,1]=4 7762 B13R1.2488 N#CCNC(=O)C1CCCCCC1 527a_100000734998_100000749507 [0,1,0,1,0,0|1,0,1]=4 7763 B13R1.2488 O=C(C#CCO)C1CCCCCC1 1458a_100000049017_100011217769 [0,1,0,1,0,0|1,0,1]=4 7764 B13R1.2488 O=C(CCCF)C1CCCCCC1 1458a_100000749507_100011934791 [0,1,0,1,0,0|1,0,0]=3 7765 B13R1.2488 O=C(CCCO)C1CCCCCC1 1458a_100000749507_100011215043 [0,1,0,1,0,0|1,0,0]=3 7766 B13R1.2488 O=C(NCCF)C1CCCCCC1 11a_100000724931_100000749507 [0,1,0,1,0,0|1,0,0]=3 7767 B13R1.2488 O=C(NCCF)C1CCCCCC1 1626a_100000724931_100000749507 [0,1,0,1,0,0|1,0,0]=3 7768 B13R1.2488 O=C(NCCF)C1CCCCCC1 240690a_100000724931_100000749507 [0,1,0,1,0,0|1,0,0]=3 7769 B13R1.2488 O=C(NCCF)C1CCCCCC1 527a_100000724931_100000749507 [0,1,0,1,0,0|1,0,0]=3 7770 B13R1.2488 O=C(NCCF)N1CCCCCC1 273464a_100000724931_100000185865 [0,1,0,1,0,0|2,0,0]=4 7771 B13R1.2488 O=C(NCCO)C1CCCCCC1 240690a_100000210304_100000749507 [0,1,0,1,0,0|1,0,0]=3 7772 B13R1.2488 O=C(NCCO)C1CCCCCC1 527a_100000210304_100000749507 [0,1,0,1,0,0|1,0,0]=3 7773 B13R1.2488 O=C(NCCO)N1CCCCCC1 273464a_100000210304_100000185865 [0,1,0,1,0,0|2,0,0]=4 7774 B13R1.2500 CCC=CC(=O)N(CC)C1CCC1 11a_100000758130_100000212282 [0,1,0,1,0,0|2,0,0]=4 7775 B13R1.2500 CCC=CC(=O)N(CC)C1CCC1 1626a_100000758130_100000212282 [0,1,0,1,0,0|2,0,0]=4 7776 B13R1.2500 CCC=CC(=O)N(CC)C1CCC1 240690a_100000758130_100000212282 [0,1,0,1,0,0|2,0,0]=4 7777 B13R1.2500 CCCCC(=O)N(CC)C1CCC1 11a_100000758130_100000210183 [0,1,0,1,0,0|2,0,0]=4 7778 B13R1.2500 CCCCC(=O)N(CC)C1CCC1 1626a_100000758130_100000210183 [0,1,0,1,0,0|2,0,0]=4 7779 B13R1.2500 CCCCC(=O)N(CC)C1CCC1 240690a_100000758130_100000210183 [0,1,0,1,0,0|2,0,0]=4 7780 B13R1.2500 CCCCC(=O)N(CC)C1CCC1 527a_100000758130_100000210183 [0,1,0,1,0,0|2,0,0]=4 7781 B13R1.2500 CCCNC(=O)C(CC)N1CCC1 269982a_100000754969_200011763335 [0,1,0,1,0,0|2,0,0]=4 7782 B13R1.2500 CCCNC(=O)N(CC)C1CCC1 2708a_100020643023_100000758130 [0,1,0,1,0,0|2,0,0]=4 7783 B13R1.2500 CCCNC(=O)N(CC)C1CCC1 273464a_100020643023_100000758130 [0,1,0,1,0,0|2,0,0]=4 7784 B13R1.2500 CCN(C(=O)CCOC)C1CCC1 11a_100000758130_100000749529 [0,1,0,1,0,0|2,0,0]=4 7785 B13R1.2500 CCN(C(=O)CCOC)C1CCC1 1626a_100000758130_100000749529 [0,1,0,1,0,0|2,0,0]=4 7786 B13R1.2500 CCN(C(=O)CCOC)C1CCC1 240690a_100000758130_100000749529 [0,1,0,1,0,0|2,0,0]=4 7787 B13R1.2500 CCN(C(=O)CCOC)C1CCC1 527a_100000758130_100000749529 [0,1,0,1,0,0|2,0,0]=4 7788 B13R1.2500 CCN(C(=O)CCSC)C1CCC1 11a_100000758130_100000174002 [0,1,0,1,0,0|2,0,0]=4 7789 B13R1.2500 CCN(C(=O)CCSC)C1CCC1 1626a_100000758130_100000174002 [0,1,0,1,0,0|2,0,0]=4 7790 B13R1.2500 CCN(C(=O)CCSC)C1CCC1 240690a_100000758130_100000174002 [0,1,0,1,0,0|2,0,0]=4 7791 B13R1.2500 CCN(C(=O)CCSC)C1CCC1 527a_100000758130_100000174002 [0,1,0,1,0,0|2,0,0]=4 7792 B13R1.2500 CCN(C(=O)NCCF)C1CCC1 273464a_100000724931_100000758130 [0,1,0,1,0,0|2,0,0]=4 7793 B13R1.2500 CCN(C(=O)NCCO)C1CCC1 273464a_100000210304_100000758130 [0,1,0,1,0,0|2,0,0]=4 7794 B13R1.2500 CCOCC(=O)N(CC)C1CCC1 11a_100000758130_100000211967 [0,1,0,1,0,0|1,0,0]=3 7795 B13R1.2500 CCOCC(=O)N(CC)C1CCC1 1626a_100000758130_100000211967 [0,1,0,1,0,0|1,0,0]=3 7796 B13R1.2500 CCOCC(=O)N(CC)C1CCC1 240690a_100000758130_100000211967 [0,1,0,1,0,0|1,0,0]=3 7797 B13R1.2500 CCOCC(=O)N(CC)C1CCC1 527a_100000758130_100000211967 [0,1,0,1,0,0|1,0,0]=3 7798 B13R1.2500 CCOCC(=O)N(CC)C1COC1 11a_200015199590_100000211967 [0,1,0,1,0,0|2,0,0]=4 7799 B13R1.2500 CCOCC(=O)N(CC)C1COC1 1626a_200015199590_100000211967 [0,1,0,1,0,0|2,0,0]=4 7800 B13R1.2500 CCSCC(=O)N(CC)C1CCC1 11a_100000758130_100000230394 [0,1,0,1,0,0|1,1,0]=4 7801 B13R1.2500 CCSCC(=O)N(CC)C1CCC1 1626a_100000758130_100000230394 [0,1,0,1,0,0|1,1,0]=4 7802 B13R1.2500 CCSCC(=O)N(CC)C1CCC1 240690a_100000758130_100000230394 [0,1,0,1,0,0|1,1,0]=4 7803 B13R1.2500 CCSCC(=O)N(CC)C1CCC1 527a_100000758130_100000230394 [0,1,0,1,0,0|1,1,0]=4 7804 B13R1.2502 CCCNC(=O)C(CC)SC1CC1 62a_200011763335_100000211595 [0,1,0,1,0,0|2,0,0]=4 7805 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [0,1,0,1,0,0|1,0,0]=3 7806 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000102301_100000735217 [0,1,0,1,0,0|1,0,0]=3 7807 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000698827_100000210211 [0,1,0,1,0,0|1,0,0]=3 7808 B13R1.34 CCCCNC1CCCCNC1=O 34a_100000698827_100000210210 [0,1,0,1,0,0|1,0,0]=3 7809 B13R1.34 CCCCNC1CCCCNC1=O 7a_106832991798_100000735217 [0,1,0,1,0,0|1,0,0]=3 7810 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [0,1,0,1,0,0|1,0,0]=3 7811 B13R1.34 CCCCOC1CCCCNC1=O 7a_100000210227_100000735217 [0,1,0,1,0,0|1,0,0]=3 7812 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [0,1,0,1,0,0|1,0,0]=3 7813 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [0,1,0,1,0,0|1,0,0]=3 7814 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000210211_100000735217 [0,1,0,1,0,0|1,0,0]=3 7815 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000735217_100000210210 [0,1,0,1,0,0|1,0,0]=3 7816 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000243696_100000739092 [0,1,0,1,0,0|2,0,0]=4 7817 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000739092_100000243696 [0,1,0,1,0,0|2,0,0]=4 7818 B13R1.34 CCOCSC1CCCCNC1=O 62a_100000735217_100000739092 [0,1,0,1,0,0|2,0,0]=4 7819 B13R1.34 CCOCSC1CCCCNC1=O 62a_100000739092_100000735217 [0,1,0,1,0,0|2,0,0]=4 7820 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [0,1,0,1,0,0|2,0,0]=4 7821 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [0,1,0,1,0,0|2,0,0]=4 7822 B13R1.34 COCCNC1CCCCNC1=O 2230a_100000209980_100000735217 [0,1,0,1,0,0|2,0,0]=4 7823 B13R1.34 COCCNC1CCCCNC1=O 2230a_100000698827_100011201679 [0,1,0,1,0,0|2,0,0]=4 7824 B13R1.34 COCCNC1CCCCNC1=O 34a_100000698827_100011201679 [0,1,0,1,0,0|2,0,0]=4 7825 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [0,1,0,1,0,0|2,0,0]=4 7826 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [0,1,0,1,0,0|2,0,0]=4 7827 B13R1.34 COCCSC1CCCCNC1=O 62a_100000233755_100000735217 [0,1,0,1,0,0|2,0,0]=4 7828 B13R1.34 COCCSC1CCCCNC1=O 62a_100000735217_100000233755 [0,1,0,1,0,0|2,0,0]=4 7829 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100000698827_100000751147 [0,1,0,1,0,0|2,0,0]=4 7830 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100020590264_100000735217 [0,1,0,1,0,0|2,0,0]=4 7831 B13R1.34 CSCCNC1CCCCNC1=O 34a_100000698827_100000212216 [0,1,0,1,0,0|2,0,0]=4 7832 B13R1.34 CSCCOC1CCCCCC1=O 7a_100000230434_100000243696 [0,1,0,1,0,0|2,0,0]=4 7833 B13R1.34 CSCCOC1CCCCNC1=O 7a_100000230434_100000735217 [0,1,0,1,0,0|2,0,0]=4 7834 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000212216_100000243696 [0,1,0,1,0,0|2,0,0]=4 7835 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000243696_100000751147 [0,1,0,1,0,0|2,0,0]=4 7836 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000212216_100000735217 [0,1,0,1,0,0|2,0,0]=4 7837 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000735217_100000751147 [0,1,0,1,0,0|2,0,0]=4 7838 B13R1.34 O=C1CCCCCC1SCCCF 62a_100000243696_100011934791 [0,1,0,1,0,0|2,0,0]=4 7839 B13R1.34 O=C1CCCCCC1SCCCF 62a_100011934791_100000243696 [0,1,0,1,0,0|2,0,0]=4 7840 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [0,1,0,1,0,0|2,0,0]=4 7841 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [0,1,0,1,0,0|2,0,0]=4 7842 B13R1.34 O=C1NCCCCC1NCCCF 2230a_100000698827_100011934791 [0,1,0,1,0,0|2,0,0]=4 7843 B13R1.34 O=C1NCCCCC1NCCCF 2230a_100015189416_100000735217 [0,1,0,1,0,0|2,0,0]=4 7844 B13R1.34 O=C1NCCCCC1NCCCF 34a_100000698827_100011934791 [0,1,0,1,0,0|2,0,0]=4 7845 B13R1.34 O=C1NCCCCC1NCCCO 2230a_100000698827_100000230001 [0,1,0,1,0,0|2,0,0]=4 7846 B13R1.34 O=C1NCCCCC1NCCCO 34a_100000698827_100000230001 [0,1,0,1,0,0|2,0,0]=4 7847 B13R1.34 O=C1NCCCCC1SCCCF 62a_100000735217_100011934791 [0,1,0,1,0,0|2,0,0]=4 7848 B13R1.34 O=C1NCCCCC1SCCCF 62a_100011934791_100000735217 [0,1,0,1,0,0|2,0,0]=4 7849 B13R1.34 O=C1NCCCCC1SCCCO 62a_100000735217_100011215043 [0,1,0,1,0,0|2,0,0]=4 7850 B13R1.34 O=C1NCCCCC1SCCCO 62a_100011215043_100000735217 [0,1,0,1,0,0|2,0,0]=4 7851 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [0,1,0,1,0,0|2,0,0]=4 7852 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [0,1,0,1,0,0|2,0,0]=4 7853 B13R1.361 C#CCN1CCC(C1)C(=O)OCC 2230a_100016987290_100000038162 [0,1,0,1,0,0|0,0,2]=4 7854 B13R1.361 C=CCN1CCC(C1)C(=O)OCC 2230a_100016987290_100000210623 [0,1,0,1,0,0|0,0,2]=4 7855 B13R1.361 C=CCN1CCC(C1)C(=O)OCC 269982a_100016987290_100000210623 [0,1,0,1,0,0|0,0,2]=4 7856 B13R1.361 CCCC(=O)N1CCC(C1)CCO 240690a_100016987287_100000211992 [0,1,0,1,0,0|2,0,0]=4 7857 B13R1.361 CCCC(=O)N1CCC(C1)CCO 527a_100016987287_100000211992 [0,1,0,1,0,0|2,0,0]=4 7858 B13R1.361 CCCC(=O)N1CCC(C1)COC 11a_100025706693_100000211992 [0,1,0,1,0,0|2,0,0]=4 7859 B13R1.361 CCCC(=O)N1CCC(C1)COC 1626a_100025706693_100000211992 [0,1,0,1,0,0|2,0,0]=4 7860 B13R1.361 CCCC(=O)N1CCC(C1)COC 240690a_100025706693_100000211992 [0,1,0,1,0,0|2,0,0]=4 7861 B13R1.361 CCCC(=O)N1CCC(C1)COC 527a_100025706693_100000211992 [0,1,0,1,0,0|2,0,0]=4 7862 B13R1.361 CCCC(=O)N1CC[C@@H](C1)OCC 11a_100011787710_100000211992 [0,1,0,1,0,0|2,0,0]=4 7863 B13R1.361 CCCC(=O)N1CC[C@@H](C1)OCC 1626a_100011787710_100000211992 [0,1,0,1,0,0|2,0,0]=4 7864 B13R1.361 CCCC(=O)N1CC[C@@H](C1)OCC 240690a_100011787710_100000211992 [0,1,0,1,0,0|2,0,0]=4 7865 B13R1.361 CCCC(=O)N1CC[C@@H](C1)OCC 527a_100011787710_100000211992 [0,1,0,1,0,0|2,0,0]=4 7866 B13R1.361 CCCN1CCC(C1)C(=O)OCC 2230a_100016987290_100000210303 [0,1,0,1,0,0|0,0,0]=2 7867 B13R1.361 CCCN1CCC(C1)C(=O)OCC 269982a_100016987290_100000210303 [0,1,0,1,0,0|0,0,0]=2 7868 B13R1.361 CCNC(=O)N1CCC(C1)CCO 2708a_100015525214_100016987287 [0,1,0,1,0,0|2,0,0]=4 7869 B13R1.361 CCNC(=O)N1CCC(C1)CCO 273464a_100015525214_100016987287 [0,1,0,1,0,0|2,0,0]=4 7870 B13R1.361 CCNC(=O)N1CCC(C1)COC 2708a_100015525214_100025706693 [0,1,0,1,0,0|2,0,0]=4 7871 B13R1.361 CCNC(=O)N1CCC(C1)COC 273464a_100015525214_100025706693 [0,1,0,1,0,0|2,0,0]=4 7872 B13R1.361 CCNC(=O)N1CC[C@@H](C1)OCC 2708a_100015525214_100011787710 [0,1,0,1,0,0|2,0,0]=4 7873 B13R1.361 CCNC(=O)N1CC[C@@H](C1)OCC 273464a_100015525214_100011787710 [0,1,0,1,0,0|2,0,0]=4 7874 B13R1.361 CCNC1CCC(C1)C(=O)OCC 270004a_100015525214_100000077466 [0,1,0,1,0,0|0,0,0]=2 7875 B13R1.361 CCOC(=O)C1CCN(C1)CC#N 2230a_100016987290_100011215382 [0,1,0,1,0,0|1,0,1]=4 7876 B13R1.361 CCOC(=O)C1CCN(C1)CC#N 269982a_100016987290_100011214920 [0,1,0,1,0,0|1,0,1]=4 7877 B13R1.361 CCOC(=O)C1CCN(C1)CC=O 2230a_100016987290_200015260668 [0,1,0,1,0,0|1,0,1]=4 7878 B13R1.361 CCOC(=O)C1CCN(C1)CC=O 269982a_100016987290_200015260668 [0,1,0,1,0,0|1,0,1]=4 7879 B13R1.361 CCOC(=O)C1CCN(C1)CCF 2230a_100016987290_100011217306 [0,1,0,1,0,0|1,0,0]=3 7880 B13R1.361 CCOC(=O)C1CCN(C1)CCF 269982a_100016987290_100011217306 [0,1,0,1,0,0|1,0,0]=3 7881 B13R1.361 CCOC(=O)C1CCN(C1)CCO 2230a_100016987290_100000211926 [0,1,0,1,0,0|1,0,0]=3 7882 B13R1.361 CCOC(=O)C1CCN(C1)CCO 269982a_100016987290_100000211926 [0,1,0,1,0,0|1,0,0]=3 7883 B13R1.361 CCOC(=O)C1CCN(C1)COC 2230a_100016987290_100000766300 [0,1,0,1,0,0|1,0,0]=3 7884 B13R1.361 CCOC(=O)C1CCN(C1)COC 269982a_100016987290_100000766300 [0,1,0,1,0,0|1,0,0]=3 7885 B13R1.361 CCOC(=O)C1CCN(C1)CSC 2230a_100016987290_100011218213 [0,1,0,1,0,0|1,0,0]=3 7886 B13R1.361 CCOC(=O)C1CCN(C1)CSC 269982a_100016987290_100011218213 [0,1,0,1,0,0|1,0,0]=3 7887 B13R1.452 CCCC(=O)C1CCC(CC1)CO 1458a_100011217856_100000210303 [0,1,0,1,0,0|1,0,0]=3 7888 B13R1.452 CCCC(=O)C1CCC(CC1)OC 1458a_100011215563_100000210303 [0,1,0,1,0,0|1,0,0]=3 7889 B13R1.452 CCCC(=O)C1CCN(CC1)CC 1458a_100015186486_100000210303 [0,1,0,1,0,0|1,0,0]=3 7890 B13R1.452 CCCC(=O)N1CCC(CC1)CC 11a_100000754474_100000211992 [0,1,0,1,0,0|2,0,0]=4 7891 B13R1.452 CCCC(=O)N1CCC(CC1)CC 1626a_100000754474_100000211992 [0,1,0,1,0,0|2,0,0]=4 7892 B13R1.452 CCCC(=O)N1CCC(CC1)CC 240690a_100000754474_100000211992 [0,1,0,1,0,0|2,0,0]=4 7893 B13R1.452 CCCC(=O)N1CCC(CC1)CC 527a_100000754474_100000211992 [0,1,0,1,0,0|2,0,0]=4 7894 B13R1.452 CCCC(=O)N1CCC(CC1)CF 11a_100015203933_100000211992 [0,1,0,1,0,0|2,0,0]=4 7895 B13R1.452 CCCC(=O)N1CCC(CC1)CF 1626a_100015203933_100000211992 [0,1,0,1,0,0|2,0,0]=4 7896 B13R1.452 CCCC(=O)N1CCC(CC1)CF 240690a_100015203933_100000211992 [0,1,0,1,0,0|2,0,0]=4 7897 B13R1.452 CCCC(=O)N1CCC(CC1)CF 527a_100015203933_100000211992 [0,1,0,1,0,0|2,0,0]=4 7898 B13R1.452 CCCC(=O)N1CCC(CC1)CO 240690a_100000738675_100000211992 [0,1,0,1,0,0|2,0,0]=4 7899 B13R1.452 CCCC(=O)N1CCC(CC1)CO 527a_100000738675_100000211992 [0,1,0,1,0,0|2,0,0]=4 7900 B13R1.452 CCCC(=O)N1CCC(CC1)NC 270004a_106832991635_100000162424 [0,1,0,1,0,0|2,0,0]=4 7901 B13R1.452 CCCC(=O)N1CCC(CC1)OC 11a_100000234800_100000211992 [0,1,0,1,0,0|2,0,0]=4 7902 B13R1.452 CCCC(=O)N1CCC(CC1)OC 1626a_100000234800_100000211992 [0,1,0,1,0,0|2,0,0]=4 7903 B13R1.452 CCCC(=O)N1CCC(CC1)OC 240690a_100000234800_100000211992 [0,1,0,1,0,0|2,0,0]=4 7904 B13R1.452 CCCC(=O)N1CCC(CC1)OC 527a_100000234800_100000211992 [0,1,0,1,0,0|2,0,0]=4 7905 B13R1.452 CCCC(=O)N1CCC(CC1)SC 11a_100015202541_100000211992 [0,1,0,1,0,0|2,0,0]=4 7906 B13R1.452 CCCC(=O)N1CCC(CC1)SC 1626a_100015202541_100000211992 [0,1,0,1,0,0|2,0,0]=4 7907 B13R1.452 CCCC(=O)N1CCC(CC1)SC 240690a_100015202541_100000211992 [0,1,0,1,0,0|2,0,0]=4 7908 B13R1.452 CCCC(=O)N1CCC(CC1)SC 527a_100015202541_100000211992 [0,1,0,1,0,0|2,0,0]=4 7909 B13R1.452 CCCC(=O)N1CCN(CC1)CC 11a_100000210033_100000211992 [0,1,0,1,0,0|2,0,0]=4 7910 B13R1.452 CCCC(=O)N1CCN(CC1)CC 2230a_102495365011_100000210202 [0,1,0,1,0,0|2,0,0]=4 7911 B13R1.452 CCCC(=O)N1CCN(CC1)CC 240690a_100000210033_100000211992 [0,1,0,1,0,0|2,0,0]=4 7912 B13R1.452 CCCC(=O)N1CCN(CC1)CC 269982a_102495365011_100000204670 [0,1,0,1,0,0|2,0,0]=4 7913 B13R1.452 CCCC(=O)N1CCN(CC1)CC 527a_100000210033_100000211992 [0,1,0,1,0,0|2,0,0]=4 7914 B13R1.452 CCCC(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_100000210303 [0,1,0,1,0,0|1,0,1]=4 7915 B13R1.452 CCCC(=O)[C@H]1CC[C@@H](CC1)CC 1458a_100000709782_100000210303 [0,1,0,1,0,0|1,0,0]=3 7916 B13R1.452 CCN1CCC(CC1)C(=O)CCF 1458a_100015186486_100011217306 [0,1,0,1,0,0|2,0,0]=4 7917 B13R1.452 CCN1CCC(CC1)C(=O)CCO 1458a_100015186486_100000211926 [0,1,0,1,0,0|2,0,0]=4 7918 B13R1.452 CCN1CCC(CC1)C(=O)NNC 22a_100016993582_100015186486 [0,1,0,1,0,0|2,0,0]=4 7919 B13R1.452 CCNC(=O)C1CCC(CC1)CO 240690a_100015525214_100011217856 [0,1,0,1,0,0|1,0,0]=3 7920 B13R1.452 CCNC(=O)C1CCC(CC1)OC 11a_100015525214_100011215563 [0,1,0,1,0,0|1,0,0]=3 7921 B13R1.452 CCNC(=O)C1CCC(CC1)OC 240690a_100015525214_100011215563 [0,1,0,1,0,0|1,0,0]=3 7922 B13R1.452 CCNC(=O)C1CCC(CC1)OC 527a_100015525214_100011215563 [0,1,0,1,0,0|1,0,0]=3 7923 B13R1.452 CCNC(=O)C1CCN(CC1)CC 11a_100015525214_100015186486 [0,1,0,1,0,0|1,0,0]=3 7924 B13R1.452 CCNC(=O)C1CCN(CC1)CC 240690a_100015525214_100015186486 [0,1,0,1,0,0|1,0,0]=3 7925 B13R1.452 CCNC(=O)C1CCN(CC1)CC 527a_100015525214_100015186486 [0,1,0,1,0,0|1,0,0]=3 7926 B13R1.452 CCNC(=O)N1CCC(CC1)CC 2708a_100015525214_100000754474 [0,1,0,1,0,0|2,0,0]=4 7927 B13R1.452 CCNC(=O)N1CCC(CC1)CC 273464a_100015525214_100000754474 [0,1,0,1,0,0|2,0,0]=4 7928 B13R1.452 CCNC(=O)N1CCC(CC1)CF 2708a_100015525214_100015203933 [0,1,0,1,0,0|2,0,0]=4 7929 B13R1.452 CCNC(=O)N1CCC(CC1)CF 273464a_100015525214_100015203933 [0,1,0,1,0,0|2,0,0]=4 7930 B13R1.452 CCNC(=O)N1CCC(CC1)CO 2708a_100015525214_100000738675 [0,1,0,1,0,0|2,0,0]=4 7931 B13R1.452 CCNC(=O)N1CCC(CC1)CO 273464a_100015525214_100000738675 [0,1,0,1,0,0|2,0,0]=4 7932 B13R1.452 CCNC(=O)N1CCC(CC1)OC 2708a_100015525214_100000234800 [0,1,0,1,0,0|2,0,0]=4 7933 B13R1.452 CCNC(=O)N1CCC(CC1)OC 273464a_100015525214_100000234800 [0,1,0,1,0,0|2,0,0]=4 7934 B13R1.452 CCNC(=O)N1CCC(CC1)SC 2708a_100015525214_100015202541 [0,1,0,1,0,0|2,0,0]=4 7935 B13R1.452 CCNC(=O)N1CCC(CC1)SC 273464a_100015525214_100015202541 [0,1,0,1,0,0|2,0,0]=4 7936 B13R1.452 CCNC(=O)N1CCN(CC1)CC 2708a_100015525214_100000210033 [0,1,0,1,0,0|2,0,0]=4 7937 B13R1.452 CCNC(=O)N1CCN(CC1)CC 273464a_100015525214_100000210033 [0,1,0,1,0,0|2,0,0]=4 7938 B13R1.452 CCNC(=O)[C@H]1CC[C@@H](CC1)C#N 11a_100015525214_100132307125 [0,1,0,1,0,0|1,0,1]=4 7939 B13R1.452 CCNC(=O)[C@H]1CC[C@@H](CC1)C#N 240690a_100015525214_100132307125 [0,1,0,1,0,0|1,0,1]=4 7940 B13R1.452 CCNC(=O)[C@H]1CC[C@@H](CC1)C#N 527a_100015525214_100132307125 [0,1,0,1,0,0|1,0,1]=4 7941 B13R1.452 CCNC(=O)[C@H]1CC[C@@H](CC1)CC 11a_100015525214_100000709782 [0,1,0,1,0,0|1,0,0]=3 7942 B13R1.452 CCNC(=O)[C@H]1CC[C@@H](CC1)CC 240690a_100015525214_100000709782 [0,1,0,1,0,0|1,0,0]=3 7943 B13R1.452 CCNC(=O)[C@H]1CC[C@@H](CC1)CC 527a_100015525214_100000709782 [0,1,0,1,0,0|1,0,0]=3 7944 B13R1.452 CCOC(=O)C1CCC(CC1)NC 270004a_106832991635_100000033286 [0,1,0,1,0,0|0,0,0]=2 7945 B13R1.452 CCOC(=O)C1CCC(CC1)OC 7a_100011219671_200000210301 [0,1,0,1,0,0|0,0,0]=2 7946 B13R1.452 CCOC(=O)C1CCC(CC1)O[13CH3] 7a_100011219671_200025704644 [0,1,0,1,0,0|0,0,0]=2 7947 B13R1.452 CCOC(=O)C1CCN(CC1)CC 2230a_100000210402_100000210202 [0,1,0,1,0,0|0,0,0]=2 7948 B13R1.452 CCOC(=O)C1CCN(CC1)CC 269982a_100000210402_100000204670 [0,1,0,1,0,0|0,0,0]=2 7949 B13R1.452 CCOC(=O)C1CCN(CC1)CF 269982a_100000210402_100015361967 [0,1,0,1,0,0|1,0,0]=3 7950 B13R1.452 CCOC(=O)N1CCC(CC1)NC 270004a_106832991635_100000162416 [0,1,0,1,0,0|1,0,0]=3 7951 B13R1.452 CCOC(=O)N1CCC(CC1)OC 7a_100000246467_200000210301 [0,1,0,1,0,0|1,0,0]=3 7952 B13R1.452 CCOC(=O)N1CCC(CC1)O[13CH3] 7a_100000246467_200025704644 [0,1,0,1,0,0|1,0,0]=3 7953 B13R1.452 CCOC(=O)N1CCC(CC1)SC 62a_200000210301_100000069185 [0,1,0,1,0,0|1,0,0]=3 7954 B13R1.452 CCOC(=O)N1CCC(CC1)S[13CH3] 62a_200025704644_100000069185 [0,1,0,1,0,0|1,0,0]=3 7955 B13R1.452 CCOC(=O)N1CCN(CC1)CC 2230a_100000210854_100000210202 [0,1,0,1,0,0|1,0,0]=3 7956 B13R1.452 CCOC(=O)N1CCN(CC1)CC 269982a_100000210854_100000204670 [0,1,0,1,0,0|1,0,0]=3 7957 B13R1.452 CCOC(=O)N1CCN(CC1)CF 269982a_100000210854_100015361967 [0,1,0,1,0,0|2,0,0]=4 7958 B13R1.452 CC[C@H]1CC[C@@H](CC1)C(=O)CCF 1458a_100000709782_100011217306 [0,1,0,1,0,0|2,0,0]=4 7959 B13R1.452 CC[C@H]1CC[C@@H](CC1)C(=O)CCO 1458a_100000709782_100000211926 [0,1,0,1,0,0|2,0,0]=4 7960 B13R1.452 CC[C@H]1CC[C@@H](CC1)C(=O)NNC 22a_100016993582_100000709782 [0,1,0,1,0,0|2,0,0]=4 7961 B13R1.452 CNNC(=O)C1CCC(CC1)CO 22a_100016993582_100011217856 [0,1,0,1,0,0|2,0,0]=4 7962 B13R1.452 CNNC(=O)C1CCC(CC1)OC 22a_100016993582_100011215563 [0,1,0,1,0,0|2,0,0]=4 7963 B13R1.452 COC1CCC(CC1)C(=O)CCF 1458a_100011215563_100011217306 [0,1,0,1,0,0|2,0,0]=4 7964 B13R1.452 COC1CCC(CC1)C(=O)CCO 1458a_100011215563_100000211926 [0,1,0,1,0,0|2,0,0]=4 7965 B13R1.452 O=C(CCF)C1CCC(CC1)CO 1458a_100011217856_100011217306 [0,1,0,1,0,0|2,0,0]=4 7966 B13R1.452 O=C(CCO)C1CCC(CC1)CO 1458a_100011217856_100000211926 [0,1,0,1,0,0|2,0,0]=4 7967 B13R1.2444 CCN(CCCCO)C(=O)C1CC1 240690a_100011217355_100000210395 [0,1,0,1,0,0|2,0,0]=4 7968 B13R1.2461 C#CCCNC1(CC1)C(=O)OCC 34a_100000755551_100009861064 [0,1,0,1,0,0|0,0,2]=4 7969 B13R1.2461 C#CCCOC1(CC1)C(=O)OCC 34a_100011215631_100009861064 [0,1,0,1,0,0|0,0,2]=4 7970 B13R1.2461 C#CCCOC1(CC1)C(=O)OCC 7a_200011934196_100000688953 [0,1,0,1,0,0|0,0,2]=4 7971 B13R1.2461 C#CCCSC1(CC1)C(=O)OCC 62a_100000688953_100009861064 [0,1,0,1,0,0|0,0,2]=4 7972 B13R1.2461 C#CCCSC1(CC1)C(=O)OCC 62a_100009861064_100000688953 [0,1,0,1,0,0|0,0,2]=4 7973 B13R1.2461 C#CCNCC1(CC1)C(=O)OCC 34a_100000212058_100010983122 [0,1,0,1,0,0|0,0,2]=4 7974 B13R1.2461 C#CCOCC1(CC1)C(=O)OCC 34a_100000210247_100010983122 [0,1,0,1,0,0|0,0,2]=4 7975 B13R1.2461 C#CCOCC1(CC1)C(=O)OCC 7a_100000093544_100000038162 [0,1,0,1,0,0|0,0,2]=4 7976 B13R1.2461 C#CCSCC1(CC1)C(=O)OCC 62a_100000038162_100010983122 [0,1,0,1,0,0|0,0,2]=4 7977 B13R1.2461 C/C=C/COC1(CC1)C(=O)OCC 34a_100016270725_100009861064 [0,1,0,1,0,0|0,0,2]=4 7978 B13R1.2461 C/C=C/COC1(CC1)C(=O)OCC 7a_200011934196_100102629194 [0,1,0,1,0,0|0,0,2]=4 7979 B13R1.2461 C/C=C/CSC1(CC1)C(=O)OCC 62a_100009861064_100102629194 [0,1,0,1,0,0|0,0,2]=4 7980 B13R1.2461 C/C=C/CSC1(CC1)C(=O)OCC 62a_100102629194_100009861064 [0,1,0,1,0,0|0,0,2]=4 7981 B13R1.2461 C=CCCOC1(CC1)C(=O)OCC 34a_100011205117_100009861064 [0,1,0,1,0,0|0,0,2]=4 7982 B13R1.2461 C=CCCOC1(CC1)C(=O)OCC 7a_200011934196_100000754431 [0,1,0,1,0,0|0,0,2]=4 7983 B13R1.2461 C=CCCSC1(CC1)C(=O)OCC 62a_100000754431_100009861064 [0,1,0,1,0,0|0,0,2]=4 7984 B13R1.2461 C=CCCSC1(CC1)C(=O)OCC 62a_100009861064_100000754431 [0,1,0,1,0,0|0,0,2]=4 7985 B13R1.2461 C=CCNCC1(CC1)C(=O)OCC 2230a_100020586998_100010983122 [0,1,0,1,0,0|0,0,2]=4 7986 B13R1.2461 C=CCOCC1(CC1)C(=O)OCC 34a_200000210373_100010983122 [0,1,0,1,0,0|0,0,2]=4 7987 B13R1.2461 C=CCOCC1(CC1)C(=O)OCC 7a_100000093544_100015514636 [0,1,0,1,0,0|0,0,2]=4 7988 B13R1.2461 C=CCSCC1(CC1)C(=O)OCC 62a_100000210623_100010983122 [0,1,0,1,0,0|0,0,2]=4 7989 B13R1.2461 C=CCSCC1(CC1)C(=O)OCC 62a_100010983122_100000210623 [0,1,0,1,0,0|0,0,2]=4 7990 B13R1.2461 CC#CCNC1(CC1)C(=O)OCC 34a_100000685387_100009861064 [0,1,0,1,0,0|0,0,2]=4 7991 B13R1.2461 CC#CCOC1(CC1)C(=O)OCC 34a_100000761923_100009861064 [0,1,0,1,0,0|0,0,2]=4 7992 B13R1.2461 CC#CCOC1(CC1)C(=O)OCC 7a_200011934196_100000748600 [0,1,0,1,0,0|0,0,2]=4 7993 B13R1.2461 CC#CCSC1(CC1)C(=O)OCC 62a_100000748600_100009861064 [0,1,0,1,0,0|0,0,2]=4 7994 B13R1.2461 CC#CCSC1(CC1)C(=O)OCC 62a_100009861064_100000748600 [0,1,0,1,0,0|0,0,2]=4 7995 B13R1.2461 CC=CCOC1(CC1)C(=O)OCC 7a_200011934196_100000070051 [0,1,0,1,0,0|0,0,2]=4 7996 B13R1.2461 CC=CCSC1(CC1)C(=O)OCC 62a_100000070051_100009861064 [0,1,0,1,0,0|0,0,2]=4 7997 B13R1.2461 CC=CCSC1(CC1)C(=O)OCC 62a_100009861064_100000070051 [0,1,0,1,0,0|0,0,2]=4 7998 B13R1.2461 CCCCNC1(CC1)C(=O)OCC 7a_106832991798_100009861064 [0,1,0,1,0,0|0,0,0]=2 7999 B13R1.2461 CCCCOC1(CC1)C(=O)OCC 34a_100000210227_100009861064 [0,1,0,1,0,0|0,0,0]=2 8000 B13R1.2461 CCCCOC1(CC1)C(=O)OCC 7a_100000210227_100009861064 [0,1,0,1,0,0|0,0,0]=2 8001 B13R1.2461 CCCCOC1(CC1)C(=O)OCC 7a_200011934196_100000210211 [0,1,0,1,0,0|0,0,0]=2 8002 B13R1.2461 CCCCSC1(CC1)C(=O)OCC 62a_100000210211_100009861064 [0,1,0,1,0,0|0,0,0]=2 8003 B13R1.2461 CCCCSC1(CC1)C(=O)OCC 62a_100009861064_100000210210 [0,1,0,1,0,0|0,0,0]=2 8004 B13R1.2461 CCCOCC1(CC1)C(=O)OCC 34a_100000210258_100010983122 [0,1,0,1,0,0|0,0,0]=2 8005 B13R1.2461 CCCOCC1(CC1)C(=O)OCC 7a_100000093544_100000210303 [0,1,0,1,0,0|0,0,0]=2 8006 B13R1.2461 CCCSCC1(CC1)C(=O)OCC 62a_100000210303_100010983122 [0,1,0,1,0,0|0,0,0]=2 8007 B13R1.2461 CCCSCC1(CC1)C(=O)OCC 62a_100010983122_100000210303 [0,1,0,1,0,0|0,0,0]=2 8008 B13R1.2461 CCOC(=O)C1(CC1)CNCCF 34a_100000724931_100010983122 [0,1,0,1,0,0|1,0,0]=3 8009 B13R1.2461 CCOC(=O)C1(CC1)CNCCO 2230a_100016997473_100010983122 [0,1,0,1,0,0|1,0,0]=3 8010 B13R1.2461 CCOC(=O)C1(CC1)CNCCO 34a_100016990907_100010983122 [0,1,0,1,0,0|1,0,0]=3 8011 B13R1.2461 CCOC(=O)C1(CC1)COCC#N 7a_100000093544_100011215382 [0,1,0,1,0,0|1,0,1]=4 8012 B13R1.2461 CCOC(=O)C1(CC1)COCC=O 7a_100000093544_200015260668 [0,1,0,1,0,0|1,0,1]=4 8013 B13R1.2461 CCOC(=O)C1(CC1)COCCBr 34a_100000211926_100010983122 [0,1,0,1,0,0|1,0,0]=3 8014 B13R1.2461 CCOC(=O)C1(CC1)COCCF 7a_100000093544_100011217306 [0,1,0,1,0,0|1,0,0]=3 8015 B13R1.2461 CCOC(=O)C1(CC1)COCCN 34a_100000210304_100010983122 [0,1,0,1,0,0|1,0,0]=3 8016 B13R1.2461 CCOC(=O)C1(CC1)COCCO 7a_100000093544_100000211926 [0,1,0,1,0,0|1,0,0]=3 8017 B13R1.2461 CCOC(=O)C1(CC1)CSCC#N 62a_100010983122_100011215382 [0,1,0,1,0,0|1,0,1]=4 8018 B13R1.2461 CCOC(=O)C1(CC1)CSCC#N 62a_100011215382_100010983122 [0,1,0,1,0,0|1,0,1]=4 8019 B13R1.2461 CCOC(=O)C1(CC1)CSCC=O 62a_100010983122_200015260668 [0,1,0,1,0,0|1,0,1]=4 8020 B13R1.2461 CCOC(=O)C1(CC1)CSCC=O 62a_200015260668_100010983122 [0,1,0,1,0,0|1,0,1]=4 8021 B13R1.2461 CCOC(=O)C1(CC1)CSCCF 62a_100010983122_100011217306 [0,1,0,1,0,0|1,0,0]=3 8022 B13R1.2461 CCOC(=O)C1(CC1)CSCCF 62a_100011217306_100010983122 [0,1,0,1,0,0|1,0,0]=3 8023 B13R1.2461 CCOC(=O)C1(CC1)CSCCO 62a_100000211926_100010983122 [0,1,0,1,0,0|1,0,0]=3 8024 B13R1.2461 CCOC(=O)C1(CC1)CSCCO 62a_100010983122_100000211926 [0,1,0,1,0,0|1,0,0]=3 8025 B13R1.2461 CCOC(=O)C1(CC1)CSCOC 62a_100000766300_100010983122 [0,1,0,1,0,0|1,0,0]=3 8026 B13R1.2461 CCOC(=O)C1(CC1)CSCOC 62a_100010983122_100000766300 [0,1,0,1,0,0|1,0,0]=3 8027 B13R1.2461 CCOC(=O)C1(CC1)CSCSC 62a_100010983122_100011218213 [0,1,0,1,0,0|1,0,0]=3 8028 B13R1.2461 CCOC(=O)C1(CC1)CSCSC 62a_100011218213_100010983122 [0,1,0,1,0,0|1,0,0]=3 8029 B13R1.2461 CCOC(=O)C1(CC1)NCCCF 34a_100015189416_100009861064 [0,1,0,1,0,0|1,0,0]=3 8030 B13R1.2461 CCOC(=O)C1(CC1)OCCC#N 7a_200011934196_100000184422 [0,1,0,1,0,0|1,0,1]=4 8031 B13R1.2461 CCOC(=O)C1(CC1)OCCCBr 34a_100011217188_100009861064 [0,1,0,1,0,0|1,0,0]=3 8032 B13R1.2461 CCOC(=O)C1(CC1)OCCCCl 34a_100000230001_100009861064 [0,1,0,1,0,0|1,0,0]=3 8033 B13R1.2461 CCOC(=O)C1(CC1)OCCCF 34a_100000759539_100009861064 [0,1,0,1,0,0|1,0,0]=3 8034 B13R1.2461 CCOC(=O)C1(CC1)OCCCF 7a_200011934196_100011934791 [0,1,0,1,0,0|1,0,0]=3 8035 B13R1.2461 CCOC(=O)C1(CC1)OCCCN 34a_100000182051_100009861064 [0,1,0,1,0,0|1,0,0]=3 8036 B13R1.2461 CCOC(=O)C1(CC1)OCCCO 7a_200011934196_100011215043 [0,1,0,1,0,0|1,0,0]=3 8037 B13R1.2461 CCOC(=O)C1(CC1)OCCOC 34a_100000210237_100009861064 [0,1,0,1,0,0|1,0,0]=3 8038 B13R1.2461 CCOC(=O)C1(CC1)OCCOC 7a_200011934196_100000233755 [0,1,0,1,0,0|1,0,0]=3 8039 B13R1.2461 CCOC(=O)C1(CC1)OCCON 34a_100000700252_100009861064 [0,1,0,1,0,0|2,0,0]=4 8040 B13R1.2461 CCOC(=O)C1(CC1)OCCSC 34a_100000230434_100009861064 [0,1,0,1,0,0|1,0,0]=3 8041 B13R1.2461 CCOC(=O)C1(CC1)OCCSC 7a_100000230434_100009861064 [0,1,0,1,0,0|1,0,0]=3 8042 B13R1.2461 CCOC(=O)C1(CC1)OCCSC 7a_200011934196_100000212216 [0,1,0,1,0,0|1,0,0]=3 8043 B13R1.2461 CCOC(=O)C1(CC1)SCCC#N 62a_100009861064_100011215226 [0,1,0,1,0,0|1,0,1]=4 8044 B13R1.2461 CCOC(=O)C1(CC1)SCCC#N 62a_100011215226_100009861064 [0,1,0,1,0,0|1,0,1]=4 8045 B13R1.2461 CCOC(=O)C1(CC1)SCCCF 62a_100009861064_100011934791 [0,1,0,1,0,0|1,0,0]=3 8046 B13R1.2461 CCOC(=O)C1(CC1)SCCCF 62a_100011934791_100009861064 [0,1,0,1,0,0|1,0,0]=3 8047 B13R1.2461 CCOC(=O)C1(CC1)SCCCO 62a_100009861064_100011215043 [0,1,0,1,0,0|1,0,0]=3 8048 B13R1.2461 CCOC(=O)C1(CC1)SCCCO 62a_100011215043_100009861064 [0,1,0,1,0,0|1,0,0]=3 8049 B13R1.2461 CCOC(=O)C1(CC1)SCCOC 62a_100000233755_100009861064 [0,1,0,1,0,0|1,0,0]=3 8050 B13R1.2461 CCOC(=O)C1(CC1)SCCOC 62a_100009861064_100000233755 [0,1,0,1,0,0|1,0,0]=3 8051 B13R1.2461 CCOC(=O)C1(CC1)SCCSC 62a_100000212216_100009861064 [0,1,0,1,0,0|1,0,0]=3 8052 B13R1.2461 CCOC(=O)C1(CC1)SCCSC 62a_100009861064_100000751147 [0,1,0,1,0,0|1,0,0]=3 8053 B13R1.2461 CCOCSC1(CC1)C(=O)OCC 62a_100000739092_100009861064 [0,1,0,1,0,0|1,0,0]=3 8054 B13R1.2461 CCOCSC1(CC1)C(=O)OCC 62a_100009861064_100000739092 [0,1,0,1,0,0|1,0,0]=3 8055 B13R1.3516 CCC1C(=O)NCCN1CCCF 2230a_100000187962_100011934791 [0,1,0,1,0,0|2,0,0]=4 8056 B13R1.3516 CCC1C(=O)NCCN1CCCF 269982a_100000187962_100011934791 [0,1,0,1,0,0|2,0,0]=4 8057 B13R1.3516 CCC1C(=O)NCCN1CCCF 34a_100000187962_100011934791 [0,1,0,1,0,0|2,0,0]=4 8058 B13R1.3516 CCC1C(=O)NCCN1CCCO 2230a_100000187962_100000230001 [0,1,0,1,0,0|2,0,0]=4 8059 B13R1.3516 CCC1C(=O)NCCN1CCCO 269982a_100000187962_100011215043 [0,1,0,1,0,0|2,0,0]=4 8060 B13R1.3516 CCC1C(=O)NCCN1CCCO 34a_100000187962_100000230001 [0,1,0,1,0,0|2,0,0]=4 8061 B13R1.3516 CCC1C(=O)NCCN1CCOC 2230a_100000187962_100011201679 [0,1,0,1,0,0|2,0,0]=4 8062 B13R1.3516 CCC1C(=O)NCCN1CCOC 269982a_100000187962_100000233755 [0,1,0,1,0,0|2,0,0]=4 8063 B13R1.3516 CCC1C(=O)NCCN1CCOC 34a_100000187962_100011201679 [0,1,0,1,0,0|2,0,0]=4 8064 B13R1.3516 CCC1C(=O)NCCN1CCSC 2230a_100000187962_100000751147 [0,1,0,1,0,0|2,0,0]=4 8065 B13R1.3516 CCC1C(=O)NCCN1CCSC 269982a_100000187962_100000212216 [0,1,0,1,0,0|2,0,0]=4 8066 B13R1.3516 CCC1C(=O)NCCN1CCSC 34a_100000187962_100000212216 [0,1,0,1,0,0|2,0,0]=4 8067 B13R1.3516 CCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210211 [0,1,0,1,0,0|1,0,0]=3 8068 B13R1.3516 CCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210211 [0,1,0,1,0,0|1,0,0]=3 8069 B13R1.3516 CCCCN1CCNC(=O)C1CC 34a_100000187962_100000210210 [0,1,0,1,0,0|1,0,0]=3 8070 B13R1.3516 CCOCN1CCNC(=O)C1CC 269982a_100000187962_100000739092 [0,1,0,1,0,0|2,0,0]=4 8071 B13R1.4472 CCCC(=O)C1(CCOCC1)CO 1458a_100012175746_100000210303 [0,1,0,1,0,0|2,0,0]=4 8072 B13R1.4472 CCNC(=O)C1(CCOCC1)CO 240690a_100015525214_100012175746 [0,1,0,1,0,0|2,0,0]=4 8073 B13R1.4472 CCOC(=O)C1(CCCCC1)OC 34a_200011213212_200000210301 [0,1,0,1,0,0|1,0,0]=3 8074 B13R1.4472 CCOC(=O)C1(CCCCC1)OC 7a_200011213212_200000210301 [0,1,0,1,0,0|1,0,0]=3 8075 B13R1.4472 CCOC(=O)C1(CCCCC1)O[13CH3] 34a_200011213212_200025704644 [0,1,0,1,0,0|1,0,0]=3 8076 B13R1.4472 CCOC(=O)C1(CCCCC1)O[13CH3] 7a_200011213212_200025704644 [0,1,0,1,0,0|1,0,0]=3 8077 B13R1.8919 CCCNCC1C(=CCCC1C)C 270004a_100020643023_100000066159 [0,1,0,1,0,0|2,0,0]=4 8078 B13R1.4100 CCCN1CCNC(=O)C1(C)CC 2230a_100011653952_100000210303 [0,1,0,1,0,0|2,0,0]=4 8079 B13R1.4100 CCCN1CCNC(=O)C1(C)CC 269982a_100011653952_100000210303 [0,1,0,1,0,0|2,0,0]=4 8080 B13R1.4100 CCCN1CCNC(=O)C1(C)CC 34a_100011653952_100000210303 [0,1,0,1,0,0|2,0,0]=4 8081 B13R1.4446 CCCC(=O)C1(CCN(CC1)C)O 1458a_100015186493_100000210303 [0,1,0,1,0,0|2,0,0]=4 8082 B13R1.4446 CCNC(=O)C1(CCN(CC1)C)O 240690a_100015525214_100015186493 [0,1,0,1,0,0|2,0,0]=4 8083 B13R1.4446 CCOC(=O)C1(CCN(CC1)C)C 2230a_100000696230_200000210301 [0,1,0,1,0,0|1,0,0]=3 8084 B13R1.4446 CCOC(=O)C1(CCN(CC1)C)C 269982a_100000696230_200000210301 [0,1,0,1,0,0|1,0,0]=3 8085 B13R1.4446 CCOC(=O)C1(CCN(CC1)C)F 2230a_100016253957_200000210301 [0,1,0,1,0,0|1,0,0]=3 8086 B13R1.4446 CCOC(=O)C1(CCN(CC1)C)F 269982a_100016253957_200000210301 [0,1,0,1,0,0|1,0,0]=3 8087 B13R1.4446 CCOC(=O)C1(CCN(CC1)[13CH3])C 2230a_100000696230_200025704644 [0,1,0,1,0,0|1,0,0]=3 8088 B13R1.4446 CCOC(=O)C1(CCN(CC1)[13CH3])C 269982a_100000696230_200025704644 [0,1,0,1,0,0|1,0,0]=3 8089 B13R1.4446 CCOC(=O)C1(CCN(CC1)[13CH3])F 2230a_100016253957_200025704644 [0,1,0,1,0,0|1,0,0]=3 8090 B13R1.4446 CCOC(=O)C1(CCN(CC1)[13CH3])F 269982a_100016253957_200025704644 [0,1,0,1,0,0|1,0,0]=3 8091 B13R1.29 CCOC(C)(C)C1CCC(CC1)C 34a_200011215047_100000210202 [0,1,0,1,0,0|1,0,1]=4 8092 B13R1.29 CCOC(C)(C)C1CCC(CC1)C 7a_200011215047_100000210202 [0,1,0,1,0,0|1,0,1]=4 8093 B13R2.520 CC1CCC(CC1)C(=O)C2CC2 1458a_100000210395_200011216234 [0,0,0,2,0,0|1,0,0]=3 8094 B13R2.520 CC1CCC(CC1)C(=O)C2CO2 1458a_100000701028_200011216234 [0,0,0,2,0,0|2,0,0]=4 8095 B13R2.520 CC1CCN(CC1)C(=O)C2CC2 240690a_100000188429_100000210395 [0,0,0,2,0,0|2,0,0]=4 8096 B13R2.520 CC1CCN(CC1)C(=O)C2CC2 527a_100000188429_100000210395 [0,0,0,2,0,0|2,0,0]=4 8097 B13R2.821 CCOC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)C 2230a_100102947547_200000210301 [0,0,0,2,0,0|1,0,0]=3 8098 B13R2.821 CCOC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)C 269982a_100102947547_200000210301 [0,0,0,2,0,0|1,0,0]=3 8099 B13R2.821 CCOC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)[13CH3] 2230a_100102947547_200025704644 [0,0,0,2,0,0|1,0,0]=3 8100 B13R2.821 CCOC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)[13CH3] 269982a_100102947547_200025704644 [0,0,0,2,0,0|1,0,0]=3 8101 B13R2.5102 CN1CCC2(CCNC2=O)CC1 2230a_100015190449_200000210301 [0,0,0,2,0,0|2,0,0]=4 8102 B13R2.5102 CN1CCC2(CCNC2=O)CC1 269982a_100015190449_200000210301 [0,0,0,2,0,0|2,0,0]=4 8103 B13R2.5102 CN1CCC2(CCNC2=O)CC1 34a_100015190449_200000210301 [0,0,0,2,0,0|2,0,0]=4 8104 B13R2.5102 [13CH3]N1CCC2(CCNC2=O)CC1 2230a_100015190449_200025704644 [0,0,0,2,0,0|2,0,0]=4 8105 B13R2.5102 [13CH3]N1CCC2(CCNC2=O)CC1 269982a_100015190449_200025704644 [0,0,0,2,0,0|2,0,0]=4 8106 B13R2.5102 [13CH3]N1CCC2(CCNC2=O)CC1 34a_100015190449_200025704644 [0,0,0,2,0,0|2,0,0]=4 8107 B13R2.3045 O=C1CCCCCC1SC2CC2 62a_100000243696_100000211595 [0,0,0,2,0,0|2,0,0]=4 8108 B13R2.3045 O=C1NCCCCC1NC2CC2 34a_100000698827_100000211595 [0,0,0,2,0,0|2,0,0]=4 8109 B13R2.3045 O=C1NCCCCC1SC2CC2 62a_100000735217_100000211595 [0,0,0,2,0,0|2,0,0]=4 8110 B13R2.4901 O=C1CCCCCC1N2CCC2 269982a_100000754969_100000243696 [0,0,0,2,0,0|2,0,0]=4 8111 B13R2.4901 O=C1NCCCCC1N2CCC2 269982a_100000754969_100000735217 [0,0,0,2,0,0|2,0,0]=4 8112 B13R2.2452 CCCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_100000210303_200015607011 [0,0,0,2,0,0|2,0,0]=4 8113 B13R2.2452 CCCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_100000210303 [0,0,0,2,0,0|2,0,0]=4 8114 B13R2.856 CC#CC(=O)C1CC2CCC1C2 1458a_100000763181_100000727232 [0,0,0,2,0,0|1,0,1]=4 8115 B13R2.856 CC=CC(=O)C1CC2CCC1C2 1458a_100000210699_100000727232 [0,0,0,2,0,0|1,0,1]=4 8116 B13R2.856 CCCC(=O)C1CC2CCC1C2 1458a_100000181847_100000210303 [0,0,0,2,0,0|1,0,0]=3 8117 B13R2.856 CCCC(=O)C1CC2CCC1C2 1458a_100000211992_100000727232 [0,0,0,2,0,0|1,0,0]=3 8118 B13R2.856 CCCC(=O)N1CC2CCC1C2 11a_100000743476_100000211992 [0,0,0,2,0,0|2,0,0]=4 8119 B13R2.856 CCCC(=O)N1CC2CCC1C2 1626a_100000743476_100000211992 [0,0,0,2,0,0|2,0,0]=4 8120 B13R2.856 CCCC(=O)N1CC2CCC1C2 240690a_100000743476_100000211992 [0,0,0,2,0,0|2,0,0]=4 8121 B13R2.856 CCCC(=O)N1CC2CCC1C2 527a_100000743476_100000211992 [0,0,0,2,0,0|2,0,0]=4 8122 B13R2.856 CCNC(=O)C1CC2CCC1C2 11a_100015525214_100000181847 [0,0,0,2,0,0|1,0,0]=3 8123 B13R2.856 CCNC(=O)C1CC2CCC1C2 240690a_100015525214_100000181847 [0,0,0,2,0,0|1,0,0]=3 8124 B13R2.856 CCNC(=O)C1CC2CCC1C2 527a_100015525214_100000181847 [0,0,0,2,0,0|1,0,0]=3 8125 B13R2.856 CCNC(=O)N1CC2CCC1C2 2708a_100015525214_100000743476 [0,0,0,2,0,0|2,0,0]=4 8126 B13R2.856 CCNC(=O)N1CC2CCC1C2 273464a_100015525214_100000743476 [0,0,0,2,0,0|2,0,0]=4 8127 B13R2.856 CNNC(=O)C1CC2CCC1C2 22a_100016993582_100000181847 [0,0,0,2,0,0|2,0,0]=4 8128 B13R2.856 COCC(=O)C1CC2CCC1C2 1458a_100000210968_100000727232 [0,0,0,2,0,0|2,0,0]=4 8129 B13R2.856 CSCC(=O)C1CC2CCC1C2 1458a_100000184570_100000727232 [0,0,0,2,0,0|2,0,0]=4 8130 B13R2.856 O=C(CCF)C1CC2CCC1C2 1458a_100000181847_100011217306 [0,0,0,2,0,0|2,0,0]=4 8131 B13R2.856 O=C(CCO)C1CC2CCC1C2 1458a_100000181847_100000211926 [0,0,0,2,0,0|2,0,0]=4 8132 B13R2.856 O=C(CCO)C1CC2CCC1C2 1458a_100011216618_100000727232 [0,0,0,2,0,0|2,0,0]=4 8133 B13R2.3097 CC1CCCCN1C(=O)C2CC2 11a_100000211376_100000210395 [0,0,0,2,0,0|2,0,0]=4 8134 B13R2.3097 CC1CCCCN1C(=O)C2CC2 1626a_100000211376_100000210395 [0,0,0,2,0,0|2,0,0]=4 8135 B13R2.3097 CC1CCCCN1C(=O)C2CC2 240690a_100000211376_100000210395 [0,0,0,2,0,0|2,0,0]=4 8136 B13R2.3097 CC1CCCCN1C(=O)C2CC2 527a_100000211376_100000210395 [0,0,0,2,0,0|2,0,0]=4 8137 B13R2.14853 CCCC(=O)N1CCC2(C1)CC2 11a_100000697357_100000211992 [0,0,0,2,0,0|2,0,0]=4 8138 B13R2.14853 CCCC(=O)N1CCC2(C1)CC2 1626a_100000697357_100000211992 [0,0,0,2,0,0|2,0,0]=4 8139 B13R2.14853 CCCC(=O)N1CCC2(C1)CC2 240690a_100000697357_100000211992 [0,0,0,2,0,0|2,0,0]=4 8140 B13R2.14853 CCCC(=O)N1CCC2(C1)CC2 527a_100000697357_100000211992 [0,0,0,2,0,0|2,0,0]=4 8141 B13R2.14853 CCNC(=O)N1CCC2(C1)CC2 2708a_100015525214_100000697357 [0,0,0,2,0,0|2,0,0]=4 8142 B13R2.2615 CCC1C(=O)NCCN1C2CC2 269982a_100000187962_100000211595 [0,0,0,2,0,0|2,0,0]=4 8143 B13R2.2615 CCC1C(=O)NCCN1C2CC2 34a_100000187962_100000211595 [0,0,0,2,0,0|2,0,0]=4 8144 B13R2.14823 CCCC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100000210303 [0,0,0,2,0,0|1,0,0]=3 8145 B13R2.14823 CCNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 11a_100015525214_100153394716 [0,0,0,2,0,0|1,0,0]=3 8146 B13R2.14823 CCNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 240690a_100015525214_100153394716 [0,0,0,2,0,0|1,0,0]=3 8147 B13R2.14823 CCNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 527a_100015525214_100153394716 [0,0,0,2,0,0|1,0,0]=3 8148 B13R2.14823 CNNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 22a_100016993582_100153394716 [0,0,0,2,0,0|2,0,0]=4 8149 B13R2.14823 O=C(CCF)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100011217306 [0,0,0,2,0,0|2,0,0]=4 8150 B13R2.14823 O=C(CCO)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100000211926 [0,0,0,2,0,0|2,0,0]=4 8151 B13R2.2283 O=C(C1CC1)N2CCCCCC2 11a_100000185865_100000210395 [0,0,0,2,0,0|2,0,0]=4 8152 B13R2.2283 O=C(C1CC1)N2CCCCCC2 1626a_100000185865_100000210395 [0,0,0,2,0,0|2,0,0]=4 8153 B13R2.2283 O=C(C1CC1)N2CCCCCC2 240690a_100000185865_100000210395 [0,0,0,2,0,0|2,0,0]=4 8154 B13R2.2283 O=C(C1CC1)N2CCCCCC2 527a_100000185865_100000210395 [0,0,0,2,0,0|2,0,0]=4 8155 B13R2.2283 O=C(C1CCCCCC1)C2CC2 1458a_100000210395_100011217769 [0,0,0,2,0,0|1,0,0]=3 8156 B13R2.2283 O=C(C1CCCCCC1)C2CO2 1458a_100000701028_100011217769 [0,0,0,2,0,0|2,0,0]=4 8157 B13R2.8322 CCN(C(=O)C1CC1)C2CCC2 11a_100000758130_100000210395 [0,0,0,2,0,0|2,0,0]=4 8158 B13R2.8322 CCN(C(=O)C1CC1)C2CCC2 1626a_100000758130_100000210395 [0,0,0,2,0,0|2,0,0]=4 8159 B13R2.8322 CCN(C(=O)C1CC1)C2CCC2 240690a_100000758130_100000210395 [0,0,0,2,0,0|2,0,0]=4 8160 B13R2.8322 CCN(C(=O)C1CC1)C2CCC2 527a_100000758130_100000210395 [0,0,0,2,0,0|2,0,0]=4 8161 B13R2.14885 CCOC(=O)C1(CC1)NC2CC2 34a_100000212008_100009861064 [0,0,0,2,0,0|1,0,0]=3 8162 B13R2.14885 CCOC(=O)C1(CC1)SC2CC2 62a_100009861064_100000211595 [0,0,0,2,0,0|1,0,0]=3 8163 B11R0.5 CC=CC(=O)NC(C)CCCC 11a_100000126638_100000210699 [1,0,0,0,0,1|1,0,1]=4 8164 B11R0.5 CC=CC(=O)NC(C)CCCC 1626a_100000126638_100000210699 [1,0,0,0,0,1|1,0,1]=4 8165 B11R0.5 CC=CC(=O)NC(C)CCCC 240690a_100000126638_100000210699 [1,0,0,0,0,1|1,0,1]=4 8166 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [1,0,0,0,0,1|1,0,1]=4 8167 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [1,0,0,0,0,1|1,0,1]=4 8168 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [1,0,0,0,0,1|1,0,0]=3 8169 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [1,0,0,0,0,1|1,0,0]=3 8170 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [1,0,0,0,0,1|1,0,0]=3 8171 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [1,0,0,0,0,1|1,0,0]=3 8172 B11R0.5 CCCCC(C)NC(=O)CCO 240690a_100000126638_100011216618 [1,0,0,0,0,1|2,0,0]=4 8173 B11R0.5 CCCCC(C)NC(=O)COC 11a_100000126638_100000210968 [1,0,0,0,0,1|2,0,0]=4 8174 B11R0.5 CCCCC(C)NC(=O)COC 1626a_100000126638_100000210968 [1,0,0,0,0,1|2,0,0]=4 8175 B11R0.5 CCCCC(C)NC(=O)COC 240690a_100000126638_100000210968 [1,0,0,0,0,1|2,0,0]=4 8176 B11R0.5 CCCCC(C)NC(=O)COC 527a_100000126638_100000210968 [1,0,0,0,0,1|2,0,0]=4 8177 B11R0.5 CCCCC(C)NC(=O)CSC 11a_100000126638_100000184570 [1,0,0,0,0,1|2,0,0]=4 8178 B11R0.5 CCCCC(C)NC(=O)CSC 1626a_100000126638_100000184570 [1,0,0,0,0,1|2,0,0]=4 8179 B11R0.5 CCCCC(C)NC(=O)CSC 240690a_100000126638_100000184570 [1,0,0,0,0,1|2,0,0]=4 8180 B11R0.5 CCCCC(C)NC(=O)CSC 527a_100000126638_100000184570 [1,0,0,0,0,1|2,0,0]=4 8181 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [1,0,0,0,0,1|1,0,0]=3 8182 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [1,0,0,0,0,1|1,0,0]=3 8183 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [1,0,0,0,0,1|1,0,0]=3 8184 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [1,0,0,0,0,1|1,0,0]=3 8185 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [1,0,0,0,0,1|1,0,0]=3 8186 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [1,0,0,0,0,1|1,0,0]=3 8187 B11R0.5 CCCCC(C)NC(=O)NNC 273464a_100000126638_100016993582 [1,0,0,0,0,1|2,0,0]=4 8188 B11R0.5 CCCCC(C)NC(=O)NNC 512a_100000126638_100016993582 [1,0,0,0,0,1|2,0,0]=4 8189 B11R0.5 CCCCC(C)NC(=O)NNC 512a_100016993582_100000126638 [1,0,0,0,0,1|2,0,0]=4 8190 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [1,0,0,0,0,1|2,0,0]=4 8191 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [1,0,0,0,0,1|2,0,0]=4 8192 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [1,0,0,0,0,1|2,0,0]=4 8193 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [1,0,0,0,0,1|2,0,0]=4 8194 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [1,0,0,0,0,1|2,0,0]=4 8195 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [1,0,0,0,0,1|2,0,0]=4 8196 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [1,0,0,0,0,1|1,0,0]=3 8197 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [1,0,0,0,0,1|1,0,0]=3 8198 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [1,0,0,0,0,1|1,0,0]=3 8199 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [1,0,0,0,0,1|1,0,0]=3 8200 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [1,0,0,0,0,1|1,0,0]=3 8201 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [1,0,0,0,0,1|1,0,0]=3 8202 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [1,0,0,0,0,1|1,0,0]=3 8203 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [1,0,0,0,0,1|1,0,0]=3 8204 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [1,0,0,0,0,1|1,0,1]=4 8205 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [1,0,0,0,0,1|1,0,1]=4 8206 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [1,0,0,0,0,1|1,0,1]=4 8207 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [1,0,0,0,0,1|2,0,0]=4 8208 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [1,0,0,0,0,1|2,0,0]=4 8209 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [1,0,0,0,0,1|2,0,0]=4 8210 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [1,0,0,0,0,1|2,0,0]=4 8211 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [1,0,0,0,0,1|2,0,0]=4 8212 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [1,0,0,0,0,1|2,0,0]=4 8213 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [1,0,0,0,0,1|2,0,0]=4 8214 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [1,0,0,0,0,1|2,0,0]=4 8215 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [1,0,0,0,0,1|2,0,0]=4 8216 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [1,0,0,0,0,1|2,0,0]=4 8217 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [1,0,0,0,0,1|2,0,0]=4 8218 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [1,0,0,0,0,1|2,0,0]=4 8219 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [1,0,0,0,0,1|2,0,0]=4 8220 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [1,0,0,0,0,1|2,0,0]=4 8221 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [1,0,0,0,0,1|2,0,0]=4 8222 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [1,0,0,0,0,1|2,0,0]=4 8223 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [1,0,0,0,0,1|2,0,0]=4 8224 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [1,0,0,0,0,1|2,0,0]=4 8225 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [1,0,0,0,0,1|2,0,0]=4 8226 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [1,0,0,0,0,1|2,0,0]=4 8227 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [1,0,0,0,0,1|2,0,0]=4 8228 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [1,0,0,0,0,1|2,0,0]=4 8229 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [1,0,0,0,0,1|2,0,0]=4 8230 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100000036008_100011217306 [1,0,0,0,0,1|2,0,0]=4 8231 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100011217306_100000036008 [1,0,0,0,0,1|2,0,0]=4 8232 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000036008_100000211926 [1,0,0,0,0,1|2,0,0]=4 8233 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000211926_100000036008 [1,0,0,0,0,1|2,0,0]=4 8234 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000036008_100000766300 [1,0,0,0,0,1|2,0,0]=4 8235 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000766300_100000036008 [1,0,0,0,0,1|2,0,0]=4 8236 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100000036008_100011218213 [1,0,0,0,0,1|2,0,0]=4 8237 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100011218213_100000036008 [1,0,0,0,0,1|2,0,0]=4 8238 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [1,0,0,0,0,1|1,0,1]=4 8239 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [1,0,0,0,0,1|2,0,0]=4 8240 B11R0.182 CC=CC(=O)NC(CC)CCC 11a_100000747048_100000210699 [1,0,0,0,0,1|1,0,1]=4 8241 B11R0.182 CC=CC(=O)NC(CC)CCC 1626a_100000747048_100000210699 [1,0,0,0,0,1|1,0,1]=4 8242 B11R0.182 CC=CC(=O)NC(CC)CCC 240690a_100000747048_100000210699 [1,0,0,0,0,1|1,0,1]=4 8243 B11R0.182 CCCC(=O)CN(CC)CCC 2230a_100000226822_100000747444 [1,0,0,0,0,1|2,0,0]=4 8244 B11R0.182 CCCC(=O)CN(CC)CCC 269982a_100000226822_100000747444 [1,0,0,0,0,1|2,0,0]=4 8245 B11R0.182 CCCC(=O)NC(CC)CCC 11a_100000747048_100000211992 [1,0,0,0,0,1|1,0,0]=3 8246 B11R0.182 CCCC(=O)NC(CC)CCC 1626a_100000747048_100000211992 [1,0,0,0,0,1|1,0,0]=3 8247 B11R0.182 CCCC(=O)NC(CC)CCC 240690a_100000747048_100000211992 [1,0,0,0,0,1|1,0,0]=3 8248 B11R0.182 CCCC(=O)NC(CC)CCC 527a_100000747048_100000211992 [1,0,0,0,0,1|1,0,0]=3 8249 B11R0.182 CCCC(=O)NC(CC)COC 11a_100000757820_100000211992 [1,0,0,0,0,1|2,0,0]=4 8250 B11R0.182 CCCC(=O)NC(CC)COC 1626a_100000757820_100000211992 [1,0,0,0,0,1|2,0,0]=4 8251 B11R0.182 CCCC(=O)NC(CC)COC 240690a_100000757820_100000211992 [1,0,0,0,0,1|2,0,0]=4 8252 B11R0.182 CCCC(=O)NC(CC)COC 527a_100000757820_100000211992 [1,0,0,0,0,1|2,0,0]=4 8253 B11R0.182 CCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000211992 [1,0,0,0,0,1|2,0,0]=4 8254 B11R0.182 CCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000211992 [1,0,0,0,0,1|2,0,0]=4 8255 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [1,0,0,0,0,1|1,0,0]=3 8256 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [1,0,0,0,0,1|1,0,0]=3 8257 B11R0.182 CCCC(CC)NC(=O)CCO 240690a_100000747048_100011216618 [1,0,0,0,0,1|2,0,0]=4 8258 B11R0.182 CCCC(CC)NC(=O)COC 11a_100000747048_100000210968 [1,0,0,0,0,1|2,0,0]=4 8259 B11R0.182 CCCC(CC)NC(=O)COC 1626a_100000747048_100000210968 [1,0,0,0,0,1|2,0,0]=4 8260 B11R0.182 CCCC(CC)NC(=O)COC 240690a_100000747048_100000210968 [1,0,0,0,0,1|2,0,0]=4 8261 B11R0.182 CCCC(CC)NC(=O)COC 527a_100000747048_100000210968 [1,0,0,0,0,1|2,0,0]=4 8262 B11R0.182 CCCC(CC)NC(=O)CSC 11a_100000747048_100000184570 [1,0,0,0,0,1|2,0,0]=4 8263 B11R0.182 CCCC(CC)NC(=O)CSC 1626a_100000747048_100000184570 [1,0,0,0,0,1|2,0,0]=4 8264 B11R0.182 CCCC(CC)NC(=O)CSC 240690a_100000747048_100000184570 [1,0,0,0,0,1|2,0,0]=4 8265 B11R0.182 CCCC(CC)NC(=O)CSC 527a_100000747048_100000184570 [1,0,0,0,0,1|2,0,0]=4 8266 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100000747048_100015525214 [1,0,0,0,0,1|1,0,0]=3 8267 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100015525214_100000747048 [1,0,0,0,0,1|1,0,0]=3 8268 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100000747048_100015525214 [1,0,0,0,0,1|1,0,0]=3 8269 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100015525214_100000747048 [1,0,0,0,0,1|1,0,0]=3 8270 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100000747048_100015525214 [1,0,0,0,0,1|1,0,0]=3 8271 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100015525214_100000747048 [1,0,0,0,0,1|1,0,0]=3 8272 B11R0.182 CCCC(CC)NC(=O)NNC 273464a_100000747048_100016993582 [1,0,0,0,0,1|2,0,0]=4 8273 B11R0.182 CCCC(CC)NC(=O)NNC 512a_100000747048_100016993582 [1,0,0,0,0,1|2,0,0]=4 8274 B11R0.182 CCCC(CC)NC(=O)NNC 512a_100016993582_100000747048 [1,0,0,0,0,1|2,0,0]=4 8275 B11R0.182 CCCN(CC)CC(=O)NCC 2230a_100000226822_100000183381 [1,0,0,0,0,1|2,0,0]=4 8276 B11R0.182 CCCN(CC)CC(=O)NCC 269982a_100000226822_100000183381 [1,0,0,0,0,1|2,0,0]=4 8277 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000220607_100000210303 [1,0,0,0,0,1|1,0,0]=3 8278 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000221057_100000210202 [1,0,0,0,0,1|1,0,0]=3 8279 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000226822_100000188475 [1,0,0,0,0,1|1,0,0]=3 8280 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000220607_100000210303 [1,0,0,0,0,1|1,0,0]=3 8281 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000221057_100000204670 [1,0,0,0,0,1|1,0,0]=3 8282 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000226822_100000188475 [1,0,0,0,0,1|1,0,0]=3 8283 B11R0.182 CCCN(CF)CC(=O)OCC 269982a_100000221057_100015361967 [1,0,0,0,0,1|2,0,0]=4 8284 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100000732646 [1,0,0,0,0,1|2,0,0]=4 8285 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100000732646_100015525214 [1,0,0,0,0,1|2,0,0]=4 8286 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100000732646 [1,0,0,0,0,1|2,0,0]=4 8287 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100000732646_100015525214 [1,0,0,0,0,1|2,0,0]=4 8288 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100000732646 [1,0,0,0,0,1|2,0,0]=4 8289 B11R0.182 CCNC(=O)NC(CC)COC 2708a_100000757820_100015525214 [1,0,0,0,0,1|2,0,0]=4 8290 B11R0.182 CCNC(=O)NC(CC)COC 2708a_100015525214_100000757820 [1,0,0,0,0,1|2,0,0]=4 8291 B11R0.182 CCNC(=O)NC(CC)COC 273464a_100000757820_100015525214 [1,0,0,0,0,1|2,0,0]=4 8292 B11R0.182 CCNC(=O)NC(CC)COC 273464a_100015525214_100000757820 [1,0,0,0,0,1|2,0,0]=4 8293 B11R0.182 CCNC(=O)NC(CC)COC 512a_100000757820_100015525214 [1,0,0,0,0,1|2,0,0]=4 8294 B11R0.182 CCNC(=O)NC(CC)COC 512a_100015525214_100000757820 [1,0,0,0,0,1|2,0,0]=4 8295 B11R0.182 CCOC(=O)CN(CC)CCF 2230a_100000220607_100011217306 [1,0,0,0,0,1|2,0,0]=4 8296 B11R0.182 CCOC(=O)CN(CC)CCF 269982a_100000220607_100011217306 [1,0,0,0,0,1|2,0,0]=4 8297 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000210973_100000188475 [1,0,0,0,0,1|2,0,0]=4 8298 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000220607_100000211926 [1,0,0,0,0,1|2,0,0]=4 8299 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000210973_100000188475 [1,0,0,0,0,1|2,0,0]=4 8300 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000220607_100000211926 [1,0,0,0,0,1|2,0,0]=4 8301 B11R0.182 CCOC(=O)CN(CC)COC 2230a_100000220607_100000766300 [1,0,0,0,0,1|2,0,0]=4 8302 B11R0.182 CCOC(=O)CN(CC)COC 269982a_100000220607_100000766300 [1,0,0,0,0,1|2,0,0]=4 8303 B11R0.182 CCOC(=O)CN(CC)CSC 2230a_100000220607_100011218213 [1,0,0,0,0,1|2,0,0]=4 8304 B11R0.182 CCOC(=O)CN(CC)CSC 269982a_100000220607_100011218213 [1,0,0,0,0,1|2,0,0]=4 8305 B11R0.182 CCOC(=O)C[C@@H](CCl)OCC 7a_100000688340_100000210202 [1,0,0,0,0,1|2,0,0]=4 8306 B13R0.305 C#CC(CCCC)OCC(=O)OCC 34a_200011217967_100000188475 [0,0,0,0,0,2|0,0,2]=4 8307 B13R0.305 C#CC(CCCC)OCC(=O)OCC 7a_200011217967_100000188475 [0,0,0,0,0,2|0,0,2]=4 8308 B13R0.305 C=CC(CCCC)OCC(=O)OCC 34a_200011215037_100000188475 [0,0,0,0,0,2|0,0,2]=4 8309 B13R0.305 C=CC(CCCC)OCC(=O)OCC 7a_200011215037_100000188475 [0,0,0,0,0,2|0,0,2]=4 8310 B13R0.305 C=COC(=O)COC(CC)CCCC 34a_100011215227_100000036128 [0,0,0,0,0,2|0,0,2]=4 8311 B13R0.305 C=COC(=O)CSC(CC)CCCC 62a_100000036128_200011216223 [0,0,0,0,0,2|0,0,2]=4 8312 B13R0.305 C=COC(=O)CSC(CC)CCCC 62a_200011216223_100000036128 [0,0,0,0,0,2|0,0,2]=4 8313 B13R0.305 CC=CC(=O)NCC(CC)CCCC 11a_100000209976_100000210699 [0,0,0,0,0,2|1,0,1]=4 8314 B13R0.305 CC=CC(=O)NCC(CC)CCCC 1626a_100000209976_100000210699 [0,0,0,0,0,2|1,0,1]=4 8315 B13R0.305 CC=CC(=O)NCC(CC)CCCC 240690a_100000209976_100000210699 [0,0,0,0,0,2|1,0,1]=4 8316 B13R0.305 CCCCC(=NNC(=O)CCC)CC 4a_100000189770_100000753412 [0,0,0,0,0,2|1,0,1]=4 8317 B13R0.305 CCCCC(CC)CCC(=O)CCC 1458a_100011216959_100000210303 [0,0,0,0,0,2|1,0,0]=3 8318 B13R0.305 CCCCC(CC)CCC(=O)CCF 1458a_100011216959_100011217306 [0,0,0,0,0,2|2,0,0]=4 8319 B13R0.305 CCCCC(CC)CCC(=O)CCO 1458a_100011216959_100000211926 [0,0,0,0,0,2|2,0,0]=4 8320 B13R0.305 CCCCC(CC)CCC(=O)NCC 11a_100015525214_100011216959 [0,0,0,0,0,2|1,0,0]=3 8321 B13R0.305 CCCCC(CC)CCC(=O)NCC 240690a_100015525214_100011216959 [0,0,0,0,0,2|1,0,0]=3 8322 B13R0.305 CCCCC(CC)CCC(=O)NCC 527a_100015525214_100011216959 [0,0,0,0,0,2|1,0,0]=3 8323 B13R0.305 CCCCC(CC)CCC(=O)NNC 22a_100016993582_100011216959 [0,0,0,0,0,2|2,0,0]=4 8324 B13R0.305 CCCCC(CC)CNC(=O)CCC 11a_100000209976_100000211992 [0,0,0,0,0,2|1,0,0]=3 8325 B13R0.305 CCCCC(CC)CNC(=O)CCC 1626a_100000209976_100000211992 [0,0,0,0,0,2|1,0,0]=3 8326 B13R0.305 CCCCC(CC)CNC(=O)CCC 240690a_100000209976_100000211992 [0,0,0,0,0,2|1,0,0]=3 8327 B13R0.305 CCCCC(CC)CNC(=O)CCC 527a_100000209976_100000211992 [0,0,0,0,0,2|1,0,0]=3 8328 B13R0.305 CCCCC(CC)CNC(=O)CCO 240690a_100000209976_100011216618 [0,0,0,0,0,2|2,0,0]=4 8329 B13R0.305 CCCCC(CC)CNC(=O)COC 11a_100000209976_100000210968 [0,0,0,0,0,2|2,0,0]=4 8330 B13R0.305 CCCCC(CC)CNC(=O)COC 1626a_100000209976_100000210968 [0,0,0,0,0,2|2,0,0]=4 8331 B13R0.305 CCCCC(CC)CNC(=O)COC 240690a_100000209976_100000210968 [0,0,0,0,0,2|2,0,0]=4 8332 B13R0.305 CCCCC(CC)CNC(=O)COC 527a_100000209976_100000210968 [0,0,0,0,0,2|2,0,0]=4 8333 B13R0.305 CCCCC(CC)CNC(=O)CSC 11a_100000209976_100000184570 [0,0,0,0,0,2|2,0,0]=4 8334 B13R0.305 CCCCC(CC)CNC(=O)CSC 1626a_100000209976_100000184570 [0,0,0,0,0,2|2,0,0]=4 8335 B13R0.305 CCCCC(CC)CNC(=O)CSC 240690a_100000209976_100000184570 [0,0,0,0,0,2|2,0,0]=4 8336 B13R0.305 CCCCC(CC)CNC(=O)CSC 527a_100000209976_100000184570 [0,0,0,0,0,2|2,0,0]=4 8337 B13R0.305 CCCCC(CC)CNC(=O)NCC 2708a_100000209976_100015525214 [0,0,0,0,0,2|1,0,0]=3 8338 B13R0.305 CCCCC(CC)CNC(=O)NCC 2708a_100015525214_100000209976 [0,0,0,0,0,2|1,0,0]=3 8339 B13R0.305 CCCCC(CC)CNC(=O)NCC 273464a_100000209976_100015525214 [0,0,0,0,0,2|1,0,0]=3 8340 B13R0.305 CCCCC(CC)CNC(=O)NCC 273464a_100015525214_100000209976 [0,0,0,0,0,2|1,0,0]=3 8341 B13R0.305 CCCCC(CC)CNC(=O)NCC 512a_100000209976_100015525214 [0,0,0,0,0,2|1,0,0]=3 8342 B13R0.305 CCCCC(CC)CNC(=O)NCC 512a_100015525214_100000209976 [0,0,0,0,0,2|1,0,0]=3 8343 B13R0.305 CCCCC(CC)CNC(=O)NNC 273464a_100000209976_100016993582 [0,0,0,0,0,2|2,0,0]=4 8344 B13R0.305 CCCCC(CC)CNC(=O)NNC 512a_100000209976_100016993582 [0,0,0,0,0,2|2,0,0]=4 8345 B13R0.305 CCCCC(CC)CNC(=O)NNC 512a_100016993582_100000209976 [0,0,0,0,0,2|2,0,0]=4 8346 B13R0.305 CCCCC(CC)NCC(=O)NCC 270004a_100016988866_100000753412 [0,0,0,0,0,2|1,0,0]=3 8347 B13R0.305 CCCCC(CC)OCC(=O)CCC 7a_100011215227_100000747444 [0,0,0,0,0,2|1,0,0]=3 8348 B13R0.305 CCCCC(CC)OCC(=O)NCC 34a_100011215227_100000183381 [0,0,0,0,0,2|1,0,0]=3 8349 B13R0.305 CCCCC(CC)OCC(=O)NCC 7a_100011215227_100000183381 [0,0,0,0,0,2|1,0,0]=3 8350 B13R0.305 CCCCC(CC)OCC(=O)NCO 34a_100011215227_100000185155 [0,0,0,0,0,2|2,0,0]=4 8351 B13R0.305 CCCCC(CC)OCC(=O)NCO 7a_100011215227_100000185155 [0,0,0,0,0,2|2,0,0]=4 8352 B13R0.305 CCCCC(CC)OCC(=O)OCC 34a_100011215227_100000188475 [0,0,0,0,0,2|0,0,0]=2 8353 B13R0.305 CCCCC(CC)OCC(=O)OCC 7a_100011215227_100000188475 [0,0,0,0,0,2|0,0,0]=2 8354 B13R0.305 CCCCC(CC)SCC(=O)CCC 62a_100000747444_200011216223 [0,0,0,0,0,2|1,0,0]=3 8355 B13R0.305 CCCCC(CC)SCC(=O)CCC 62a_200011216223_100000747444 [0,0,0,0,0,2|1,0,0]=3 8356 B13R0.305 CCCCC(CC)SCC(=O)NCC 62a_100000183381_200011216223 [0,0,0,0,0,2|1,0,0]=3 8357 B13R0.305 CCCCC(CC)SCC(=O)NCC 62a_200011216223_100000183381 [0,0,0,0,0,2|1,0,0]=3 8358 B13R0.305 CCCCC(CC)SCC(=O)NCO 62a_100000185155_200011216223 [0,0,0,0,0,2|2,0,0]=4 8359 B13R0.305 CCCCC(CC)SCC(=O)NCO 62a_200011216223_100000185155 [0,0,0,0,0,2|2,0,0]=4 8360 B13R0.305 CCCCC(CC)SCC(=O)OCC 62a_100000188475_200011216223 [0,0,0,0,0,2|0,0,0]=2 8361 B13R0.305 CCCCC(CC)SCC(=O)OCC 62a_200011216223_100000188475 [0,0,0,0,0,2|0,0,0]=2 8362 B13R0.305 CCCCN(CC)CCC(=O)NCC 2230a_100000207695_100000737597 [0,0,0,0,0,2|2,0,0]=4 8363 B13R0.305 CCCCN(CC)CCC(=O)NCC 269982a_100000207695_100000737597 [0,0,0,0,0,2|2,0,0]=4 8364 B13R0.305 CCCCN(CC)CCC(=O)OCC 2230a_100000207695_100011206558 [0,0,0,0,0,2|1,0,0]=3 8365 B13R0.305 CCCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210211 [0,0,0,0,0,2|1,0,0]=3 8366 B13R0.305 CCCCN(CC)CCC(=O)OCC 269982a_100000207695_100011206558 [0,0,0,0,0,2|1,0,0]=3 8367 B13R0.305 CCCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210211 [0,0,0,0,0,2|1,0,0]=3 8368 B13R0.305 CCCCN(CC)COC(=O)CCC 2230a_100000207695_100000034017 [0,0,0,0,0,2|2,0,0]=4 8369 B13R0.305 CCCCN(CC)COC(=O)CCC 269982a_100000207695_100000034017 [0,0,0,0,0,2|2,0,0]=4 8370 B13R0.305 CCCC[C@@H](CO)NCC(=O)CCC 2230a_100011934283_100000747444 [0,0,0,0,0,2|2,0,0]=4 8371 B13R0.305 CCCC[C@@H](CO)NCC(=O)NCC 2230a_100011934283_100000183381 [0,0,0,0,0,2|2,0,0]=4 8372 B13R0.305 CCCC[C@@H](CO)NCC(=O)NCC 34a_100011934283_100000183381 [0,0,0,0,0,2|2,0,0]=4 8373 B13R0.305 CCCC[C@@H](CO)NCC(=O)OCC 2230a_100011934283_100000188475 [0,0,0,0,0,2|1,0,0]=3 8374 B13R0.305 CCCC[C@@H](CO)NCC(=O)OCC 34a_100011934283_100000188475 [0,0,0,0,0,2|1,0,0]=3 8375 B13R0.305 CCOC(=O)CCN(CC)CCCF 2230a_200011277716_100011934791 [0,0,0,0,0,2|2,0,0]=4 8376 B13R0.305 CCOC(=O)CCN(CC)CCCF 269982a_200011277716_100011934791 [0,0,0,0,0,2|2,0,0]=4 8377 B13R0.305 CCOC(=O)CCN(CC)CCCO 2230a_200011277716_100000230001 [0,0,0,0,0,2|2,0,0]=4 8378 B13R0.305 CCOC(=O)CCN(CC)CCCO 269982a_200011277716_100011215043 [0,0,0,0,0,2|2,0,0]=4 8379 B13R0.305 CCOC(=O)CCN(CC)CCOC 2230a_100000731262_100011206558 [0,0,0,0,0,2|2,0,0]=4 8380 B13R0.305 CCOC(=O)CCN(CC)CCOC 2230a_200011277716_100011201679 [0,0,0,0,0,2|2,0,0]=4 8381 B13R0.305 CCOC(=O)CCN(CC)CCOC 269982a_100000731262_100011206558 [0,0,0,0,0,2|2,0,0]=4 8382 B13R0.305 CCOC(=O)CCN(CC)CCOC 269982a_200011277716_100000233755 [0,0,0,0,0,2|2,0,0]=4 8383 B13R0.305 CCOC(=O)CCN(CC)CCSC 2230a_200011277716_100000751147 [0,0,0,0,0,2|2,0,0]=4 8384 B13R0.305 CCOC(=O)CCN(CC)CCSC 269982a_200011277716_100000212216 [0,0,0,0,0,2|2,0,0]=4 8385 B13R0.305 CCOC(=O)CN[C@H](CO)CCSC 2230a_100011827619_100000188475 [0,0,0,0,0,2|2,0,0]=4 8386 B13R0.305 CCOCC(CN)OCC(=O)OCC 34a_102515437182_100000188475 [0,0,0,0,0,2|2,0,0]=4 8387 B13R0.305 CCOCN(CC)CCC(=O)OCC 269982a_200011277716_100000739092 [0,0,0,0,0,2|2,0,0]=4