0 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,0,0,0,0,0|4,0,0]=4 36 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,0,0,0,0,0|1,0,2]=3 37 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,0,0,0,0,0|1,0,2]=3 38 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,0,0,0,0,0|1,0,2]=3 39 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,0,0,0,0,0|1,0,2]=3 43 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,0,0,0,0,0|2,0,1]=3 50 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,0,0,0,0,0|2,0,0]=2 53 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,0,0,0,0,0|2,0,0]=2 56 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,0,0,0,0,0|3,0,0]=3 57 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,0,0,0,0,0|3,0,0]=3 66 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,0,0,0,0,0|3,0,0]=3 67 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,0,0,0,0,0|2,0,1]=3 73 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,0,0,0,0,0|2,0,1]=3 74 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,0,0,0,0,0|2,0,1]=3 75 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,0,0,0,0|1,0,2]=3 79 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,0,0,0,0|1,0,2]=3 80 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,0,0,0,0|1,0,2]=3 81 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,0,0,0,0,0|1,0,2]=3 83 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,0,0,0,0,0|1,0,2]=3 84 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,0,0,0,0,0|1,0,2]=3 85 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,0,0,0,0,0|1,0,2]=3 86 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,0,0,0,0,0|1,0,0]=1 87 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,0,0,0,0,0|1,0,0]=1 88 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,0,0,0,0,0|1,0,0]=1 89 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,0,0,0,0,0|3,0,0]=3 90 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,0,0,0,0,0|3,0,0]=3 91 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,0,0,0,0,0|3,0,0]=3 92 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,0,0,0,0,0|2,0,0]=2 96 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,0,0,0,0,0|2,0,0]=2 97 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,0,0,0,0,0|2,0,0]=2 98 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,0,0,0,0,0|2,0,0]=2 99 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,0,0,0,0,0|3,0,1]=4 100 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,0,0,0,0,0|3,0,1]=4 101 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,0,0,0,0,0|3,0,1]=4 102 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,0,0,0,0,0|3,0,1]=4 103 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,0,0,0,0,0|3,0,1]=4 104 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,0,0,0,0,0|3,0,1]=4 105 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,0,0,0,0,0|2,0,0]=2 106 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,0,0,0,0,0|2,0,0]=2 107 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,0,0,0,0,0|1,0,0]=1 108 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,0,0,0,0,0|3,0,1]=4 109 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,0,0,0,0,0|2,0,1]=3 113 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,0,0,0,0,0|2,0,1]=3 114 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,0,0,0,0,0|2,0,1]=3 115 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [0,0,0,0,0,0|3,0,1]=4 117 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,0,0,0,0,0|2,0,1]=3 118 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,0,0,0,0,0|3,0,0]=3 119 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,0,0,0,0,0|2,0,0]=2 120 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,0,0,0,0,0|2,0,0]=2 121 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,0,0,0,0,0|2,0,0]=2 122 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,0,0,0,0,0|2,0,0]=2 123 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,0,0,0,0,0|1,0,1]=2 124 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,0,0,0,0,0|3,0,1]=4 125 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,0,0,0,0,0|3,0,1]=4 126 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,0,0,0,0,0|3,0,1]=4 127 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,0,0,0,0,0|3,0,1]=4 128 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,0,0,0,0,0|2,0,1]=3 129 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,0,0,0,0,0|3,0,1]=4 130 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,0,0,0,0,0|3,0,1]=4 131 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,0,0,0,0,0|4,0,0]=4 132 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,0,0,0,0,0|3,0,1]=4 133 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,0,0,0,0,0|3,0,1]=4 134 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,0,0,0,0,0|2,0,1]=3 135 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,0,0,0,0,0|2,0,1]=3 136 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,0,0,0,0,0|2,0,0]=2 137 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,0,0,0,0,0|2,0,0]=2 138 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,0,0,0,0,0|2,0,0]=2 139 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,0,0,0,0,0|2,0,0]=2 140 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,0,0,0,0,0|1,0,1]=2 141 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,0,0,0,0,0|1,0,1]=2 142 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,0,0,0,0,0|3,0,1]=4 143 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,0,0,0,0,0|3,0,1]=4 144 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,0,0,0,0,0|2,0,1]=3 145 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,0,0,0,0,0|2,0,1]=3 146 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,0,0,0,0,0|3,0,1]=4 147 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,0,0,0,0,0|3,0,1]=4 148 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,0,0,0,0,0|2,0,1]=3 149 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,0,0,0,0,0|2,0,1]=3 150 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,0,0,0,0,0|2,0,1]=3 151 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,0,0,0,0,0|4,0,0]=4 152 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,0,0,0,0,0|4,0,0]=4 153 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,0,0,0,0,0|4,0,0]=4 154 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,0,0,0,0,0|4,0,0]=4 155 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,0,0,0,0,0|4,0,0]=4 156 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,0,0,0,0,0|4,0,0]=4 157 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,0,0,0,0,0|4,0,0]=4 158 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,0,0,0,0,0|4,0,0]=4 159 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,0,0,0,0,0|4,0,0]=4 160 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,0,0,0,0,0|3,0,1]=4 161 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,0,0,0,0,0|3,0,1]=4 162 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,0,0,0,0,0|3,0,1]=4 163 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,0,0,0,0,0|2,0,0]=2 165 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,0,0,0,0,0|2,0,0]=2 166 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,0,0,0,0,0|2,0,0]=2 167 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,0,0,0,0,0|2,0,0]=2 168 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,0,0,0,0,0|3,0,1]=4 169 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,0,0,0,0,0|3,0,1]=4 170 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,0,0,0,0,0|3,0,1]=4 171 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,0,0,0,0,0|3,0,1]=4 172 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,0,0,0,0,0|2,0,1]=3 173 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,0,0,0,0,0|2,0,1]=3 174 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,0,0,0,0,0|2,0,1]=3 175 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,0,0,0,0,0|2,0,1]=3 176 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,0,0,0,0,0|4,0,0]=4 177 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,0,0,0,0,0|3,0,0]=3 178 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,0,0,0,0,0|2,0,0]=2 179 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,0,0,0,0,0|2,0,2]=4 180 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,0,0,0,0,0|2,0,2]=4 181 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,0,0,0,0,0|3,0,1]=4 182 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,0,0,0,0,0|3,0,1]=4 183 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,0,0,0,0,0|2,0,0]=2 184 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,0,0,0,0,0|2,0,0]=2 185 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,0,0,0,0,0|2,0,0]=2 186 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,0,0,0,0,0|2,0,0]=2 187 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,0,0,0,0,0|2,0,0]=2 188 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,0,0,0,0,0|2,0,0]=2 189 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,0,0,0,0,0|2,0,0]=2 190 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,0,0,0,0,0|2,0,0]=2 191 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,0,0,0,0,0|3,0,1]=4 192 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,0,0,0,0,0|3,0,1]=4 193 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,0,0,0,0,0|3,0,1]=4 194 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,0,0,0,0,0|3,0,1]=4 195 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,0,0,0,0,0|2,0,1]=3 196 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,0,0,0,0,0|3,0,1]=4 197 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,0,0,0,0,0|4,0,0]=4 198 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,0,0,0,0,0|4,0,0]=4 199 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,0,0,0,0,0|4,0,0]=4 200 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,0,0,0,0,0|4,0,0]=4 201 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,0,0,0,0,0|4,0,0]=4 202 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,0,0,0,0,0|4,0,0]=4 203 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,0,0,0,0,0|3,0,1]=4 204 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,0,0,0,0,0|3,0,0]=3 205 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,0,0,0,0,0|3,0,1]=4 206 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,0,0,0,0,0|3,0,1]=4 207 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,0,0,0,0,0|2,0,0]=2 208 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,0,0,0,0,0|2,0,0]=2 209 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,0,0,0,0,0|2,0,0]=2 210 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,0,0,0,0,0|2,0,0]=2 211 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,0,0,0,0,0|2,0,0]=2 212 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,0,0,0,0,0|2,0,0]=2 213 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,0,0,0,0,0|2,0,0]=2 214 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,0,0,0,0,0|3,0,1]=4 215 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,0,0,0,0,0|3,0,1]=4 216 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,0,0,0,0,0|2,0,1]=3 217 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,0,0,0,0,0|2,0,1]=3 218 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,0,0,0,0,0|4,0,0]=4 219 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,0,0,0,0,0|4,0,0]=4 220 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,0,0,0,0,0|4,0,0]=4 221 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,0,0,0,0,0|4,0,0]=4 222 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,0,0,0,0,0|4,0,0]=4 223 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,0,0,0,0,0|4,0,0]=4 224 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,0,0,0,0,0|4,0,0]=4 225 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,0,0,0,0,0|3,0,0]=3 226 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,0,0,0,0,0|3,0,0]=3 227 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,0,0,0,0,0|3,0,1]=4 228 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,0,0,0,0,0|3,0,1]=4 229 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,0,0,0,0,0|3,0,1]=4 230 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,0,0,0,0,0|3,0,0]=3 231 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,0,0,0,0,0|3,0,0]=3 232 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,0,0,0,0,0|2,0,0]=2 233 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,0,0,0,0,0|2,0,1]=3 234 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,0,0,0,0,0|2,0,1]=3 235 B6R0.4 O=[N+]([O-])CSCF 62a_100015361967_100000761209 [0,0,0,0,0,0|3,0,1]=4 236 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,0,0,0,0,0|2,0,2]=4 237 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,0,0,0,0,0|2,0,1]=3 238 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,0,0,0,0,0|2,0,0]=2 239 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,0,0,0,0,0|2,0,0]=2 240 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,0,0,0,0,0|2,0,0]=2 241 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,0,0,0,0,0|3,0,1]=4 242 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,0,0,0,0,0|2,0,0]=2 243 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,0,0,0,0,0|2,0,0]=2 244 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|1,0,2]=4 245 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|1,0,2]=4 246 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|1,0,2]=4 247 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 248 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|3,0,0]=4 249 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 250 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|3,0,0]=4 251 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|3,0,0]=4 252 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|3,0,0]=4 253 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|3,0,0]=4 254 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|3,0,0]=4 255 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|3,0,0]=4 256 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|3,0,0]=4 257 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|3,0,0]=4 259 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|3,0,0]=4 260 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|3,0,0]=4 261 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|3,0,0]=4 262 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|3,0,0]=4 263 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|3,0,0]=4 264 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|3,0,0]=4 265 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|3,0,0]=4 266 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|3,0,0]=4 267 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,2]=4 268 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,2]=4 269 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,2]=4 270 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,2]=4 271 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,2]=4 272 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|2,0,1]=4 273 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|2,0,1]=4 274 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,0]=3 275 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,0]=3 276 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,0]=3 277 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,0]=3 278 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 280 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|2,0,1]=4 281 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,2]=4 283 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,2]=4 284 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,0]=2 285 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,0]=2 286 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,0]=2 287 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 288 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 289 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 290 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 291 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 292 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 293 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 294 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 295 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|2,0,0]=3 296 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,0]=3 297 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,0]=3 298 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,0]=3 299 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,0]=3 300 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|1,0,0]=2 301 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|1,0,1]=3 302 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|2,0,1]=4 307 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|2,0,1]=4 309 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|2,0,1]=4 310 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,0,0,0,0,0|2,0,1]=4 311 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|3,0,0]=4 312 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,0]=3 313 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,0]=3 314 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,0]=3 315 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,0]=3 316 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,0,1]=3 317 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,0]=3 321 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,0]=3 322 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,0]=3 323 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,0]=3 324 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,0,1]=3 325 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,0,1]=3 326 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|2,0,1]=4 328 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|2,0,1]=4 329 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|2,0,1]=4 330 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,0,0,0,0,0|2,0,1]=4 331 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|2,0,1]=4 332 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|2,0,1]=4 333 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|2,0,1]=4 334 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,0]=3 335 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,0]=3 336 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|1,0,0]=2 337 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,0]=3 338 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,0]=3 339 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,0,1]=3 340 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,0,1]=3 341 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,0,0,0,0,0|2,0,1]=4 343 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,0,0,0,0,0|2,0,1]=4 344 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,0,0,0,0,0|2,0,1]=4 345 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,0,0,0,0,0|2,0,1]=4 346 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,0,0,0,0,0|2,0,1]=4 347 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,0,0,0,0,0|2,0,1]=4 348 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,0,0,0,0,0|2,0,1]=4 349 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,0,0,0,0,0|2,0,1]=4 350 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,0,0,0,0,0|2,0,1]=4 351 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,0,0,0,0,0|2,0,1]=4 352 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,0,0,0,0,0|2,0,1]=4 353 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,0,0,0,0,0|2,0,1]=4 354 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|2,0,1]=4 355 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|2,0,1]=4 356 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|2,0,1]=4 357 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|2,0,1]=4 358 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,0,0,0,0,0|2,0,1]=4 359 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,1]=4 360 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,1]=4 361 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|2,0,1]=4 362 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|2,0,1]=4 363 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|2,0,1]=4 364 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|2,0,1]=4 365 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|2,0,1]=4 366 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|2,0,1]=4 367 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|2,0,1]=4 368 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|2,0,0]=3 369 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|2,0,0]=3 370 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|2,0,0]=3 371 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|2,0,0]=3 372 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|2,0,0]=3 373 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|2,0,0]=3 374 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|2,0,0]=3 375 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|2,0,0]=3 376 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|2,0,0]=3 377 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|2,0,0]=3 378 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|2,0,0]=3 379 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|2,0,0]=3 380 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|2,0,0]=3 381 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|2,0,0]=3 382 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|2,0,0]=3 383 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|2,0,0]=3 384 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,0,0,0,0,0|3,0,0]=4 385 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|2,0,0]=3 386 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|2,0,0]=3 387 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,0,0,0,0,0|3,0,0]=4 388 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,0,0,0,0,0|3,0,0]=4 389 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 390 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,1]=4 391 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 392 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|2,0,1]=4 393 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|2,0,1]=4 394 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|2,0,1]=4 395 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|2,0,1]=4 396 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|2,0,1]=4 397 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|3,0,0]=4 398 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|2,0,0]=3 399 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|2,0,0]=3 400 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|2,0,0]=3 401 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|2,0,0]=3 402 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|2,0,0]=3 403 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|2,0,0]=3 404 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|2,0,0]=3 405 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|2,0,0]=3 406 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|2,0,0]=3 407 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|2,0,0]=3 408 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|2,0,0]=3 409 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|2,0,0]=3 410 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|2,0,0]=3 411 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|2,0,0]=3 412 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|2,0,0]=3 413 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|2,0,0]=3 414 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|2,0,1]=4 415 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|2,0,1]=4 416 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|2,0,1]=4 417 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|2,0,1]=4 418 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|2,0,1]=4 419 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|2,0,1]=4 420 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|2,0,1]=4 421 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|2,0,1]=4 422 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|2,0,1]=4 423 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|1,0,0]=2 424 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|2,0,1]=4 425 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|2,0,1]=4 426 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|1,0,1]=3 427 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|1,0,1]=3 428 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|1,0,1]=3 429 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|3,0,0]=4 430 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|3,0,0]=4 431 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,0]=2 432 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|2,0,1]=4 433 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|2,0,1]=4 434 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,0,1]=4 435 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|1,0,1]=3 436 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|3,0,0]=4 437 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|3,0,0]=4 438 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|3,0,0]=4 439 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|3,0,0]=4 440 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|3,0,0]=4 441 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,0,0,0,0,0|2,0,1]=4 442 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,0,0,0,0,0|2,0,1]=4 443 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,0,0]=2 444 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,0,0]=2 445 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|2,0,1]=4 446 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|2,0,1]=4 447 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|1,0,1]=3 448 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|1,0,1]=3 449 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|3,0,0]=4 450 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|3,0,0]=4 451 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|3,0,0]=4 452 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|3,0,0]=4 453 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,0,0,0,0,0|2,0,1]=4 454 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,0,0,0,0,0|2,0,1]=4 455 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|2,0,1]=4 456 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|2,0,1]=4 457 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|2,0,1]=4 458 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|2,0,1]=4 459 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|2,0,1]=4 460 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|1,0,1]=3 461 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|1,0,1]=3 462 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|1,0,1]=3 463 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,0,0,0,0|3,0,0]=4 464 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,0,0,0,0|3,0,0]=4 465 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,0,0,0,0|3,0,0]=4 466 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,0,0,0,0|3,0,0]=4 467 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,0,0,0,0|3,0,0]=4 468 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,0,0,0,0|3,0,0]=4 469 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,0,0,0,0|3,0,0]=4 470 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,0,0,0,0|3,0,0]=4 471 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|2,0,1]=4 472 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|2,0,1]=4 473 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|2,0,1]=4 474 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|2,0,1]=4 475 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|2,0,1]=4 476 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|1,0,1]=3 477 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,0,0,0,0|3,0,0]=4 478 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,0,0,0,0|3,0,0]=4 479 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,0,0,0,0|3,0,0]=4 480 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,0,0,0,0|3,0,0]=4 481 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,0,0,0,0|3,0,0]=4 482 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,0,0,0,0|3,0,0]=4 483 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,0,0,0,0|3,0,0]=4 484 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,0,0,0,0|3,0,0]=4 485 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,0,0,0,0|3,0,0]=4 486 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,0,0,0,0|3,0,0]=4 487 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,0,0,0,0|3,0,0]=4 488 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,0,0,0,0|3,0,0]=4 489 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,0,0,0,0,0|2,0,1]=4 490 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,0,0,0,0,0|2,0,1]=4 491 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|2,0,1]=4 492 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|2,0,1]=4 493 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|1,0,1]=3 494 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|1,0,1]=3 495 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,0,0,0,0|3,0,0]=4 496 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,0,0,0,0|3,0,0]=4 497 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,0,0,0,0|3,0,0]=4 498 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,0,0,0,0|3,0,0]=4 499 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,0,0,0,0|3,0,0]=4 500 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,0,0,0,0|3,0,0]=4 501 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,0,0,0,0|3,0,0]=4 502 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|2,0,0]=3 503 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|2,0,0]=3 504 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,0,0,0,0|2,0,1]=4 505 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,0,0,0,0,0|2,0,1]=4 506 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,0,0,0,0,0|2,0,1]=4 507 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|2,0,1]=4 508 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|2,0,1]=4 509 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|2,0,1]=4 510 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|2,0,1]=4 511 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|2,0,1]=4 512 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|2,0,1]=4 513 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,0,0,0,0|3,0,0]=4 514 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,0,0,0,0,0|2,0,1]=4 515 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,0,0,0,0,0|2,0,1]=4 516 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|2,0,1]=4 517 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|2,0,1]=4 518 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|1,0,1]=3 519 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|1,0,1]=3 520 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,0|2,0,1]=4 521 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,1,0,0,0,0|3,0,0]=4 522 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,1,0,0,0,0|3,0,0]=4 523 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,1,0,0,0,0|3,0,0]=4 524 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,1,0,0,0,0|3,0,0]=4 525 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,1,0,0,0,0|3,0,0]=4 526 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,1,0,0,0,0|3,0,0]=4 527 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,1,0,0,0,0|3,0,0]=4 528 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,1,0,0,0,0|3,0,0]=4 529 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,0,0,0,0|2,0,1]=4 530 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,1,0,0,0,0|3,0,0]=4 531 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,1,0,0,0,0|1,0,2]=4 533 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,1,0,0,0,0|1,0,2]=4 534 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,0|2,0,0]=3 535 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,0,0,0,0|3,0,0]=4 536 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,0,0,0,0|3,0,0]=4 537 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,0,0,0,0|3,0,0]=4 538 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,0,0,0,0|3,0,0]=4 539 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,0,0,0,0|3,0,0]=4 540 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,0,0,0,0|3,0,0]=4 541 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,1,0,0,0,0|3,0,0]=4 542 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,1,0,0,0,0|3,0,0]=4 543 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,0,0,0,0|1,0,2]=4 544 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,0,0,0,0|1,0,2]=4 545 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|1,0,1]=3 546 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,0|1,0,1]=3 547 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,0|1,0,1]=3 548 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,0,0,0,0|0,0,2]=3 549 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,0|1,0,2]=4 550 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,0|1,0,2]=4 551 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,1,0,0,0,0|1,0,2]=4 552 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|1,0,0]=2 553 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|1,0,0]=2 554 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|1,0,0]=2 555 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,1,0,0,0,0|3,0,0]=4 556 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,1,0,0,0,0|3,0,0]=4 557 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,1,0,0,0,0|3,0,0]=4 558 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,1,0,0,0,0|3,0,0]=4 559 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,1,0,0,0,0|3,0,0]=4 560 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,1,0,0,0,0|3,0,0]=4 561 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,1,0,0,0,0|3,0,0]=4 562 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,0|2,0,0]=3 563 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,0|2,0,0]=3 564 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,0|2,0,0]=3 565 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,0|2,0,0]=3 566 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,0,0,0,0|1,0,0]=2 567 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,0,0,0,0|1,0,0]=2 568 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,0,0,0,0|1,0,0]=2 569 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,1,0,0,0,0|3,0,0]=4 570 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,1,0,0,0,0|3,0,0]=4 571 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,0,0,0,0|2,0,0]=3 572 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,1,0,0,0,0|2,0,0]=3 573 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,1,0,0,0,0|2,0,0]=3 574 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,1,0,0,0,0|2,0,0]=3 575 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,1,0,0,0,0|1,0,0]=2 576 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,1,0,0,0,0|1,0,0]=2 577 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,0,0,0,0|2,0,0]=3 578 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,1,0,0,0,0|1,0,1]=3 579 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,0,0,0,0|2,0,1]=4 580 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,0,0,0,0|2,0,1]=4 581 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,0,0,0,0|2,0,1]=4 583 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,0,0,0,0|2,0,1]=4 584 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,0,0,0,0|2,0,1]=4 586 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,0,0,0,0|2,0,1]=4 587 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,1,0,0,0,0|2,0,1]=4 588 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,1,0,0,0,0|1,0,0]=2 589 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|1,0,0]=2 592 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,1,0,0,0,0|3,0,0]=4 593 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,1,0,0,0,0|3,0,0]=4 594 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,1,0,0,0,0|2,0,0]=3 595 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,0|2,0,1]=4 597 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 599 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,0|2,0,1]=4 600 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,0|2,0,1]=4 601 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,0|2,0,1]=4 602 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,1,0,0,0,0|3,0,0]=4 603 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,1,0,0,0,0|3,0,0]=4 604 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,1,0,0,0,0|2,0,1]=4 605 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,1,0,0,0,0|2,0,1]=4 606 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,1,0,0,0,0|1,0,2]=4 607 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,1,0,0,0,0|2,0,1]=4 608 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,1,0,0,0,0|1,0,2]=4 609 B7R0.3 C#CC(=O)CC#CC 1458a_100000211873_100000748600 [0,1,0,0,0,0|1,0,2]=4 610 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,1,0,0,0,0|1,0,2]=4 611 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,1,0,0,0,0|2,0,1]=4 612 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,1,0,0,0,0|1,0,2]=4 613 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,1,0,0,0,0|1,0,0]=2 614 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,1,0,0,0,0|2,0,0]=3 615 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,1,0,0,0,0|2,0,0]=3 616 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,1,0,0,0,0|2,0,0]=3 617 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,1,0,0,0,0|2,0,0]=3 618 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,1,0,0,0,0|1,0,2]=4 619 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,1,0,0,0,0|1,0,2]=4 620 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,0,0,0,0|1,0,2]=4 621 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,0,0,0,0|1,0,2]=4 622 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,1,0,0,0,0|1,0,2]=4 623 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,1,0,0,0,0|0,0,2]=3 624 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,1,0,0,0,0|1,0,2]=4 625 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,1,0,0,0,0|1,0,2]=4 626 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,1,0,0,0,0|1,0,2]=4 627 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,1,0,0,0,0|1,0,2]=4 628 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,1,0,0,0,0|1,0,2]=4 629 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,1,0,0,0,0|1,0,2]=4 630 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,0,0,0,0|1,0,2]=4 631 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,1,0,0,0,0|0,0,2]=3 632 B7R0.3 C=C(C#N)CNCC 2230a_100015525214_100000694840 [0,1,0,0,0,0|3,0,0]=4 633 B7R0.3 C=C(C#N)COCC 34a_100121572206_100000694840 [0,1,0,0,0,0|3,0,0]=4 634 B7R0.3 C=C(C#N)CSCC 62a_100000210202_100000694840 [0,1,0,0,0,0|3,0,0]=4 635 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,1,0,0,0,0|1,0,2]=4 636 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [0,1,0,0,0,0|1,0,2]=4 637 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,1,0,0,0,0|1,0,2]=4 638 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,1,0,0,0,0|2,0,1]=4 639 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|1,0,0]=2 640 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,1,0,0,0,0|2,0,0]=3 641 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,0,0,0,0|2,0,0]=3 642 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,0,0,0,0|2,0,0]=3 643 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,0,0,0,0|2,0,0]=3 644 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,1,0,0,0,0|2,0,0]=3 645 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,1,0,0,0,0|2,0,0]=3 646 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,1,0,0,0,0|3,0,0]=4 647 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,1,0,0,0,0|3,0,0]=4 648 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,1,0,0,0,0|3,0,0]=4 649 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,1,0,0,0,0|3,0,0]=4 650 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,1,0,0,0,0|2,0,1]=4 651 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,1,0,0,0,0|2,0,1]=4 652 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,1,0,0,0,0|2,0,1]=4 653 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,1,0,0,0,0|2,0,1]=4 654 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,1,0,0,0,0|1,0,2]=4 655 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|1,0,2]=4 656 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|1,0,2]=4 657 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,1,0,0,0,0|1,0,2]=4 658 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,1,0,0,0,0|0,0,2]=3 659 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,0,0,0,0|1,0,2]=4 660 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,0,0,0,0|1,0,2]=4 661 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,0,0,0,0|1,0,2]=4 662 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,0,0,0,0|1,0,2]=4 663 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,1,0,0,0,0|1,0,2]=4 664 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,1,0,0,0,0|1,0,2]=4 665 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,1,0,0,0,0|1,0,2]=4 666 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,1,0,0,0,0|0,0,2]=3 667 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,0,0,0,0|2,0,1]=4 668 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,0,0,0,0|2,0,1]=4 669 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,1,0,0,0,0|2,0,1]=4 670 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|2,0,1]=4 671 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,0,0,0,0|1,0,2]=4 672 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,0,0,0,0|1,0,2]=4 673 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,1,0,0,0,0|1,0,2]=4 674 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,1,0,0,0,0|0,0,2]=3 675 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,1,0,0,0,0|1,0,2]=4 676 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,1,0,0,0,0|1,0,2]=4 677 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,1,0,0,0,0|1,0,2]=4 678 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,1,0,0,0,0|1,0,2]=4 679 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,0,0,0,0|1,0,2]=4 680 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,1,0,0,0,0|1,0,2]=4 681 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,0,0,0,0|2,0,1]=4 682 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,0,0,0,0|2,0,1]=4 683 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|2,0,0]=3 684 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|2,0,0]=3 685 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|2,0,0]=3 686 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|2,0,0]=3 687 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|2,0,0]=3 688 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|2,0,0]=3 689 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,0,0,0,0|3,0,0]=4 690 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,0,0,0,0|3,0,0]=4 691 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,0,0,0,0|3,0,0]=4 692 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|3,0,0]=4 693 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|3,0,0]=4 694 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|3,0,0]=4 695 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|3,0,0]=4 696 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|3,0,0]=4 697 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|3,0,0]=4 698 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,0,0,0,0|1,0,2]=4 699 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,0,0,0,0|1,0,2]=4 700 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,0,0,0,0|1,0,2]=4 701 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,0,0,0,0|1,0,2]=4 702 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,0,0,0,0|1,0,2]=4 703 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|1,0,0]=2 704 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|1,0,0]=2 705 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|1,0,0]=2 706 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|0,0,0]=1 707 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|1,0,0]=2 708 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|1,0,0]=2 709 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|1,0,0]=2 710 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|1,0,0]=2 711 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,0,0,0,0|2,0,1]=4 712 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,0,0,0,0|2,0,1]=4 713 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,0,0,0,0|2,0,1]=4 715 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,0,0,0,0|2,0,1]=4 716 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,0,0,0,0|2,0,1]=4 717 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|1,0,1]=3 718 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|1,0,1]=3 719 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|1,0,1]=3 720 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|1,0,1]=3 721 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|1,0,1]=3 722 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,0,0,0,0|1,1,1]=4 723 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,0,0,0,0|1,1,1]=4 724 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,0,0,0,0|1,1,1]=4 725 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,0,0,0,0|1,1,1]=4 726 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,1,0,0,0,0|3,0,0]=4 727 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,1,0,0,0,0|3,0,0]=4 728 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,1,0,0,0,0|3,0,0]=4 729 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,1,0,0,0,0|3,0,0]=4 730 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,1,0,0,0,0|3,0,0]=4 731 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,1,0,0,0,0|3,0,0]=4 733 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,1,0,0,0,0|3,0,0]=4 734 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,1,0,0,0,0|3,0,0]=4 735 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|2,0,0]=3 736 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|2,0,0]=3 737 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|2,0,0]=3 738 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|2,0,0]=3 739 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|1,0,0]=2 740 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|1,0,0]=2 741 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,0,0,0,0|2,0,0]=3 742 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,0,0,0,0|2,0,0]=3 743 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,0,0,0,0|2,0,0]=3 744 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,0,0,0,0|2,0,0]=3 745 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,0,0,0,0|2,0,0]=3 746 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,0,0,0,0|2,0,0]=3 747 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,1,0,0,0,0|2,0,1]=4 748 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,0,0,0,0|2,0,1]=4 749 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,1,0,0,0,0|2,0,1]=4 750 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,1,0,0,0,0|2,0,1]=4 751 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,1,0,0,0,0|2,0,1]=4 752 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,1,0,0,0,0|2,0,1]=4 753 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,1,0,0,0,0|2,0,1]=4 754 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,0,0,0,0|2,0,0]=3 755 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,0,0,0,0|2,0,0]=3 756 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,0,0,0,0|1,0,0]=2 757 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,1,0,0,0,0|2,0,1]=4 758 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,0,0,0,0|2,0,1]=4 759 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,0,0,0,0|2,0,1]=4 760 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,1,0,0,0,0|1,0,2]=4 761 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,1,0,0,0,0|2,0,1]=4 762 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,1,0,0,0,0|2,0,1]=4 763 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,1,0,0,0,0|2,0,1]=4 764 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,1,0,0,0,0|2,0,1]=4 765 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,1,0,0,0,0|1,0,2]=4 766 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,1,0,0,0,0|1,0,2]=4 767 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,1,0,0,0,0|3,0,0]=4 768 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,0,0,0,0|3,0,0]=4 769 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,0,0,0,0|2,0,0]=3 770 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,1,0,0,0,0|3,0,0]=4 771 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,1,0,0,0,0|3,0,0]=4 772 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,1,0,0,0,0|3,0,0]=4 773 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,0,0,0,0|2,0,0]=3 774 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,0,0,0,0|2,0,0]=3 775 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,0,0,0,0|2,0,0]=3 776 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,0,0,0,0|2,0,0]=3 777 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,0,0,0,0|2,0,0]=3 778 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,0,0,0,0|2,0,0]=3 779 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,0,0,0,0|2,0,0]=3 780 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,0,0,0,0|2,0,0]=3 781 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,0,0,0,0|2,0,0]=3 782 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,0,0,0,0|1,0,0]=2 783 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,0,0,0,0|2,0,1]=4 784 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,0,0,0,0|2,0,1]=4 785 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,0,0,0,0|2,0,1]=4 786 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,0,0,0,0|2,0,1]=4 787 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,0,0,0,0|2,0,1]=4 788 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,0,0,0,0|2,0,1]=4 789 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,1,0,0,0,0|1,0,2]=4 790 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,1,0,0,0,0|2,0,1]=4 791 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,1,0,0,0,0|2,0,1]=4 792 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,1,0,0,0,0|1,0,2]=4 793 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,0,0,0,0|2,0,0]=3 794 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,0,0,0,0|2,0,0]=3 795 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,0,0,0,0|2,0,0]=3 796 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,0,0,0,0|2,0,0]=3 797 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,0,0,0,0|2,0,0]=3 798 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,0,0,0,0|2,0,0]=3 799 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,0,0,0,0|2,0,0]=3 800 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,0,0,0,0|2,0,0]=3 801 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,0,0,0,0|2,0,0]=3 802 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,0,0,0,0|2,0,0]=3 803 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,0,0,0,0|1,0,0]=2 804 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,0,0,0,0|1,0,0]=2 805 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,0,0,0,0|2,0,1]=4 806 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,0,0,0,0|2,0,1]=4 807 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,1,0,0,0,0|1,0,2]=4 808 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,1,0,0,0,0|1,0,2]=4 809 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,1,0,0,0,0|2,0,1]=4 810 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,1,0,0,0,0|2,0,1]=4 811 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,1,0,0,0,0|2,0,1]=4 812 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,1,0,0,0,0|2,0,1]=4 813 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,1,0,0,0,0|1,0,2]=4 814 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,1,0,0,0,0|1,0,2]=4 815 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,1,0,0,0,0|2,0,1]=4 816 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 817 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 818 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,1,0,0,0,0|2,0,1]=4 819 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,0,0,0,0|2,0,0]=3 820 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,0,0,0,0|2,0,0]=3 821 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,0,0,0,0|2,0,0]=3 822 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,0,0,0,0|2,0,0]=3 823 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,0,0,0,0|2,0,0]=3 824 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,0,0,0,0|2,0,0]=3 825 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,0,0,0,0|2,0,0]=3 826 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,0,0,0,0|2,0,0]=3 827 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,0,0,0,0|2,0,0]=3 828 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|2,0,0]=3 829 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|2,0,0]=3 830 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|2,0,0]=3 831 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|2,0,0]=3 832 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|2,0,0]=3 833 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|2,0,0]=3 834 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|2,0,0]=3 835 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|2,0,0]=3 836 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,0,0,0,0|3,0,0]=4 837 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,1,0,0,0,0|3,0,0]=4 838 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,1,0,0,0,0|3,0,0]=4 839 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,0,0,0,0|3,0,0]=4 840 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,0,0,0,0|3,0,0]=4 841 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,0,0,0,0|3,0,0]=4 842 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,0,0,0,0|3,0,0]=4 843 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,0,0,0,0|3,0,0]=4 844 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,0,0,0,0|3,0,0]=4 845 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,0,0,0,0|3,0,0]=4 846 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,0,0,0,0|3,0,0]=4 847 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,0,0,0,0|2,0,0]=3 848 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,0,0,0,0|2,0,0]=3 849 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,0,0,0,0|2,0,0]=3 850 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,0,0,0,0|2,0,0]=3 851 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,0,0,0,0|2,0,0]=3 852 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,0,0,0,0|1,0,0]=2 853 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,0,0,0,0|1,0,0]=2 854 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,0,0,0,0|1,0,0]=2 855 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,1,0,0,0,0|2,0,1]=4 856 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,1,0,0,0,0|2,0,1]=4 857 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|1,0,0]=2 858 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|1,0,0]=2 859 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|1,0,0]=2 860 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|1,0,0]=2 861 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,1,0,0,0,0|2,0,0]=3 862 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,1,0,0,0,0|2,0,0]=3 863 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,0,0,0,0|2,0,0]=3 864 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,0,0,0,0|2,0,0]=3 865 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,0,0,0,0|2,0,1]=4 866 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,0,0,0,0|2,0,1]=4 867 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,0,0,0,0|2,0,1]=4 868 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,1,0,0,0,0|2,0,0]=3 869 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,0,0,0,0|2,0,0]=3 870 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,0,0,0,0|1,0,0]=2 871 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,0,0,0,0|1,0,0]=2 872 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,0,0,0,0|2,0,1]=4 873 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|2,0,0]=3 874 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|1,0,0]=2 875 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,1,0,0,0,0|2,0,1]=4 876 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,1,0,0,0,0|1,0,1]=3 877 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,1,0,0,0,0|2,0,1]=4 878 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|1,0,0]=2 879 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|1,0,0]=2 880 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|2,0,0]=3 881 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|2,0,0]=3 882 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|2,0,0]=3 883 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|2,0,0]=3 884 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,1,0,0,0,0|2,0,0]=3 885 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,1,0,0,0,0|1,0,1]=3 886 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,1,0,0,0,0|1,0,1]=3 887 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,1,0,0,0,0|1,0,1]=3 888 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,1,0,0,0,0|1,0,2]=4 889 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,1,0,0,0,0|1,0,2]=4 890 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,1,0,0,0,0|1,0,2]=4 891 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,1,0,0,0,0|1,0,2]=4 892 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,1,0,0,0,0|1,0,2]=4 893 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,1,0,0,0,0|1,0,2]=4 894 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,1,0,0,0,0|0,0,2]=3 895 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,1,0,0,0,0|0,0,3]=4 896 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,1,0,0,0,0|1,0,2]=4 897 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,1,0,0,0,0|1,0,2]=4 898 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,1,0,0,0,0|1,0,2]=4 899 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,1,0,0,0,0|1,0,2]=4 900 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,1,0,0,0,0|0,0,3]=4 901 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,1,0,0,0,0|1,0,2]=4 902 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,1,0,0,0,0|0,0,3]=4 903 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,1,0,0,0,0|2,0,0]=3 904 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,1,0,0,0,0|3,0,0]=4 905 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,0,0,0,0|2,0,0]=3 906 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,0,0,0,0|2,0,0]=3 907 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,0,0,0,0|2,0,0]=3 908 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,1,0,0,0,0|3,0,0]=4 909 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,0,0,0,0|2,0,0]=3 910 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,0,0,0,0|2,0,0]=3 911 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,1,0,0,0,0|3,0,0]=4 912 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,1,0,0,0,0|3,0,0]=4 913 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,1,0,0,0,0|3,0,0]=4 914 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,1,0,0,0,0|3,0,0]=4 915 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,1,0,0,0,0|3,0,0]=4 916 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,1,0,0,0,0|3,0,0]=4 917 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,0,0,0,0|2,0,0]=3 918 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,0,0,0,0|2,0,0]=3 919 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,1,0,0,0,0|3,0,0]=4 920 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,1,0,0,0,0|3,0,0]=4 921 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,1,0,0,0,0|3,0,0]=4 922 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,1,0,0,0,0|3,0,0]=4 923 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,0,0,0,0|2,0,0]=3 924 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,0,0,0,0|2,0,0]=3 925 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,1,0,0,0,0|3,0,0]=4 926 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,1,0,0,0,0|3,0,0]=4 927 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,1,0,0,0,0|3,0,0]=4 928 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,1,0,0,0,0|3,0,0]=4 929 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,1,0,0,0,0|3,0,0]=4 930 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,1,0,0,0,0|3,0,0]=4 931 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,1,0,0,0,0|3,0,0]=4 932 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,1,0,0,0,0|3,0,0]=4 933 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,1,0,0,0,0|3,0,0]=4 934 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,1,0,0,0,0|3,0,0]=4 935 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,1,0,0,0,0|3,0,0]=4 936 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [0,1,0,0,0,0|3,0,0]=4 937 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,1,0,0,0,0|2,0,0]=3 938 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,1,0,0,0,0|2,0,0]=3 939 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [0,1,0,0,0,0|3,0,0]=4 940 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,1,0,0,0,0|3,0,0]=4 941 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,1,0,0,0,0|3,0,0]=4 942 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,1,0,0,0,0|3,0,0]=4 943 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,1,0,0,0,0|2,0,0]=3 944 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,1,0,0,0,0|2,0,0]=3 945 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [0,1,0,0,0,0|3,0,0]=4 946 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [0,1,0,0,0,0|3,0,0]=4 947 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,1,0,0,0,0|3,0,0]=4 948 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,1,0,0,0,0|3,0,0]=4 949 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,1,0,0,0,0|3,0,0]=4 950 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,1,0,0,0,0|3,0,0]=4 951 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,1,0,0,0,0|3,0,0]=4 952 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,1,0,0,0,0|3,0,0]=4 953 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,0,0,0,0|1,0,1]=3 954 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,0,0,0,0|1,0,1]=3 955 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,0,0,0,0|1,0,1]=3 956 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,1,0,0,0,0|1,0,2]=4 957 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,1,0,0,0,0|1,0,2]=4 958 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,1,0,0,0,0|1,0,2]=4 959 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,1,0,0,0,0|1,0,2]=4 960 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,1,0,0,0,0|1,0,2]=4 961 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,1,0,0,0,0|1,0,2]=4 962 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,1,0,0,0,0|0,0,2]=3 963 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,1,0,0,0,0|1,0,2]=4 964 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,1,0,0,0,0|1,0,2]=4 965 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,1,0,0,0,0|0,0,3]=4 966 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,1,0,0,0,0|1,0,2]=4 967 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,1,0,0,0,0|1,0,2]=4 968 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,1,0,0,0,0|1,0,2]=4 969 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,1,0,0,0,0|1,0,2]=4 970 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,1,0,0,0,0|0,0,3]=4 971 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,1,0,0,0,0|0,0,3]=4 972 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,1,0,0,0,0|1,0,2]=4 973 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [0,1,0,0,0,0|1,0,2]=4 974 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [0,1,0,0,0,0|1,0,2]=4 975 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [0,1,0,0,0,0|1,0,2]=4 976 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,1,0,0,0,0|2,0,1]=4 977 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,1,0,0,0,0|2,0,1]=4 978 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,1,0,0,0,0|1,0,2]=4 979 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,1,0,0,0,0|1,0,1]=3 980 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,1,0,0,0,0|1,0,1]=3 981 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,0,0,0,0|1,0,0]=2 982 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,0,0,0,0|1,0,0]=2 983 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,0,0,0,0|1,0,0]=2 984 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,0,0,0,0|1,0,0]=2 985 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,0,0,0,0|1,0,0]=2 986 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,0,0,0,0|1,0,0]=2 987 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,0,0,0,0|1,0,0]=2 988 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,1,0,0,0,0|3,0,0]=4 989 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,0,0,0,0|2,0,0]=3 990 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,0,0,0,0|2,0,0]=3 991 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,0,0,0,0|2,0,0]=3 992 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,0,0,0,0|2,0,0]=3 993 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,0,0,0,0|2,0,1]=4 994 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,0,0,0,0|2,0,0]=3 995 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,0,0,0,0|2,0,0]=3 996 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,0,0,0,0|2,0,0]=3 997 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,1,0,0,0,0|2,0,1]=4 998 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,1,0,0,0,0|2,0,1]=4 999 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,1,0,0,0,0|2,0,1]=4 1000 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,1,0,0,0,0|2,0,1]=4 1001 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,1,0,0,0,0|2,0,1]=4 1002 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,1,0,0,0,0|2,0,0]=3 1003 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,1,0,0,0,0|2,0,0]=3 1004 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,1,0,0,0,0|2,0,0]=3 1005 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,1,0,0,0,0|2,0,0]=3 1006 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,1,0,0,0,0|2,0,0]=3 1007 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,1,0,0,0,0|2,0,0]=3 1008 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,1,0,0,0,0|2,0,0]=3 1009 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,1,0,0,0,0|2,0,0]=3 1010 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,1,0,0,0,0|2,0,0]=3 1011 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,1,0,0,0,0|2,0,0]=3 1012 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,1,0,0,0,0|3,0,0]=4 1013 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,1,0,0,0,0|2,0,0]=3 1014 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,1,0,0,0,0|2,0,0]=3 1015 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,1,0,0,0,0|3,0,0]=4 1016 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,1,0,0,0,0|3,0,0]=4 1017 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,1,0,0,0,0|2,0,1]=4 1018 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,1,0,0,0,0|2,0,1]=4 1019 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,1,0,0,0,0|2,0,1]=4 1020 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,1,0,0,0,0|2,0,1]=4 1021 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,1,0,0,0,0|2,0,1]=4 1022 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,1,0,0,0,0|2,0,1]=4 1023 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,0,0,0,0|1,0,1]=3 1024 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,0,0,0,0|1,0,1]=3 1025 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,1,0,0,0,0|2,0,1]=4 1026 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,1,0,0,0,0|2,0,1]=4 1027 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,1,0,0,0,0|2,0,1]=4 1028 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|2,0,1]=4 1029 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,1,0,0,0,0|2,0,1]=4 1030 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,1,0,0,0,0|2,0,1]=4 1031 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,1,0,0,0,0|2,0,1]=4 1032 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|2,0,1]=4 1033 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,1,0,0,0,0|2,0,1]=4 1034 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,1,0,0,0,0|2,0,1]=4 1035 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,1,0,0,0,0|2,0,1]=4 1036 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,1,0,0,0,0|2,0,1]=4 1037 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,1,0,0,0,0|2,0,1]=4 1038 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,1,0,0,0,0|2,0,1]=4 1039 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,1,0,0,0,0|2,0,1]=4 1040 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,0,0,0,0|1,0,1]=3 1041 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,0,0,0,0|1,0,1]=3 1042 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,0,0,0,0|1,0,1]=3 1043 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,1,0,0,0,0|1,0,1]=3 1044 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,1,0,0,0,0|2,0,1]=4 1045 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,1,0,0,0,0|1,0,1]=3 1046 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,1,0,0,0,0|1,0,1]=3 1047 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,1,0,0,0,0|1,0,1]=3 1048 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,1,0,0,0,0|1,0,1]=3 1049 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,0,0,0,0|1,0,0]=2 1050 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,0,0,0,0|1,0,0]=2 1051 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,0,0,0,0|1,0,0]=2 1052 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,1,0,0,0,0|3,0,0]=4 1053 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,1,0,0,0,0|3,0,0]=4 1054 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,1,0,0,0,0|3,0,0]=4 1055 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,1,0,0,0,0|3,0,0]=4 1056 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,1,0,0,0,0|3,0,0]=4 1057 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,1,0,0,0,0|3,0,0]=4 1058 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,0,0,0,0|1,0,0]=2 1059 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,0,0,0,0|1,0,0]=2 1060 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,0,0,0,0|1,0,0]=2 1061 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,0,0,0,0|1,0,0]=2 1062 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,1,0,0,0,0|2,0,1]=4 1063 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,1,0,0,0,0|2,0,1]=4 1064 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,1,0,0,0,0|2,0,1]=4 1065 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,1,0,0,0,0|2,0,1]=4 1066 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,1,0,0,0,0|2,0,1]=4 1067 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,1,0,0,0,0|2,0,1]=4 1068 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,1,0,0,0,0|2,0,1]=4 1069 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,1,0,0,0,0|2,0,1]=4 1070 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,1,0,0,0,0|2,0,1]=4 1071 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,0,0,0,0|1,0,0]=2 1072 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,0,0,0,0|0,0,0]=1 1073 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,1,0,0,0,0|2,0,1]=4 1074 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,1,0,0,0,0|2,0,1]=4 1075 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,1,0,0,0,0|2,0,1]=4 1076 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,0,0,0,0|1,0,1]=3 1077 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,0,0,0,0|1,0,1]=3 1078 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,1,0,0,0,0|2,0,1]=4 1079 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,1,0,0,0,0|2,0,0]=3 1080 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,0,0,0,0|1,0,0]=2 1081 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,0,0,0,0|1,0,0]=2 1082 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,0,0,0,0|1,0,0]=2 1083 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,0,0,0,0|1,0,0]=2 1084 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,0,0,0,0|0,0,1]=2 1085 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,1,0,0,0,0|2,0,1]=4 1086 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,1,0,0,0,0|2,0,1]=4 1087 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,1,0,0,0,0|2,0,1]=4 1088 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,1,0,0,0,0|2,0,1]=4 1089 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,0,0,0,0|1,0,1]=3 1090 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,1,0,0,0,0|2,0,1]=4 1091 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,1,0,0,0,0|2,0,1]=4 1092 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,1,0,0,0,0|2,0,1]=4 1093 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,1,0,0,0,0|2,0,1]=4 1094 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,0,0,0,0|1,0,1]=3 1095 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,1,0,0,0,0|1,0,1]=3 1096 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,0,0,0,0|1,0,0]=2 1097 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,0,0,0,0|1,0,0]=2 1098 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,0,0,0,0|1,0,0]=2 1099 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,0,0,0,0|1,0,0]=2 1100 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,0,0,0,0|0,0,1]=2 1101 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,0,0,0,0|0,0,1]=2 1102 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,1,0,0,0,0|2,0,1]=4 1103 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,1,0,0,0,0|2,0,1]=4 1104 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,0,0,0,0|1,0,1]=3 1105 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,0,0,0,0|1,0,1]=3 1106 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,1,0,0,0,0|2,0,1]=4 1107 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,1,0,0,0,0|2,0,1]=4 1108 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,0,0,0,0|1,0,1]=3 1109 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,0,0,0,0|1,0,1]=3 1110 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,1,0,0,0,0|1,0,1]=3 1111 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,1,0,0,0,0|2,0,1]=4 1112 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,1,0,0,0,0|2,0,1]=4 1113 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,0,0,0,0|1,0,0]=2 1114 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,1,0,0,0,0|2,0,1]=4 1115 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,1,0,0,0,0|2,0,1]=4 1116 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,1,0,0,0,0|1,0,1]=3 1117 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,1,0,0,0,0|1,0,1]=3 1118 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,1,0,0,0,0|1,0,0]=2 1119 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,1,0,0,0,0|1,0,2]=4 1120 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,1,0,0,0,0|1,0,2]=4 1121 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,1,0,0,0,0|2,0,1]=4 1122 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,1,0,0,0,0|2,0,1]=4 1123 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,0,0,0,0|1,0,0]=2 1124 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,0,0,0,0|1,0,0]=2 1125 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,0,0,0,0|1,0,0]=2 1126 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,0,0,0,0|1,0,0]=2 1127 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,0,0,0,0|1,0,0]=2 1128 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,0,0,0,0|1,0,0]=2 1129 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,0,0,0,0|1,0,0]=2 1130 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,0,0,0,0|1,0,0]=2 1131 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,1,0,0,0,0|2,0,1]=4 1132 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,1,0,0,0,0|2,0,1]=4 1133 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,1,0,0,0,0|2,0,1]=4 1134 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,1,0,0,0,0|2,0,1]=4 1135 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,0,0,0,0|1,0,1]=3 1136 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,1,0,0,0,0|2,0,1]=4 1137 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,1,0,0,0,0|3,0,0]=4 1138 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,1,0,0,0,0|3,0,0]=4 1139 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,1,0,0,0,0|2,0,1]=4 1140 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,1,0,0,0,0|2,0,0]=3 1141 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,1,0,0,0,0|2,0,1]=4 1142 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,1,0,0,0,0|2,0,1]=4 1143 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,0,0,0,0|1,0,0]=2 1144 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,0,0,0,0|1,0,0]=2 1145 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,0,0,0,0|1,0,0]=2 1146 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,0,0,0,0|1,0,0]=2 1147 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,0,0,0,0|1,0,0]=2 1148 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,0,0,0,0|1,0,0]=2 1149 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,0,0,0,0|1,0,0]=2 1150 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,1,0,0,0,0|2,0,1]=4 1151 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,1,0,0,0,0|2,0,1]=4 1152 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,1,0,0,0,0|1,0,1]=3 1153 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,1,0,0,0,0|1,0,1]=3 1154 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,1,0,0,0,0|3,0,0]=4 1155 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,1,0,0,0,0|3,0,0]=4 1156 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,1,0,0,0,0|3,0,0]=4 1157 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,1,0,0,0,0|2,0,0]=3 1158 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,1,0,0,0,0|2,0,0]=3 1159 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,1,0,0,0,0|3,0,0]=4 1160 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,1,0,0,0,0|3,0,0]=4 1161 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,1,0,0,0,0|3,0,0]=4 1162 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,1,0,0,0,0|3,0,0]=4 1163 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,1,0,0,0,0|3,0,0]=4 1164 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,1,0,0,0,0|3,0,0]=4 1165 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,1,0,0,0,0|3,0,0]=4 1166 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,1,0,0,0,0|3,0,0]=4 1167 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,1,0,0,0,0|3,0,0]=4 1168 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,1,0,0,0,0|2,0,1]=4 1169 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,1,0,0,0,0|2,0,1]=4 1170 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,1,0,0,0,0|2,0,1]=4 1171 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [0,1,0,0,0,0|2,0,1]=4 1172 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [0,1,0,0,0,0|2,0,1]=4 1173 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [0,1,0,0,0,0|2,0,1]=4 1174 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,0,0,0,0|1,0,0]=2 1175 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,0,0,0,0|1,0,0]=2 1176 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,0,0,0,0|1,0,0]=2 1177 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,0,0,0,0|1,0,0]=2 1178 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,0,0,0,0|1,0,0]=2 1179 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,1,0,0,0,0|2,0,1]=4 1180 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,1,0,0,0,0|2,0,1]=4 1181 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,1,0,0,0,0|2,0,1]=4 1182 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,1,0,0,0,0|2,0,1]=4 1183 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,1,0,0,0,0|2,0,1]=4 1184 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,0,0,0,0|1,0,1]=3 1185 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,0,0,0,0|1,0,1]=3 1186 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,0,0,0,0|1,0,1]=3 1187 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,1,0,0,0,0|3,0,0]=4 1188 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,1,0,0,0,0|2,0,0]=3 1189 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,1,0,0,0,0|2,0,0]=3 1190 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,1,0,0,0,0|2,0,0]=3 1191 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,1,0,0,0,0|2,0,0]=3 1192 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,1,0,0,0,0|2,0,0]=3 1193 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,1,0,0,0,0|2,0,0]=3 1194 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,1,0,0,0,0|2,0,0]=3 1195 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,1,0,0,0,0|2,0,0]=3 1196 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,1,0,0,0,0|2,0,0]=3 1197 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,1,0,0,0,0|2,0,0]=3 1198 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,1,0,0,0,0|2,0,0]=3 1199 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,1,0,0,0,0|1,0,2]=4 1200 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,1,0,0,0,0|1,0,2]=4 1201 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,1,0,0,0,0|2,0,1]=4 1202 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,1,0,0,0,0|2,0,1]=4 1203 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,0,0,0,0|1,0,0]=2 1204 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,0,0,0,0|1,0,0]=2 1205 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,0,0,0,0|1,0,0]=2 1206 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,0,0,0,0|1,0,0]=2 1207 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,0,0,0,0|1,0,0]=2 1208 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,0,0,0,0|1,0,0]=2 1209 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,0,0,0,0|1,0,0]=2 1210 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,1,0,0,0,0|2,0,1]=4 1211 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,1,0,0,0,0|2,0,1]=4 1212 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,1,0,0,0,0|2,0,1]=4 1213 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,0,0,0,0|1,0,1]=3 1214 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,1,0,0,0,0|3,0,0]=4 1215 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,1,0,0,0,0|3,0,0]=4 1216 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,1,0,0,0,0|3,0,0]=4 1217 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,1,0,0,0,0|3,0,0]=4 1218 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1219 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1220 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,1,0,0,0,0|1,0,1]=3 1221 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,1,0,0,0,0|2,0,0]=3 1222 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,1,0,0,0,0|2,0,0]=3 1223 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,1,0,0,0,0|2,0,0]=3 1224 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,1,0,0,0,0|2,0,0]=3 1225 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,1,0,0,0,0|2,0,0]=3 1226 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,1,0,0,0,0|2,0,0]=3 1227 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,1,0,0,0,0|2,0,0]=3 1228 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,1,0,0,0,0|2,0,0]=3 1229 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,1,0,0,0,0|2,0,0]=3 1230 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,0,0,0,0|1,0,0]=2 1231 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,1,0,0,0,0|2,0,1]=4 1232 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,0,0,0,0|2,0,0]=3 1233 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,0,0,0,0|2,0,0]=3 1234 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,1,0,0,0,0|1,0,1]=3 1235 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,1,0,0,0,0|1,0,1]=3 1236 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,1,0,0,0,0|2,0,1]=4 1237 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,1,0,0,0,0|2,0,1]=4 1238 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,1,0,0,0,0|2,0,1]=4 1239 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,1,0,0,0,0|2,0,1]=4 1240 B7R0.4 COCSC[N+](=O)[O-] 62a_100000766300_100000761209 [0,1,0,0,0,0|2,0,1]=4 1241 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,1,0,0,0,0|2,0,0]=3 1242 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,1,0,0,0,0|2,0,1]=4 1243 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,1,0,0,0,0|2,0,1]=4 1244 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [0,1,0,0,0,0|2,0,1]=4 1245 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [0,1,0,0,0,0|2,0,1]=4 1246 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,0,0,0,0|1,0,0]=2 1247 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,0,0,0,0|1,0,0]=2 1248 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,0,0,0,0|1,0,0]=2 1249 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,0,0,0,0|1,0,0]=2 1250 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,0,0,0,0|1,0,0]=2 1251 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,0,0,0,0|1,0,0]=2 1252 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,1,0,0,0,0|2,0,1]=4 1253 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,1,0,0,0,0|2,0,1]=4 1254 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,0,0,0,0|1,0,1]=3 1255 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,0,0,0,0|1,0,1]=3 1256 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,1,0,0,0,0|3,0,0]=4 1257 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,1,0,0,0,0|2,0,0]=3 1258 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,1,0,0,0,0|2,0,0]=3 1259 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,1,0,0,0,0|2,0,0]=3 1260 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,1,0,0,0,0|2,0,0]=3 1261 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,1,0,0,0,0|2,0,0]=3 1262 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,1,0,0,0,0|2,0,0]=3 1263 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,1,0,0,0,0|2,0,0]=3 1264 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,1,0,0,0,0|2,0,0]=3 1265 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,1,0,0,0,0|2,0,0]=3 1266 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,1,0,0,0,0|2,0,0]=3 1267 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,1,0,0,0,0|2,0,0]=3 1268 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,1,0,0,0,0|2,0,0]=3 1269 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,0,0,0,0|2,0,0]=3 1270 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,0,0,0,0|1,0,0]=2 1271 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,1,0,0,0,0|2,0,1]=4 1272 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,1,0,0,0,0|2,0,1]=4 1273 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,1,0,0,0,0|2,0,0]=3 1274 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,0,0,0,0|2,0,0]=3 1275 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,0,0,0,0|2,0,0]=3 1276 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,1,0,0,0,0|1,0,1]=3 1277 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,1,0,0,0,0|1,0,1]=3 1278 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,1,0,0,0,0|2,0,1]=4 1279 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,1,0,0,0,0|2,0,1]=4 1280 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,1,0,0,0,0|2,0,1]=4 1281 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,1,0,0,0,0|2,0,1]=4 1282 B7R0.4 CSCSC[N+](=O)[O-] 62a_100011218213_100000761209 [0,1,0,0,0,0|2,0,1]=4 1283 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,1,0,0,0,0|2,0,1]=4 1284 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,1,0,0,0,0|2,0,1]=4 1285 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,1,0,0,0,0|2,0,1]=4 1286 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,1,0,0,0,0|2,0,1]=4 1287 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,1,0,0,0,0|2,0,1]=4 1288 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,1,0,0,0,0|2,0,1]=4 1289 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,1,0,0,0,0|2,0,1]=4 1290 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,1,0,0,0,0|2,0,1]=4 1291 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,1,0,0,0,0|2,0,1]=4 1292 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,1,0,0,0,0|2,0,1]=4 1293 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,1,0,0,0,0|1,0,1]=3 1294 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,1,0,0,0,0|2,0,1]=4 1295 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,1,0,0,0,0|2,0,1]=4 1296 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,1,0,0,0,0|1,0,2]=4 1297 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,1,0,0,0,0|1,0,2]=4 1298 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,0,0,0,0|2,0,0]=3 1299 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,0,0,0,0|2,0,0]=3 1300 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,0,0,0,0|2,0,0]=3 1301 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,0,0,0,0|2,0,0]=3 1302 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,1,0,0,0,0|2,0,1]=4 1303 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,0,0,0,0|2,0,0]=3 1304 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,0,0,0,0|2,0,0]=3 1305 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,0,0,0,0|2,0,0]=3 1306 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,0,0,0,0|2,0,0]=3 1307 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,0,0,0,0|2,0,0]=3 1308 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,1,0,0,0,0|2,0,0]=3 1309 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,1,0,0,0,0|2,0,1]=4 1310 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,1,0,0,0,0|2,0,1]=4 1311 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,1,0,0,0,0|2,0,0]=3 1312 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,1,0,0,0,0|2,0,0]=3 1313 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,0,0,0,0|2,0,0]=3 1314 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,0,0,0,0|2,0,0]=3 1315 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,1,0,0,0,0|2,0,0]=3 1316 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,1,0,0,0,0|1,0,1]=3 1317 B7R0.4 NCCOC[N+](=O)[O-] 34a_100000210304_100000761209 [0,1,0,0,0,0|2,0,1]=4 1318 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,0,0,0,0|1,0,0]=2 1319 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,0,0,0,0|1,0,0]=2 1320 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,1,0,0,0,0|2,0,0]=3 1321 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,1,0,0,0,0|1,0,1]=3 1322 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,0,0,0,0|1,0,1]=3 1323 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,1,0,0,0,0|1,0,1]=3 1324 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,1,0,0,0,0|1,0,1]=3 1325 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,1,0,0,0,0|1,0,1]=3 1326 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,1,0,0,0,0|1,0,1]=3 1327 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,1,0,0,0,0|1,0,1]=3 1328 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,1,0,0,0,0|1,0,1]=3 1329 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,1,0,0,0,0|1,0,2]=4 1330 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,1,0,0,0,0|1,0,2]=4 1331 B7R0.4 O=[N+]([O-])CNCCF 34a_100000724931_100000761209 [0,1,0,0,0,0|2,0,1]=4 1332 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,1,0,0,0,0|2,0,1]=4 1333 B7R0.4 O=[N+]([O-])COCCBr 34a_100000211926_100000761209 [0,1,0,0,0,0|2,0,1]=4 1334 B7R0.4 O=[N+]([O-])CSCCF 62a_100011217306_100000761209 [0,1,0,0,0,0|2,0,1]=4 1335 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [0,1,0,0,0,0|2,0,1]=4 1336 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,1,0,0,0,0|1,0,1]=3 1337 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,0,0,0,0|1,0,0]=2 1338 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,1,0,0,0,0|3,0,0]=4 1339 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,0,0,0,0|2,0,0]=3 1340 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,1,0,0,0,0|2,0,1]=4 1341 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,0,0,0,0|1,0,0]=2 1342 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,1,0,0,0,0|2,0,0]=3 1343 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,1,0,0,0,0|1,0,1]=3 1344 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,1,0,0,0,0|2,0,0]=3 1345 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,1,0,0,0,0|2,0,0]=3 1346 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [0,1,0,0,0,0|2,0,1]=4 1347 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [0,1,0,0,0,0|2,0,1]=4 1348 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,0,0,0,0|1,0,0]=2 1349 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,0,0,0,0|1,0,0]=2 1350 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,1,0,0,0,0|2,0,0]=3 1351 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,1,0,0,0,0|2,0,0]=3 1352 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,1,0,0,0,0|2,0,0]=3 1353 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,1,0,0,0,0|2,0,0]=3 1354 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|2,0,1]=4 1355 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,0,0,0,0|3,0,0]=4 1356 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,1,0,0,0,0|1,0,2]=4 1357 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,1,0,0,0,0|1,0,2]=4 1358 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|2,0,1]=4 1359 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|2,0,1]=4 1360 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,1,0,0,0,0|2,0,1]=4 1361 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|2,0,0]=3 1362 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|2,0,0]=3 1363 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|2,0,0]=3 1364 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,1,0,0,0,0|3,0,0]=4 1365 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,1,0,0,0,0|3,0,0]=4 1366 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,1,0,0,0,0|3,0,0]=4 1367 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,1,0,0,0,0|3,0,0]=4 1368 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,1,0,0,0,0|3,0,0]=4 1369 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|1,0,0]=2 1370 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,1,0,0,0,0|2,0,1]=4 1371 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,1,0,0,0,0|2,0,1]=4 1372 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,1,0,0,0,0|3,0,0]=4 1373 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,1,0,0,0,0|3,0,0]=4 1374 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|1,0,2]=4 1375 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|1,0,2]=4 1376 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,0,0,0,0|0,0,3]=4 1377 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|1,0,2]=4 1378 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|1,0,2]=4 1379 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|1,0,0]=2 1380 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|1,0,0]=2 1381 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|1,0,0]=2 1382 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,0,0,0,0|3,0,0]=4 1383 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,0,0,0,0|3,0,0]=4 1384 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,0,0,0,0|3,0,0]=4 1385 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 1386 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 1387 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 1388 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|2,0,0]=3 1389 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|1,0,0]=2 1390 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|1,0,0]=2 1391 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|2,0,1]=4 1392 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|2,0,1]=4 1393 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|2,0,1]=4 1394 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|2,0,0]=3 1395 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,0,0,0,0|2,0,0]=3 1396 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,0,0,0,0|2,0,0]=3 1397 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|1,0,0]=2 1398 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,0,0,0,0|2,0,0]=3 1399 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,0,0,0,0|2,0,0]=3 1400 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|2,0,0]=3 1401 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|2,0,0]=3 1402 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,0,0,0,0|2,0,0]=3 1403 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|2,0,0]=3 1404 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,0,0,0,0|2,0,0]=3 1405 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,0,0,0,0|1,0,1]=3 1406 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,0,0,0,0|1,0,1]=3 1407 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,0,0,0,0|2,0,0]=3 1408 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,0,0,0,0|2,0,0]=3 1409 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,0,0,0,0|2,0,0]=3 1410 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,0,0,0,0|2,0,0]=3 1411 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,0,0,0,0|2,0,0]=3 1412 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,0,0,0,0|2,0,0]=3 1413 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,0,0,0,0|2,0,0]=3 1414 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,0,0,0,0|2,0,0]=3 1415 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,0,0,0,0|2,0,0]=3 1416 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,0,0,0,0|2,0,0]=3 1417 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,0,0,0,0|1,0,1]=3 1418 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,0,0,0,0|1,0,1]=3 1419 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,1]=4 1420 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|1,0,0]=2 1421 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|1,0,0]=2 1422 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|2,0,1]=4 1423 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|2,0,0]=3 1424 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|2,0,0]=3 1425 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|2,0,0]=3 1426 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|2,0,0]=3 1427 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|2,0,0]=3 1428 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,1,0,0,0,0|2,0,1]=4 1429 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,1,0,0,0,0|2,0,1]=4 1430 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,0]=3 1431 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|2,0,1]=4 1432 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|2,0,1]=4 1433 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|2,0,0]=3 1434 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|2,0,0]=3 1435 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,1,0,0,0,0|3,0,0]=4 1436 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,1,0,0,0,0|3,0,0]=4 1437 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,1,0,0,0,0|3,0,0]=4 1438 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|2,0,0]=3 1439 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,1,0,0,0,0|2,0,1]=4 1440 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,1,0,0,0,0|3,0,0]=4 1441 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,1,0,0,0,0|3,0,0]=4 1442 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,1,0,0,0,0|2,0,1]=4 1443 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,1,0,0,0,0|2,0,1]=4 1444 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|1,0,0]=2 1445 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,0]=3 1446 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,1,0,0,0,0|1,0,1]=3 1447 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,1,0,0,0,0|1,0,1]=3 1448 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,1,0,0,0,0|1,0,1]=3 1449 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,1,0,0,0,0|3,0,0]=4 1450 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,1,0,0,0,0|3,0,0]=4 1451 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,1,0,0,0,0|2,0,1]=4 1452 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,1,0,0,0,0|2,0,1]=4 1453 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,1,0,0,0,0|2,0,1]=4 1454 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,1,0,0,0,0|2,0,1]=4 1455 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,1,0,0,0,0|3,0,0]=4 1456 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,1,0,0,0,0|3,0,0]=4 1457 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,1,0,0,0,0|3,0,0]=4 1458 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,1,0,0,0,0|3,0,0]=4 1459 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,1,0,0,0,0|3,0,0]=4 1460 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,1,0,0,0,0|3,0,0]=4 1461 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,1,0,0,0,0|3,0,0]=4 1462 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,1,0,0,0,0|3,0,0]=4 1463 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,1,0,0,0,0|3,0,0]=4 1464 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,1,0,0,0,0|3,0,0]=4 1465 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,1,0,0,0,0|3,0,0]=4 1466 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,1,0,0,0,0|3,0,0]=4 1467 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,1,0,0,0,0|1,0,2]=4 1468 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,1,0,0,0,0|1,0,2]=4 1469 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,1,0,0,0,0|1,0,2]=4 1470 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,1,0,0,0,0|1,0,2]=4 1471 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,1,0,0,0,0|1,0,1]=3 1472 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,1,0,0,0,0|1,0,0]=2 1473 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,1,0,0,0,0|1,0,0]=2 1474 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,1,0,0,0,0|1,0,0]=2 1475 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,1,0,0,0,0|2,0,0]=3 1476 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,1,0,0,0,0|1,0,2]=4 1477 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,1,0,0,0,0|2,0,0]=3 1478 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,1,0,0,0,0|2,0,1]=4 1479 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,1,0,0,0,0|2,0,1]=4 1480 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,1,0,0,0,0|2,0,1]=4 1481 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,1,0,0,0,0|2,0,0]=3 1482 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,1,0,0,0,0|2,0,0]=3 1483 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,1,0,0,0,0|3,0,0]=4 1484 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,1,0,0,0,0|2,0,1]=4 1485 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,1,0,0,0,0|2,0,0]=3 1486 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,1,0,0,0,0|3,0,0]=4 1487 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,1,0,0,0,0|2,0,1]=4 1488 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,1,0,0,0,0|2,0,1]=4 1489 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,1,0,0,0,0|2,0,1]=4 1490 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,1,0,0,0,0|2,0,1]=4 1491 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,1,0,0,0,0|2,0,0]=3 1492 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,1,0,0,0,0|2,0,0]=3 1493 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,1,0,0,0,0|2,0,0]=3 1494 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,1,0,0,0,0|2,0,0]=3 1495 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,1,0,0,0,0|2,0,0]=3 1496 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,1,0,0,0,0|2,0,0]=3 1497 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,1,0,0,0,0|2,0,0]=3 1498 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,1,0,0,0,0|3,0,0]=4 1499 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,1,0,0,0,0|3,0,0]=4 1500 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,1,0,0,0,0|3,0,0]=4 1501 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,1,0,0,0,0|3,0,0]=4 1502 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,1,0,0,0,0|3,0,0]=4 1503 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,1,0,0,0,0|2,0,1]=4 1504 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,1,0,0,0,0|3,0,0]=4 1505 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,1,0,0,0,0|2,0,1]=4 1506 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,1,0,0,0,0|1,0,2]=4 1507 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,1,0,0,0,0|1,0,0]=2 1508 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,1,0,0,0,0|3,0,0]=4 1509 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,1,0,0,0,0|3,0,0]=4 1510 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,1,0,0,0,0|3,0,0]=4 1511 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,1,0,0,0,0|3,0,0]=4 1512 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,1,0,0,0,0|3,0,0]=4 1513 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,1,0,0,0,0|3,0,0]=4 1514 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,1,0,0,0,0|2,0,0]=3 1515 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,1,0,0,0,0|2,0,0]=3 1516 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,1,0,0,0,0|2,0,0]=3 1517 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,1,0,0,0,0|1,0,0]=2 1518 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,1,0,0,0,0|1,0,1]=3 1519 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,1,0,0,0,0|2,0,1]=4 1520 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,1,0,0,0,0|2,0,1]=4 1521 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,1,0,0,0,0|2,0,1]=4 1522 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,1,0,0,0,0|2,0,0]=3 1523 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,1,0,0,0,0|2,0,0]=3 1524 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,1,0,0,0,0|1,0,1]=3 1525 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,1,0,0,0,0|2,0,1]=4 1526 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,1,0,0,0,0|2,0,1]=4 1527 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,1,0,0,0,0|2,0,0]=3 1528 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,1,0,0,0,0|2,0,0]=3 1529 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,1,0,0,0,0|2,0,0]=3 1530 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,1,0,0,0,0|1,0,1]=3 1531 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,1,0,0,0,0|1,0,1]=3 1532 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,1,0,0,0,0|2,0,1]=4 1533 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,1,0,0,0,0|2,0,1]=4 1534 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,1,0,0,0,0|2,0,1]=4 1535 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,1,0,0,0,0|2,0,1]=4 1536 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,1,0,0,0,0|2,0,1]=4 1537 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,1,0,0,0,0|2,0,1]=4 1538 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,1,0,0,0,0|2,0,1]=4 1539 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,1,0,0,0,0|2,0,1]=4 1540 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,1,0,0,0,0|2,0,1]=4 1541 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,1,0,0,0,0|2,0,1]=4 1542 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,1,0,0,0,0|2,0,1]=4 1543 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,1,0,0,0,0|2,0,1]=4 1544 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,1,0,0,0,0|2,0,0]=3 1545 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,1,0,0,0,0|2,0,0]=3 1546 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,1,0,0,0,0|2,0,0]=3 1547 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,1,0,0,0,0|2,0,0]=3 1548 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,1,0,0,0,0|2,0,0]=3 1549 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,1,0,0,0,0|1,0,1]=3 1550 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,1,0,0,0,0|1,0,2]=4 1551 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,1,0,0,0,0|2,0,1]=4 1552 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,1,0,0,0,0|3,0,0]=4 1553 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,1,0,0,0,0|3,0,0]=4 1554 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,1,0,0,0,0|2,0,1]=4 1555 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,1,0,0,0,0|2,0,1]=4 1556 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [0,1,0,0,0,0|2,0,1]=4 1557 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [0,1,0,0,0,0|2,0,1]=4 1558 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [0,1,0,0,0,0|2,0,1]=4 1559 B7R0.8 CCOCS(=O)(=O)[O-] 34a_100121572206_100009817235 [0,1,0,0,0,0|2,0,1]=4 1560 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [0,1,0,0,0,0|2,0,1]=4 1561 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [0,1,0,0,0,0|2,0,1]=4 1562 B7R0.8 CCSCS(=O)(=O)N 62a_100000210202_100000741382 [0,1,0,0,0,0|2,0,1]=4 1563 B7R0.8 CCSCS(=O)(=O)N 62a_100000741382_100000210202 [0,1,0,0,0,0|2,0,1]=4 1564 B7R0.8 CCSCS(=O)(=O)[O-] 62a_100000210202_100009817235 [0,1,0,0,0,0|2,0,1]=4 1565 B7R0.8 CCSCS(=O)(=O)[O-] 62a_100009817235_100000210202 [0,1,0,0,0,0|2,0,1]=4 1566 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,1,0,0,0,0|2,0,1]=4 1567 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,1,0,0,0,0|2,0,1]=4 1568 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,1,0,0,0,0|2,0,1]=4 1569 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [0,1,0,0,0,0|2,0,1]=4 1570 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [0,1,0,0,0,0|2,0,1]=4 1571 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [0,1,0,0,0,0|2,0,1]=4 1572 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [0,1,0,0,0,0|2,0,1]=4 1573 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [0,1,0,0,0,0|2,0,1]=4 1574 B7R0.8 CNCCS(=O)(=O)N 2230a_100000738205_200000210301 [0,1,0,0,0,0|2,0,1]=4 1575 B7R0.8 CNCCS(=O)(=O)N 34a_100000738205_200000210301 [0,1,0,0,0,0|2,0,1]=4 1576 B7R0.8 CNCCS(=O)(=O)[O-] 2230a_106832991635_100000737633 [0,1,0,0,0,0|2,0,1]=4 1577 B7R0.8 CNCCS(=O)(=O)[O-] 34a_100102657272_100000762736 [0,1,0,0,0,0|2,0,1]=4 1578 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,1,0,0,0,0|2,0,1]=4 1579 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [0,1,0,0,0,0|2,0,1]=4 1580 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [0,1,0,0,0,0|2,0,1]=4 1581 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [0,1,0,0,0,0|2,0,1]=4 1582 B7R0.8 COCCS(=O)(=O)N 34a_100012334274_200000210301 [0,1,0,0,0,0|2,0,1]=4 1583 B7R0.8 COCCS(=O)(=O)[O-] 34a_100138415774_100000762736 [0,1,0,0,0,0|2,0,1]=4 1584 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [0,1,0,0,0,0|2,0,1]=4 1585 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [0,1,0,0,0,0|2,0,1]=4 1586 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [0,1,0,0,0,0|2,0,1]=4 1587 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [0,1,0,0,0,0|2,0,1]=4 1588 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [0,1,0,0,0,0|2,0,1]=4 1589 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [0,1,0,0,0,0|2,0,1]=4 1590 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,1,0,0,0,0|2,0,1]=4 1591 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,1,0,0,0,0|2,0,1]=4 1592 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [0,1,0,0,0,0|2,0,1]=4 1593 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [0,1,0,0,0,0|2,0,1]=4 1594 B7R0.8 CSCCS(=O)(=O)[O-] 62a_100000762736_200000210301 [0,1,0,0,0,0|2,0,1]=4 1595 B7R0.8 CSCCS(=O)(=O)[O-] 62a_200000210301_100000762736 [0,1,0,0,0,0|2,0,1]=4 1596 B7R0.8 [13CH3]NCCS(=O)(=O)N 2230a_100000738205_200025704644 [0,1,0,0,0,0|2,0,1]=4 1597 B7R0.8 [13CH3]NCCS(=O)(=O)N 34a_100000738205_200025704644 [0,1,0,0,0,0|2,0,1]=4 1598 B7R0.8 [13CH3]OCCS(=O)(=O)N 34a_100012334274_200025704644 [0,1,0,0,0,0|2,0,1]=4 1599 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_100000762736_200025704644 [0,1,0,0,0,0|2,0,1]=4 1600 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_200025704644_100000762736 [0,1,0,0,0,0|2,0,1]=4 1601 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,0,0,1,0,0|2,0,1]=4 1602 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,0,0,1,0,0|2,0,1]=4 1603 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,1,0,0|3,0,0]=4 1604 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1605 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1606 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1607 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1608 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1609 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1610 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,0,0,1,0,0|2,0,1]=4 1611 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,0,0,1,0,0|2,0,1]=4 1612 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,1,0,0|3,0,0]=4 1613 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,0,0,1,0,0|2,0,1]=4 1614 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,0,0,1,0,0|2,0,1]=4 1615 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,0,0,1,0,0|2,0,1]=4 1616 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,0,0,1,0,0|2,0,1]=4 1617 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,0,0,1,0,0|2,0,1]=4 1618 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,0,0,1,0,0|2,0,1]=4 1619 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,0,0,1,0,0|2,0,1]=4 1620 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,0,0,1,0,0|2,0,1]=4 1621 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,0,0,1,0,0|2,0,1]=4 1622 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,0,0,1,0,0|2,0,1]=4 1623 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,0,0,1,0,0|2,0,1]=4 1624 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,0,0,1,0,0|2,0,1]=4 1625 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,0,0,1,0,0|2,0,1]=4 1626 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,0,0,1,0,0|2,0,1]=4 1627 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,0,0,1,0,0|2,0,1]=4 1628 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,0,0,1,0,0|2,0,1]=4 1629 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,0,0,1,0,0|2,0,1]=4 1630 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,0,0,1,0,0|3,0,0]=4 1631 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,0,0,1,0,0|3,0,0]=4 1632 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,0,0,1,0,0|3,0,0]=4 1633 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,0,0,1,0,0|3,0,0]=4 1634 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,0,0,1,0,0|3,0,0]=4 1635 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,0,0,1,0,0|3,0,0]=4 1636 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [0,0,0,1,0,0|2,0,1]=4 1637 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,0,0,1,0,0|2,0,1]=4 1638 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,0,0,1,0,0|2,0,0]=3 1639 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,0,0,1,0,0|2,0,1]=4 1640 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,0,0,1,0,0|2,0,0]=3 1641 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|1,0,0]=2 1642 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,0,1,0,0|2,0,0]=3 1643 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|1,0,0]=2 1644 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,0,1,0,0|2,0,0]=3 1645 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,1,0,0|1,0,0]=2 1646 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,1,0,0|1,0,0]=2 1647 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,1,0,0|2,0,0]=3 1648 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,1,0,0|2,0,0]=3 1649 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,1,0,0|2,0,0]=3 1650 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,1,0,0|2,0,0]=3 1651 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,1,0,0|2,0,0]=3 1652 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,1,0,0|2,0,0]=3 1653 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 1654 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 1655 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,0,0,1,0,0|3,0,0]=4 1656 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,0,0,1,0,0|3,0,0]=4 1657 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 1658 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 1659 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 1660 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 1661 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,1,0,0|1,0,0]=2 1662 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,1,0,0|2,0,0]=3 1663 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,1,0,0|2,0,0]=3 1664 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,0,1,0,0|1,0,0]=2 1665 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,0,1,0,0|1,0,0]=2 1666 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,0,0,1,0,0|2,0,0]=3 1667 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,0,1,0,0|2,0,0]=3 1668 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,0,0,1,0,0|2,0,0]=3 1669 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,0,1,0,0|2,0,0]=3 1670 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,0,1,0,0|2,0,0]=3 1671 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,0,1,0,0|2,0,0]=3 1672 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [0,0,0,1,0,0|3,0,0]=4 1673 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [0,0,0,1,0,0|3,0,0]=4 1674 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [0,0,0,1,0,0|3,0,0]=4 1675 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [0,0,0,1,0,0|3,0,0]=4 1676 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [0,0,0,1,0,0|3,0,0]=4 1677 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [0,0,0,1,0,0|3,0,0]=4 1678 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,0,1,0,0|1,0,0]=2 1679 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|2,0,0]=4 1680 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|2,0,0]=4 1681 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|1,0,0]=3 1682 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|1,0,0]=3 1683 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|1,0,0]=3 1684 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|2,0,0]=4 1685 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|2,0,0]=4 1686 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|2,0,0]=4 1687 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|2,0,0]=4 1688 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|2,0,0]=4 1689 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 1690 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 1691 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 1692 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 1693 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 1694 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|1,0,1]=4 1695 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|1,0,1]=4 1696 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|1,0,1]=4 1697 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|1,0,1]=4 1698 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|1,0,1]=4 1699 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|1,0,1]=4 1700 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|1,0,1]=4 1701 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 1702 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,1]=4 1703 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 1704 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,1]=4 1705 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,1]=4 1706 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,1]=4 1707 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,1]=4 1708 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,1]=4 1709 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,1]=4 1710 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,1]=4 1711 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,1]=4 1712 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,1]=4 1713 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 1714 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,1]=4 1715 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 1716 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 1717 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 1718 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 1719 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 1720 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1721 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 1722 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 1723 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1724 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,0]=3 1725 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 1726 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,0]=3 1727 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,0]=3 1728 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 1729 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 1730 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1731 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|2,0,0]=4 1732 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|2,0,0]=4 1733 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,0]=3 1734 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 1735 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 1736 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|2,0,0]=4 1737 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|2,0,0]=4 1738 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,0]=3 1739 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,0]=3 1740 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 1741 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,0]=3 1742 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,0]=3 1743 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1744 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|2,0,0]=4 1745 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 1746 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 1747 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|2,0,0]=4 1748 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|2,0,0]=4 1749 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,0]=3 1750 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,0]=3 1751 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,1,0,0,0,0|1,0,0]=3 1752 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,1,0,0,0,0|2,0,0]=4 1753 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,1,0,0,0,0|2,0,0]=4 1754 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,1,0,0,0,0|0,0,2]=4 1755 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|1,0,0]=3 1756 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,1,0,0,0,0|2,0,0]=4 1757 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,1,0,0,0,0|2,0,0]=4 1758 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,1,0,0,0,0|2,0,0]=4 1759 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|0,0,2]=4 1760 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|2,0,0]=4 1761 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|2,0,0]=4 1762 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|2,0,0]=4 1763 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|2,0,0]=4 1764 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|2,0,0]=4 1765 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|2,0,0]=4 1766 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|2,0,0]=4 1767 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|2,0,0]=4 1768 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|2,0,0]=4 1769 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|2,0,0]=4 1770 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|2,0,0]=4 1771 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|2,0,0]=4 1772 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|1,0,0]=3 1773 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|1,0,0]=3 1774 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,0]=3 1775 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,0]=2 1776 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,0]=3 1777 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 1778 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 1779 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 1780 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 1781 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,1]=4 1782 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 1783 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 1784 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 1785 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1786 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1787 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1788 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1789 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1790 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|2,0,0]=4 1791 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 1792 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 1793 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 1794 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 1795 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|2,0,0]=4 1796 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|2,0,0]=4 1797 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,1,0,0,0,0|2,0,0]=4 1798 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,1,0,0,0,0|2,0,0]=4 1799 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 1800 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 1801 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,1,0,0,0,0|2,0,0]=4 1802 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,1,0,0,0,0|2,0,0]=4 1803 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 1804 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,1,0,0,0,0|2,0,0]=4 1805 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,1,0,0,0,0|2,0,0]=4 1806 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 1807 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 1808 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 1809 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,1,0,0,0,0|2,0,0]=4 1810 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,1,0,0,0,0|2,0,0]=4 1811 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,1,0,0,0,0|2,0,0]=4 1812 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,1,0,0,0,0|2,0,0]=4 1813 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,1,0,0,0,0|2,0,0]=4 1814 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,1,0,0,0,0|2,0,0]=4 1815 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,1,0,0,0,0|2,0,0]=4 1816 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,1,0,0,0,0|2,0,0]=4 1817 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 1818 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,0]=3 1819 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 1820 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 1821 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,0]=3 1822 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,0]=3 1823 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,0]=3 1824 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,0]=3 1825 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,1,0,0,0,0|2,0,0]=4 1826 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,0]=3 1827 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|2,0,0]=4 1828 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,1,0,0,0,0|1,0,1]=4 1829 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|2,0,0]=4 1830 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,0]=3 1831 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|1,0,0]=3 1832 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|1,0,1]=4 1833 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|1,0,1]=4 1834 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|1,0,1]=4 1835 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|0,0,2]=4 1836 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,0]=3 1837 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,0]=3 1838 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,0]=3 1839 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|2,0,0]=4 1840 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|2,0,0]=4 1841 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,0]=3 1842 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1843 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 1844 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 1845 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 1846 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|2,0,0]=4 1847 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,0]=3 1848 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1849 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,1,0,0,0,0|2,0,0]=4 1850 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,1,0,0,0,0|2,0,0]=4 1851 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,0,0]=3 1852 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|2,0,0]=4 1853 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,1,0,0,0,0|1,0,1]=4 1854 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1855 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,0,0]=3 1856 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,0]=3 1857 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1858 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|1,0,1]=4 1859 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|2,0,0]=4 1860 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1861 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|2,0,0]=4 1862 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,1,0,0,0,0|2,0,0]=4 1863 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,1,0,0,0,0|2,0,0]=4 1864 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,1,0,0,0,0|2,0,0]=4 1865 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|1,0,0]=3 1866 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|1,0,0]=3 1867 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|1,0,0]=3 1868 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|1,0,0]=3 1869 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|1,0,0]=3 1870 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|2,0,0]=4 1871 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|2,0,0]=4 1872 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|2,0,0]=4 1873 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|2,0,0]=4 1874 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|2,0,0]=4 1875 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|2,0,0]=4 1876 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,1,0,0,0,0|2,0,0]=4 1877 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,1,0,0,0,0|2,0,0]=4 1878 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,1,0,0,0,0|2,0,0]=4 1879 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,1,0,0,0,0|2,0,0]=4 1880 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,1,0,0,0,0|2,0,0]=4 1881 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,1,0,0,0,0|2,0,0]=4 1882 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,1,0,0,0,0|1,0,1]=4 1883 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,1,0,0,0,0|1,0,0]=3 1884 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,1,0,0,0,0|2,0,0]=4 1885 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,1,0,0,0,0|2,0,0]=4 1886 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|2,0,0]=4 1887 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|2,0,0]=4 1888 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,1,0,0,0,0|2,0,0]=4 1889 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|2,0,0]=4 1890 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,1,0,0,0,0|2,0,0]=4 1891 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,1,0,0,0,0|1,0,1]=4 1892 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,1,0,0,0,0|1,0,1]=4 1893 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,1,0,0,0,0|2,0,0]=4 1894 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,1,0,0,0,0|2,0,0]=4 1895 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|2,0,0]=4 1896 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1897 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|2,0,0]=4 1898 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,1,0,0,0,0|2,0,0]=4 1899 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,1,0,0,0,0|2,0,0]=4 1900 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|2,0,0]=4 1901 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,1,0,0,0,0|2,0,0]=4 1902 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,1,0,0,0,0|2,0,0]=4 1903 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,1,0,0,0,0|1,0,1]=4 1904 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,1,0,0,0,0|1,0,1]=4 1905 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1906 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1907 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1908 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1909 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,1,0,0,0,0|1,0,0]=3 1910 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,1,0,0,0,0|1,0,1]=4 1911 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,1,0,0,0,0|2,0,0]=4 1912 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,1,0,0,0,0|2,0,0]=4 1913 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,1,0,0,0,0|2,0,0]=4 1914 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,1,0,0,0,0|1,0,1]=4 1915 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,1,0,0,0,0|1,0,1]=4 1916 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [1,1,0,0,0,0|1,0,1]=4 1917 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [1,1,0,0,0,0|1,0,1]=4 1918 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [1,1,0,0,0,0|1,0,1]=4 1919 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [1,1,0,0,0,0|1,0,1]=4 1920 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [1,1,0,0,0,0|1,0,1]=4 1921 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [1,1,0,0,0,0|1,0,1]=4 1922 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [1,1,0,0,0,0|1,0,1]=4 1923 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [1,1,0,0,0,0|1,0,1]=4 1924 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [1,1,0,0,0,0|1,0,1]=4 1925 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [1,1,0,0,0,0|1,0,1]=4 1926 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [1,1,0,0,0,0|1,0,1]=4 1927 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [1,1,0,0,0,0|1,0,1]=4 1928 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [1,1,0,0,0,0|1,0,1]=4 1929 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [1,1,0,0,0,0|1,0,1]=4 1930 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [1,1,0,0,0,0|1,0,1]=4 1931 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [1,1,0,0,0,0|1,0,1]=4 1932 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,1,0,0,0,0|1,0,1]=4 1933 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,1,0,0,0,0|1,0,1]=4 1934 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,1,0,0,0,0|1,0,1]=4 1935 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1936 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [1,1,0,0,0,0|0,0,2]=4 1937 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [1,1,0,0,0,0|1,0,1]=4 1938 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [1,1,0,0,0,0|0,0,2]=4 1939 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [1,1,0,0,0,0|1,0,1]=4 1940 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [1,1,0,0,0,0|1,0,1]=4 1941 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [1,1,0,0,0,0|0,0,2]=4 1942 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [1,1,0,0,0,0|1,0,1]=4 1943 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|1,0,1]=4 1944 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|1,0,1]=4 1945 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,1,0,0,0,0|1,0,1]=4 1946 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,1,0,0,0,0|1,0,1]=4 1947 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|1,0,1]=4 1948 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|1,0,1]=4 1949 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,1,0,0,0,0|1,0,0]=3 1950 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,1,0,0,0,0|1,0,0]=3 1951 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,1,0,0,0,0|1,0,0]=3 1952 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,1,0,0,0,0|1,0,0]=3 1953 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,1,0,0,0,0|1,0,0]=3 1954 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,1,0,0,0,0|1,0,0]=3 1955 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,1,0,0,0,0|1,0,0]=3 1956 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,1,0,0,0,0|1,0,0]=3 1957 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,1,0,0,0,0|1,0,0]=3 1958 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,1,0,0,0,0|1,0,0]=3 1959 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,1,0,0,0,0|1,0,0]=3 1960 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,1,0,0,0,0|1,0,0]=3 1961 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,1,0,0,0,0|1,0,0]=3 1962 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,1,0,0,0,0|1,0,0]=3 1963 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,1,0,0,0,0|1,0,0]=3 1964 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,1,0,0,0,0|1,0,0]=3 1965 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,1,0,0,0,0|1,0,0]=3 1966 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,1,0,0,0,0|1,0,0]=3 1967 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,1,0,0,0,0|1,0,0]=3 1968 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,1,0,0,0,0|1,0,0]=3 1969 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,1,0,0,0,0|2,0,0]=4 1970 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,1,0,0,0,0|1,0,0]=3 1971 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,1,0,0,0,0|1,0,0]=3 1972 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,1,0,0,0,0|2,0,0]=4 1973 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,1,0,0,0,0|2,0,0]=4 1974 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,1,0,0,0,0|0,0,2]=4 1975 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,1,0,0,0,0|1,0,0]=3 1976 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,1,0,0,0,0|2,0,0]=4 1977 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,1,0,0,0,0|2,0,0]=4 1978 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,1,0,0,0,0|2,0,0]=4 1979 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,1,0,0,0,0|2,0,0]=4 1980 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,1,0,0,0,0|2,0,0]=4 1981 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,1,0,0,0,0|2,0,0]=4 1982 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,1,0,0,0,0|2,0,0]=4 1983 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,1,0,0,0,0|0,0,2]=4 1984 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,1,0,0,0,0|2,0,0]=4 1985 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,1,0,0,0,0|1,0,0]=3 1986 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,1,0,0,0,0|1,0,0]=3 1987 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,1,0,0,0,0|2,0,0]=4 1988 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,1,0,0,0,0|2,0,0]=4 1989 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,1,0,0,0,0|2,0,0]=4 1990 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,1,0,0,0,0|2,0,0]=4 1991 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,1,0,0,0,0|0,0,2]=4 1992 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,1,0,0,0,0|0,0,2]=4 1993 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,1,0,0,0,0|1,0,0]=3 1994 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,1,0,0,0,0|1,0,0]=3 1995 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,1,0,0,0,0|2,0,0]=4 1996 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,1,0,0,0,0|2,0,0]=4 1997 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,1,0,0,0,0|2,0,0]=4 1998 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,1,0,0,0,0|2,0,0]=4 1999 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [1,1,0,0,0,0|2,0,0]=4 2000 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [1,1,0,0,0,0|2,0,0]=4 2001 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,1,0,0,0,0|2,0,0]=4 2002 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,1,0,0,0,0|2,0,0]=4 2003 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,1,0,0,0,0|2,0,0]=4 2004 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,1,0,0,0,0|2,0,0]=4 2005 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,1,0,0,0,0|2,0,0]=4 2006 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,1,0,0,0,0|2,0,0]=4 2007 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,1,0,0,0,0|2,0,0]=4 2008 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,1,0,0,0,0|2,0,0]=4 2009 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,1,0,0,0,0|2,0,0]=4 2010 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,1,0,0,0,0|2,0,0]=4 2011 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,1,0,0,0,0|2,0,0]=4 2012 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,1,0,0,0,0|2,0,0]=4 2013 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,1,0,0,0,0|1,0,1]=4 2014 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,1,0,0,0,0|1,0,1]=4 2015 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|1,0,1]=4 2016 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|1,0,1]=4 2017 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,1,0,0,0,0|2,0,0]=4 2018 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,1,0,0,0,0|1,0,1]=4 2019 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,1,0,0,0,0|1,0,1]=4 2020 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,1,0,0,0,0|1,0,1]=4 2021 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,1,0,0,0,0|1,0,1]=4 2022 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,1,0,0,0,0|1,0,1]=4 2023 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,1,0,0,0,0|0,0,1]=3 2024 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,1,0,0,0,0|0,0,1]=3 2025 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,1,0,0,0,0|0,0,1]=3 2026 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,1,0,0,0,0|0,0,1]=3 2027 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,1,0,0,0,0|0,0,1]=3 2028 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,1,0,0,0,0|0,1,1]=4 2029 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,1,0,0,0,0|0,1,1]=4 2030 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,1,0,0,0,0|0,1,1]=4 2031 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,1,0,0,0,0|0,1,1]=4 2032 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,1,0,0,0,0|1,0,1]=4 2033 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,1,0,0,0,0|1,0,1]=4 2034 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,1,0,0,0,0|1,0,1]=4 2035 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,1,0,0,0,0|1,0,1]=4 2036 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,1,0,0,0,0|1,0,1]=4 2037 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,1,0,0,0,0|1,0,1]=4 2038 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,1,0,0,0,0|1,0,1]=4 2039 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,1,0,0,0,0|1,0,1]=4 2040 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,1,0,0,0,0|1,0,1]=4 2041 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,1,0,0,0,0|1,0,1]=4 2042 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,1,0,0,0,0|1,0,1]=4 2043 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,1,0,0,0,0|1,0,1]=4 2044 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,1,0,0,0,0|1,0,1]=4 2045 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,1,0,0,0,0|1,0,1]=4 2046 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,1,0,0,0,0|0,0,1]=3 2047 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,1,0,0,0,0|0,0,1]=3 2048 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,1,0,0,0,0|0,0,0]=2 2049 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,1,0,0,0,0|1,0,1]=4 2050 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,1,0,0,0,0|1,0,1]=4 2051 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,1,0,0,0,0|1,0,1]=4 2052 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,1,0,0,0,0|1,0,1]=4 2053 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,1,0,0,0,0|0,0,1]=3 2054 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,1,0,0,0,0|2,0,0]=4 2055 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [1,1,0,0,0,0|1,0,1]=4 2056 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [1,1,0,0,0,0|1,0,1]=4 2057 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,1,0,0,0,0|0,0,0]=2 2058 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,1,0,0,0,0|0,0,0]=2 2059 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,1,0,0,0,0|1,0,1]=4 2060 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,1,0,0,0,0|1,0,1]=4 2061 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,1,0,0,0,0|1,0,1]=4 2062 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,1,0,0,0,0|0,0,1]=3 2063 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,1,0,0,0,0|0,0,1]=3 2064 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,1,0,0,0,0|1,0,1]=4 2065 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,1,0,0,0,0|1,0,1]=4 2066 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,1,0,0,0,0|2,0,0]=4 2067 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,1,0,0,0,0|2,0,0]=4 2068 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [1,1,0,0,0,0|1,0,1]=4 2069 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,1,0,0,0,0|1,0,1]=4 2070 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,1,0,0,0,0|1,0,1]=4 2071 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,1,0,0,0,0|1,0,1]=4 2072 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,1,0,0,0,0|0,0,1]=3 2073 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,1,0,0,0,0|1,0,1]=4 2074 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,1,0,0,0,0|1,0,1]=4 2075 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,1,0,0,0,0|2,0,0]=4 2076 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,1,0,0,0,0|2,0,0]=4 2077 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,1,0,0,0,0|1,0,1]=4 2078 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,1,0,0,0,0|1,0,1]=4 2079 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,1,0,0,0,0|1,0,1]=4 2080 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,1,0,0,0,0|1,0,1]=4 2081 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,1,0,0,0,0|1,0,1]=4 2082 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,1,0,0,0,0|0,0,1]=3 2083 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,1,0,0,0,0|2,0,0]=4 2084 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,1,0,0,0,0|2,0,0]=4 2085 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,1,0,0,0,0|2,0,0]=4 2086 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,1,0,0,0,0|2,0,0]=4 2087 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,1,0,0,0,0|2,0,0]=4 2088 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,1,0,0,0,0|2,0,0]=4 2089 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,1,0,0,0,0|2,0,0]=4 2090 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,1,0,0,0,0|1,0,1]=4 2091 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,1,0,0,0,0|1,0,1]=4 2092 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,1,0,0,0,0|1,0,1]=4 2093 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,1,0,0,0,0|1,0,1]=4 2094 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,1,0,0,0,0|1,0,1]=4 2095 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,1,0,0,0,0|1,0,1]=4 2096 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,1,0,0,0,0|1,0,1]=4 2097 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,1,0,0,0,0|1,0,1]=4 2098 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,1,0,0,0,0|2,0,0]=4 2099 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,1,0,0,0,0|2,0,0]=4 2100 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,1,0,0,0,0|2,0,0]=4 2101 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,1,0,0,0,0|2,0,0]=4 2102 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,1,0,0,0,0|2,0,0]=4 2103 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,1,0,0,0,0|2,0,0]=4 2104 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,1,0,0,0,0|2,0,0]=4 2105 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,1,0,0,0,0|1,0,1]=4 2106 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,1,0,0,0,0|1,0,1]=4 2107 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,1,0,0,0,0|1,0,1]=4 2108 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,1,0,0,0,0|1,0,1]=4 2109 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,1,0,0,0,0|0,0,1]=3 2110 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,1,0,0,0,0|0,0,1]=3 2111 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,1,0,0,0,0|2,0,0]=4 2112 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,1,0,0,0,0|2,0,0]=4 2113 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,1,0,0,0,0|2,0,0]=4 2114 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,1,0,0,0,0|2,0,0]=4 2115 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,1,0,0,0,0|2,0,0]=4 2116 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,1,0,0,0,0|1,0,1]=4 2117 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,1,0,0,0,0|1,0,1]=4 2118 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,1,0,0,0,0|1,0,1]=4 2119 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,1,0,0,0,0|1,0,1]=4 2120 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,1,0,0,0,0|1,0,1]=4 2121 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,1,0,0,0,0|1,0,1]=4 2122 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,1,0,0,0,0|1,0,1]=4 2123 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,1,0,0,0,0|2,0,0]=4 2124 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,1,0,0,0,0|2,0,0]=4 2125 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,1,0,0,0,0|2,0,0]=4 2126 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,1,0,0,0,0|2,0,0]=4 2127 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,1,0,0,0,0|2,0,0]=4 2128 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,1,0,0,0,0|2,0,0]=4 2129 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [1,1,0,0,0,0|1,0,1]=4 2130 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [1,1,0,0,0,0|1,0,1]=4 2131 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,1,0,0,0,0|0,0,0]=2 2132 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,1,0,0,0,0|0,0,0]=2 2133 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,1,0,0,0,0|1,0,1]=4 2134 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,1,0,0,0,0|1,0,1]=4 2135 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,1,0,0,0,0|1,0,1]=4 2136 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,1,0,0,0,0|0,0,1]=3 2137 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,1,0,0,0,0|0,0,1]=3 2138 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,1,0,0,0,0|0,0,1]=3 2139 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,1,0,0,0,0|0,0,1]=3 2140 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,1,0,0,0,0|0,0,1]=3 2141 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,1,0,0,0,0|1,0,1]=4 2142 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2143 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,1,0,0,0,0|1,0,1]=4 2144 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,1,0,0,0,0|1,0,1]=4 2145 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,1,0,0,0,0|1,0,1]=4 2146 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2147 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,1,0,0,0,0|2,0,0]=4 2148 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,1,0,0,0,0|1,0,1]=4 2149 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,1,0,0,0,0|1,0,1]=4 2150 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,1,0,0,0,0|1,0,1]=4 2151 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,1,0,0,0,0|1,0,1]=4 2152 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,1,0,0,0,0|1,0,1]=4 2153 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,1,0,0,0,0|1,0,1]=4 2154 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,1,0,0,0,0|1,0,1]=4 2155 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,1,0,0,0,0|1,0,1]=4 2156 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,1,0,0,0,0|0,0,1]=3 2157 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,1,0,0,0,0|1,0,1]=4 2158 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,1,0,0,0,0|1,0,1]=4 2159 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,1,0,0,0,0|1,0,1]=4 2160 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,1,0,0,0,0|1,0,1]=4 2161 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,1,0,0,0,0|1,0,1]=4 2162 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,1,0,0,0,0|1,0,1]=4 2163 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,1,0,0,0,0|1,0,1]=4 2164 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,1,0,0,0,0|1,0,1]=4 2165 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,1,0,0,0,0|1,0,1]=4 2166 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,1,0,0,0,0|1,0,1]=4 2167 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,1,0,0,0,0|1,0,1]=4 2168 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,1,0,0,0,0|1,0,0]=3 2169 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,1,0,0,0,0|1,0,0]=3 2170 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,1,0,0,0,0|1,0,1]=4 2171 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,1,0,0,0,0|1,0,1]=4 2172 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [1,1,0,0,0,0|1,0,1]=4 2173 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [1,1,0,0,0,0|1,0,1]=4 2174 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,1,0,0,0,0|0,0,0]=2 2175 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,1,0,0,0,0|0,0,0]=2 2176 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2177 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,1,0,0,0,0|1,0,1]=4 2178 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,1,0,0,0,0|0,0,1]=3 2179 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,1,0,0,0,0|0,0,1]=3 2180 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,1,0,0,0,0|2,0,0]=4 2181 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,1,0,0,0,0|1,0,1]=4 2182 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,1,0,0,0,0|1,0,1]=4 2183 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,1,0,0,0,0|1,0,1]=4 2184 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,1,0,0,0,0|1,0,1]=4 2185 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,1,0,0,0,0|1,0,0]=3 2186 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,1,0,0,0,0|1,0,0]=3 2187 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,1,0,0,0,0|1,0,1]=4 2188 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,1,0,0,0,0|1,0,1]=4 2189 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [1,1,0,0,0,0|1,0,1]=4 2190 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [1,1,0,0,0,0|1,0,1]=4 2191 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,1,0,0,0,0|1,0,0]=3 2192 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,1,0,0,0,0|1,0,1]=4 2193 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,1,0,0,0,0|1,0,0]=3 2194 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,1,0,0,0,0|1,0,0]=3 2195 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,1,0,0,0,0|1,0,0]=3 2196 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,1,0,0,0,0|1,0,0]=3 2197 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,1,0,0,0,0|1,0,1]=4 2198 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,1,0,0,0,0|1,0,0]=3 2199 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,1,0,0,0,0|1,0,0]=3 2200 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,1,0,0,0,0|1,0,0]=3 2201 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,1,0,0,0,0|1,0,0]=3 2202 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,1,0,0,0,0|1,0,1]=4 2203 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,1,0,0,0,0|1,0,1]=4 2204 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,1,0,0,0,0|1,0,1]=4 2205 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,1,0,0,0,0|1,0,1]=4 2206 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,1,0,0,0,0|1,0,1]=4 2207 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,1,0,0,0,0|1,0,1]=4 2208 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,1,0,0,0,0|1,0,1]=4 2209 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,1,0,0,0,0|1,0,1]=4 2210 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,1,0,0,0,0|1,0,1]=4 2211 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,1,0,0,0,0|1,0,1]=4 2212 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,1,0,0,0,0|1,0,1]=4 2213 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,1,0,0,0,0|0,0,1]=3 2214 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,1,0,0,0,0|0,0,1]=3 2215 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,1,0,0,0,0|1,0,1]=4 2216 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,1,0,0,0,0|1,0,1]=4 2217 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,1,0,0,0,0|1,0,1]=4 2218 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,1,0,0,0,0|1,0,1]=4 2219 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,1,0,0,0,0|1,0,1]=4 2220 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,1,0,0,0,0|1,0,1]=4 2221 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,1,0,0,0,0|1,0,1]=4 2222 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [1,1,0,0,0,0|1,0,1]=4 2223 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [1,1,0,0,0,0|1,0,1]=4 2224 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,1,0,0,0,0|0,0,0]=2 2225 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,1,0,0,0,0|0,0,0]=2 2226 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,1,0,0,0,0|1,0,1]=4 2227 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,1,0,0,0,0|1,0,1]=4 2228 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,1,0,0,0,0|0,0,1]=3 2229 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,1,0,0,0,0|0,0,1]=3 2230 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,2,0,0,0,0|2,0,0]=4 2231 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,2,0,0,0,0|2,0,0]=4 2232 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,2,0,0,0,0|1,0,1]=4 2233 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,2,0,0,0,0|1,0,1]=4 2234 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,2,0,0,0,0|1,0,1]=4 2235 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,2,0,0,0,0|1,0,1]=4 2236 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,2,0,0,0,0|0,0,2]=4 2237 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,2,0,0,0,0|2,0,0]=4 2238 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,2,0,0,0,0|2,0,0]=4 2239 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,2,0,0,0,0|2,0,0]=4 2240 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,2,0,0,0,0|2,0,0]=4 2241 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,2,0,0,0,0|2,0,0]=4 2242 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,2,0,0,0,0|2,0,0]=4 2243 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,2,0,0,0,0|2,0,0]=4 2244 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,2,0,0,0,0|2,0,0]=4 2245 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,2,0,0,0,0|2,0,0]=4 2246 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,2,0,0,0,0|2,0,0]=4 2247 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,2,0,0,0,0|2,0,0]=4 2248 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,2,0,0,0,0|1,0,0]=3 2249 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,2,0,0,0,0|2,0,0]=4 2250 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,2,0,0,0,0|2,0,0]=4 2251 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,2,0,0,0,0|2,0,0]=4 2252 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,2,0,0,0,0|2,0,0]=4 2253 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,2,0,0,0,0|2,0,0]=4 2254 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,2,0,0,0,0|2,0,0]=4 2255 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,2,0,0,0,0|2,0,0]=4 2256 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,2,0,0,0,0|2,0,0]=4 2257 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,2,0,0,0,0|0,0,2]=4 2258 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,2,0,0,0,0|0,0,2]=4 2259 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,2,0,0,0,0|0,0,2]=4 2260 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,2,0,0,0,0|2,0,0]=4 2261 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,2,0,0,0,0|2,0,0]=4 2262 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,2,0,0,0,0|2,0,0]=4 2263 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,2,0,0,0,0|2,0,0]=4 2264 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,2,0,0,0,0|2,0,0]=4 2265 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|1,0,0]=3 2266 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|1,0,0]=3 2267 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,2,0,0,0,0|2,0,0]=4 2268 B8R0.5 C=C(F)CN(C)CCC 2230a_100000747261_100009893438 [0,2,0,0,0,0|2,0,0]=4 2269 B8R0.5 C=C(F)CN(C)CCC 269982a_100000747261_100009893438 [0,2,0,0,0,0|2,0,0]=4 2270 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,2,0,0,0,0|0,0,2]=4 2271 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,2,0,0,0,0|0,0,2]=4 2272 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,2,0,0,0,0|0,0,2]=4 2273 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,2,0,0,0,0|2,0,0]=4 2274 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,2,0,0,0,0|2,0,0]=4 2275 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,2,0,0,0,0|1,0,1]=4 2276 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,2,0,0,0,0|1,0,1]=4 2277 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|1,0,0]=3 2278 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|1,0,0]=3 2279 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|1,0,0]=3 2280 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,2,0,0,0,0|0,0,1]=3 2281 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,2,0,0,0,0|1,0,1]=4 2282 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,2,0,0,0,0|1,0,1]=4 2283 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,2,0,0,0,0|1,0,1]=4 2284 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|1,0,0]=3 2285 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|1,0,0]=3 2286 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|1,0,0]=3 2287 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,2,0,0,0,0|1,0,0]=3 2288 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,2,0,0,0,0|1,0,0]=3 2289 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,2,0,0,0,0|1,0,0]=3 2290 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,2,0,0,0,0|1,0,0]=3 2291 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,2,0,0,0,0|1,0,0]=3 2292 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,2,0,0,0,0|1,0,0]=3 2293 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,2,0,0,0,0|1,0,0]=3 2294 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|0,0,0]=2 2295 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,2,0,0,0,0|0,0,1]=3 2296 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,2,0,0,0,0|1,0,1]=4 2297 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,2,0,0,0,0|1,0,1]=4 2298 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,2,0,0,0,0|1,0,1]=4 2299 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,2,0,0,0,0|1,0,1]=4 2300 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,2,0,0,0,0|1,0,1]=4 2301 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,2,0,0,0,0|1,0,1]=4 2302 B8R0.5 CCCN(C)C[N+](=O)[O-] 269982a_100000747261_100000761209 [0,2,0,0,0,0|1,0,1]=4 2303 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,2,0,0,0,0|1,0,0]=3 2304 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,2,0,0,0,0|1,0,0]=3 2305 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|1,0,1]=4 2306 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,2,0,0,0,0|1,0,1]=4 2307 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,2,0,0,0,0|1,0,1]=4 2308 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|1,0,1]=4 2309 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|1,0,1]=4 2310 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|1,0,1]=4 2311 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,2,0,0,0,0|1,0,0]=3 2312 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,2,0,0,0,0|1,0,0]=3 2313 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,2,0,0,0,0|2,0,0]=4 2314 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,2,0,0,0,0|2,0,0]=4 2315 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,2,0,0,0,0|1,0,1]=4 2316 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,2,0,0,0,0|1,0,1]=4 2317 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,2,0,0,0,0|2,0,0]=4 2318 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,2,0,0,0,0|1,0,0]=3 2319 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,2,0,0,0,0|2,0,0]=4 2320 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,2,0,0,0,0|2,0,0]=4 2321 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,2,0,0,0,0|2,0,0]=4 2322 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,2,0,0,0,0|1,0,0]=3 2323 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,2,0,0,0,0|1,0,0]=3 2324 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,2,0,0,0,0|1,0,1]=4 2325 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,2,0,0,0,0|0,0,0]=2 2326 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,2,0,0,0,0|1,0,1]=4 2327 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,2,0,0,0,0|0,0,2]=4 2328 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,2,0,0,0,0|2,0,0]=4 2329 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,2,0,0,0,0|1,0,0]=3 2330 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,2,0,0,0,0|2,0,0]=4 2331 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,2,0,0,0,0|2,0,0]=4 2332 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,2,0,0,0,0|2,0,0]=4 2333 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,2,0,0,0,0|2,0,0]=4 2334 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,2,0,0,0,0|1,0,1]=4 2335 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,2,0,0,0,0|0,0,2]=4 2336 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,2,0,0,0,0|2,0,0]=4 2337 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,2,0,0,0,0|1,0,0]=3 2338 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,2,0,0,0,0|1,0,1]=4 2339 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,2,0,0,0,0|1,0,1]=4 2340 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,2,0,0,0,0|1,0,1]=4 2341 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,2,0,0,0,0|0,0,2]=4 2342 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,2,0,0,0,0|1,0,0]=3 2343 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,2,0,0,0,0|0,0,0]=2 2344 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,2,0,0,0,0|1,0,0]=3 2345 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,2,0,0,0,0|2,0,0]=4 2346 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,2,0,0,0,0|2,0,0]=4 2347 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,2,0,0,0,0|2,0,0]=4 2348 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,2,0,0,0,0|2,0,0]=4 2349 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,2,0,0,0,0|2,0,0]=4 2350 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,2,0,0,0,0|2,0,0]=4 2351 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,2,0,0,0,0|2,0,0]=4 2352 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,2,0,0,0,0|2,0,0]=4 2353 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,2,0,0,0,0|1,0,0]=3 2354 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,2,0,0,0,0|2,0,0]=4 2355 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,2,0,0,0,0|1,0,1]=4 2356 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,2,0,0,0,0|1,0,1]=4 2357 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,2,0,0,0,0|1,0,0]=3 2358 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,2,0,0,0,0|1,0,1]=4 2359 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,2,0,0,0,0|2,0,0]=4 2360 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,2,0,0,0,0|2,0,0]=4 2361 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,2,0,0,0,0|0,0,0]=2 2362 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,2,0,0,0,0|0,0,0]=2 2363 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,2,0,0,0,0|1,0,0]=3 2364 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,2,0,0,0,0|2,0,0]=4 2365 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,2,0,0,0,0|2,0,0]=4 2366 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,2,0,0,0,0|2,0,0]=4 2367 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,2,0,0,0,0|1,0,0]=3 2368 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,2,0,0,0,0|1,0,1]=4 2369 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,2,0,0,0,0|1,0,0]=3 2370 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,2,0,0,0,0|1,0,0]=3 2371 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,2,0,0,0,0|1,0,0]=3 2372 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,2,0,0,0,0|2,0,0]=4 2373 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,2,0,0,0,0|1,0,1]=4 2374 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,2,0,0,0,0|1,0,0]=3 2375 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,2,0,0,0,0|1,0,0]=3 2376 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,2,0,0,0,0|1,0,0]=3 2377 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,2,0,0,0,0|2,0,0]=4 2378 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,2,0,0,0,0|2,0,0]=4 2379 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,2,0,0,0,0|2,0,0]=4 2380 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,2,0,0,0,0|1,0,1]=4 2381 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,2,0,0,0,0|0,0,1]=3 2382 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,2,0,0,0,0|1,0,1]=4 2383 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,2,0,0,0,0|0,0,1]=3 2384 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,2,0,0,0,0|0,0,1]=3 2385 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|1,0,0]=3 2386 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|1,0,0]=3 2387 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,2,0,0,0,0|1,0,0]=3 2388 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,2,0,0,0,0|1,0,0]=3 2389 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,2,0,0,0,0|2,0,0]=4 2390 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,2,0,0,0,0|2,0,0]=4 2391 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|1,0,0]=3 2392 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|2,0,0]=4 2393 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 2394 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 2395 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 2396 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 2397 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,2,0,0,0,0|1,0,0]=3 2398 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,2,0,0,0,0|0,0,0]=2 2399 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,2,0,0,0,0|1,0,0]=3 2400 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 2401 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 2402 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 2403 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,2,0,0,0,0|1,0,0]=3 2404 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,2,0,0,0,0|1,0,0]=3 2405 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,2,0,0,0,0|2,0,0]=4 2406 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,2,0,0,0,0|2,0,0]=4 2407 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,2,0,0,0,0|2,0,0]=4 2408 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,2,0,0,0,0|2,0,0]=4 2409 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,2,0,0,0,0|2,0,0]=4 2410 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,2,0,0,0,0|2,0,0]=4 2411 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,2,0,0,0,0|1,0,0]=3 2412 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,2,0,0,0,0|0,0,0]=2 2413 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,2,0,0,0,0|1,0,0]=3 2414 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,2,0,0,0,0|1,0,0]=3 2415 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,2,0,0,0,0|2,0,0]=4 2416 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,2,0,0,0,0|2,0,0]=4 2417 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,2,0,0,0,0|2,0,0]=4 2418 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,2,0,0,0,0|2,0,0]=4 2419 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,2,0,0,0,0|2,0,0]=4 2420 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,2,0,0,0,0|2,0,0]=4 2421 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,2,0,0,0,0|1,0,0]=3 2422 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,2,0,0,0,0|1,0,0]=3 2423 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,2,0,0,0,0|1,0,0]=3 2424 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,2,0,0,0,0|0,0,0]=2 2425 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,2,0,0,0,0|1,0,1]=4 2426 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,2,0,0,0,0|1,0,1]=4 2427 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,2,0,0,0,0|1,0,0]=3 2428 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,2,0,0,0,0|1,0,0]=3 2429 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,2,0,0,0,0|1,0,0]=3 2430 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,2,0,0,0,0|1,0,1]=4 2431 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,2,0,0,0,0|1,0,1]=4 2432 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,2,0,0,0,0|1,0,0]=3 2433 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,2,0,0,0,0|1,0,0]=3 2434 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,2,0,0,0,0|1,0,0]=3 2435 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,2,0,0,0,0|1,0,0]=3 2436 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,2,0,0,0,0|1,0,0]=3 2437 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,2,0,0,0,0|1,0,0]=3 2438 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,2,0,0,0,0|2,0,0]=4 2439 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,2,0,0,0,0|2,0,0]=4 2440 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,2,0,0,0,0|2,0,0]=4 2441 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,2,0,0,0,0|2,0,0]=4 2442 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,2,0,0,0,0|1,0,0]=3 2443 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,2,0,0,0,0|2,0,0]=4 2444 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,2,0,0,0,0|2,0,0]=4 2445 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,2,0,0,0,0|2,0,0]=4 2446 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,2,0,0,0,0|2,0,0]=4 2447 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,2,0,0,0,0|2,0,0]=4 2448 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,2,0,0,0,0|1,0,1]=4 2449 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,2,0,0,0,0|2,0,0]=4 2450 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,2,0,0,0,0|2,0,0]=4 2451 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,2,0,0,0,0|2,0,0]=4 2452 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,2,0,0,0,0|2,0,0]=4 2453 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,2,0,0,0,0|2,0,0]=4 2454 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,2,0,0,0,0|2,0,0]=4 2455 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,2,0,0,0,0|2,0,0]=4 2456 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,2,0,0,0,0|2,0,0]=4 2457 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,2,0,0,0,0|2,0,0]=4 2458 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,2,0,0,0,0|2,0,0]=4 2459 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,2,0,0,0,0|2,0,0]=4 2460 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,2,0,0,0,0|2,0,0]=4 2461 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,2,0,0,0,0|1,0,0]=3 2462 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,2,0,0,0,0|1,0,1]=4 2463 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,2,0,0,0,0|1,0,1]=4 2464 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,2,0,0,0,0|0,0,2]=4 2465 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,2,0,0,0,0|1,0,0]=3 2466 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,2,0,0,0,0|2,0,0]=4 2467 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,2,0,0,0,0|2,0,0]=4 2468 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,2,0,0,0,0|1,0,0]=3 2469 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,2,0,0,0,0|2,0,0]=4 2470 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,2,0,0,0,0|1,0,1]=4 2471 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,2,0,0,0,0|2,0,0]=4 2472 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,2,0,0,0,0|2,0,0]=4 2473 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,2,0,0,0,0|2,0,0]=4 2474 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,2,0,0,0,0|2,0,0]=4 2475 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,2,0,0,0,0|1,0,1]=4 2476 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,2,0,0,0,0|1,0,0]=3 2477 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,2,0,0,0,0|2,0,0]=4 2478 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,2,0,0,0,0|2,0,0]=4 2479 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,2,0,0,0,0|2,0,0]=4 2480 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,2,0,0,0,0|2,0,0]=4 2481 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,2,0,0,0,0|1,0,1]=4 2482 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,2,0,0,0,0|1,0,1]=4 2483 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,2,0,0,0,0|2,0,0]=4 2484 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,2,0,0,0,0|2,0,0]=4 2485 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,2,0,0,0,0|2,0,0]=4 2486 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,2,0,0,0,0|2,0,0]=4 2487 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,2,0,0,0,0|2,0,0]=4 2488 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,2,0,0,0,0|2,0,0]=4 2489 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,2,0,0,0,0|1,0,1]=4 2490 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,2,0,0,0,0|1,0,1]=4 2491 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,2,0,0,0,0|2,0,0]=4 2492 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,2,0,0,0,0|2,0,0]=4 2493 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,2,0,0,0,0|1,0,1]=4 2494 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,2,0,0,0,0|0,0,2]=4 2495 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,2,0,0,0,0|1,0,1]=4 2496 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,2,0,0,0,0|0,0,2]=4 2497 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,2,0,0,0,0|1,0,1]=4 2498 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,2,0,0,0,0|0,0,2]=4 2499 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,2,0,0,0,0|2,0,0]=4 2500 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,2,0,0,0,0|2,0,0]=4 2501 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,2,0,0,0,0|1,0,0]=3 2502 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,2,0,0,0,0|1,0,0]=3 2503 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,2,0,0,0,0|1,0,0]=3 2504 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 2505 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 2506 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 2507 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,2,0,0,0,0|2,0,0]=4 2508 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,2,0,0,0,0|1,0,0]=3 2509 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,2,0,0,0,0|1,0,0]=3 2510 B8R0.34 CCS(=O)(=O)CC(=O)C 1458a_100000744335_200000210301 [0,2,0,0,0,0|2,0,0]=4 2511 B8R0.34 CCS(=O)(=O)CC(=O)[13CH3] 1458a_100000744335_200025704644 [0,2,0,0,0,0|2,0,0]=4 2512 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,2,0,0,0,0|2,0,0]=4 2513 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,2,0,0,0,0|1,0,0]=3 2514 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,2,0,0,0,0|2,0,0]=4 2515 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,2,0,0,0,0|1,0,0]=3 2516 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,2,0,0,0,0|1,0,0]=3 2517 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,2,0,0,0,0|2,0,0]=4 2518 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,2,0,0,0,0|2,0,0]=4 2519 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,2,0,0,0,0|2,0,0]=4 2520 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,2,0,0,0,0|2,0,0]=4 2521 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,2,0,0,0,0|2,0,0]=4 2522 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,2,0,0,0,0|2,0,0]=4 2523 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,2,0,0,0,0|2,0,0]=4 2524 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,2,0,0,0,0|2,0,0]=4 2525 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,2,0,0,0,0|2,0,0]=4 2526 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,2,0,0,0,0|2,0,0]=4 2527 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,2,0,0,0,0|0,0,2]=4 2528 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,2,0,0,0,0|0,0,2]=4 2529 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,2,0,0,0,0|0,0,2]=4 2530 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,2,0,0,0,0|0,0,2]=4 2531 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,2,0,0,0,0|0,0,2]=4 2532 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,2,0,0,0,0|1,0,0]=3 2533 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,2,0,0,0,0|1,0,0]=3 2534 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,2,0,0,0,0|2,0,0]=4 2535 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,2,0,0,0,0|2,0,0]=4 2536 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,2,0,0,0,0|2,0,0]=4 2537 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,2,0,0,0,0|2,0,0]=4 2538 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,2,0,0,0,0|2,0,0]=4 2539 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,2,0,0,0,0|2,0,0]=4 2540 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,2,0,0,0,0|2,0,0]=4 2541 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,2,0,0,0,0|2,0,0]=4 2542 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,2,0,0,0,0|2,0,0]=4 2543 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,2,0,0,0,0|2,0,0]=4 2544 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,2,0,0,0,0|2,0,0]=4 2545 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,2,0,0,0,0|2,0,0]=4 2546 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,2,0,0,0,0|0,0,2]=4 2547 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,2,0,0,0,0|0,0,2]=4 2548 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,2,0,0,0,0|0,0,2]=4 2549 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,2,0,0,0,0|1,0,0]=3 2550 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,2,0,0,0,0|1,0,0]=3 2551 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,2,0,0,0,0|1,0,0]=3 2552 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,2,0,0,0,0|1,0,0]=3 2553 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,2,0,0,0,0|2,0,0]=4 2554 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,2,0,0,0,0|2,0,0]=4 2555 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,2,0,0,0,0|1,0,0]=3 2556 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,2,0,0,0,0|2,0,0]=4 2557 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,2,0,0,0,0|2,0,0]=4 2558 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,2,0,0,0,0|2,0,0]=4 2559 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,2,0,0,0,0|2,0,0]=4 2560 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,2,0,0,0,0|0,0,2]=4 2561 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,2,0,0,0,0|0,0,2]=4 2562 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,2,0,0,0,0|1,0,0]=3 2563 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,2,0,0,0,0|2,0,0]=4 2564 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,2,0,0,0,0|2,0,0]=4 2565 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,2,0,0,0,0|2,0,0]=4 2566 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,2,0,0,0,0|2,0,0]=4 2567 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,2,0,0,0,0|2,0,0]=4 2568 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,2,0,0,0,0|2,0,0]=4 2569 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,2,0,0,0,0|2,0,0]=4 2570 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,2,0,0,0,0|0,0,2]=4 2571 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,2,0,0,0,0|0,0,2]=4 2572 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,2,0,0,0,0|0,0,2]=4 2573 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,2,0,0,0,0|0,0,2]=4 2574 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,2,0,0,0,0|0,0,2]=4 2575 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,2,0,0,0,0|2,0,0]=4 2576 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,2,0,0,0,0|2,0,0]=4 2577 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,2,0,0,0,0|2,0,0]=4 2578 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,2,0,0,0,0|2,0,0]=4 2579 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,2,0,0,0,0|2,0,0]=4 2580 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,2,0,0,0,0|2,0,0]=4 2581 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,2,0,0,0,0|2,0,0]=4 2582 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,2,0,0,0,0|2,0,0]=4 2583 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,2,0,0,0,0|2,0,0]=4 2584 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,2,0,0,0,0|2,0,0]=4 2585 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,2,0,0,0,0|2,0,0]=4 2586 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,2,0,0,0,0|1,0,0]=3 2587 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,2,0,0,0,0|1,0,0]=3 2588 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,2,0,0,0,0|1,0,0]=3 2589 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,2,0,0,0,0|1,0,0]=3 2590 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,2,0,0,0,0|1,0,0]=3 2591 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,2,0,0,0,0|1,0,0]=3 2592 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,2,0,0,0,0|1,0,0]=3 2593 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,2,0,0,0,0|1,0,0]=3 2594 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,2,0,0,0,0|0,0,0]=2 2595 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,2,0,0,0,0|0,0,0]=2 2596 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,2,0,0,0,0|0,0,0]=2 2597 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,2,0,0,0,0|0,1,0]=3 2598 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 2599 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 2600 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,2,0,0,0,0|1,0,0]=3 2601 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,2,0,0,0,0|1,0,0]=3 2602 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,2,0,0,0,0|1,0,1]=4 2603 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,2,0,0,0,0|1,0,1]=4 2604 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,2,0,0,0,0|1,0,1]=4 2605 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,2,0,0,0,0|1,0,1]=4 2606 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,2,0,0,0,0|1,0,1]=4 2607 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,2,0,0,0,0|1,0,1]=4 2608 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,2,0,0,0,0|1,0,1]=4 2609 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,2,0,0,0,0|1,0,1]=4 2610 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,2,0,0,0,0|1,0,1]=4 2611 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,2,0,0,0,0|2,0,0]=4 2612 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,2,0,0,0,0|2,0,0]=4 2613 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,2,0,0,0,0|2,0,0]=4 2614 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,2,0,0,0,0|2,0,0]=4 2615 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,2,0,0,0,0|2,0,0]=4 2616 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,2,0,0,0,0|2,0,0]=4 2617 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,2,0,0,0,0|2,0,0]=4 2618 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,2,0,0,0,0|2,0,0]=4 2619 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,2,0,0,0,0|2,0,0]=4 2620 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,2,0,0,0,0|2,0,0]=4 2622 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,2,0,0,0,0|2,0,0]=4 2623 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,2,0,0,0,0|1,0,1]=4 2624 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,2,0,0,0,0|1,0,1]=4 2625 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,2,0,0,0,0|2,0,0]=4 2626 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,2,0,0,0,0|2,0,0]=4 2627 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,2,0,0,0,0|2,0,0]=4 2628 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,2,0,0,0,0|2,0,0]=4 2629 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,2,0,0,0,0|2,0,0]=4 2630 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,2,0,0,0,0|2,0,0]=4 2631 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,2,0,0,0,0|2,0,0]=4 2632 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,2,0,0,0,0|2,0,0]=4 2633 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 2634 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 2635 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 2636 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 2637 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,2,0,0,0,0|1,0,0]=3 2638 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,2,0,0,0,0|2,0,0]=4 2639 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,2,0,0,0,0|2,0,0]=4 2640 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,2,0,0,0,0|2,0,0]=4 2641 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,2,0,0,0,0|2,0,0]=4 2642 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,2,0,0,0,0|2,0,0]=4 2643 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,2,0,0,0,0|1,0,0]=3 2644 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,2,0,0,0,0|1,0,0]=3 2645 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,2,0,0,0,0|1,0,0]=3 2646 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,2,0,0,0,0|1,0,0]=3 2647 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,2,0,0,0,0|1,0,0]=3 2648 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,2,0,0,0,0|1,1,0]=4 2649 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,2,0,0,0,0|1,1,0]=4 2650 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,2,0,0,0,0|1,1,0]=4 2651 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,2,0,0,0,0|1,1,0]=4 2652 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,2,0,0,0,0|1,1,0]=4 2653 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,2,0,0,0,0|1,1,0]=4 2654 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,2,0,0,0,0|1,1,0]=4 2655 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,2,0,0,0,0|1,1,0]=4 2656 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,2,0,0,0,0|2,0,0]=4 2657 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,2,0,0,0,0|2,0,0]=4 2658 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,2,0,0,0,0|2,0,0]=4 2659 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,2,0,0,0,0|2,0,0]=4 2660 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,2,0,0,0,0|2,0,0]=4 2661 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,2,0,0,0,0|2,0,0]=4 2662 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,2,0,0,0,0|2,0,0]=4 2663 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,2,0,0,0,0|2,0,0]=4 2664 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,2,0,0,0,0|2,0,0]=4 2665 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,2,0,0,0,0|2,0,0]=4 2666 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,2,0,0,0,0|2,0,0]=4 2667 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,2,0,0,0,0|2,0,0]=4 2668 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,2,0,0,0,0|1,0,0]=3 2669 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,2,0,0,0,0|1,1,0]=4 2670 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,2,0,0,0,0|1,1,0]=4 2671 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,2,0,0,0,0|1,1,0]=4 2672 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,2,0,0,0,0|1,1,0]=4 2673 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,2,0,0,0,0|2,0,0]=4 2674 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,2,0,0,0,0|2,0,0]=4 2675 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,2,0,0,0,0|2,0,0]=4 2676 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,2,0,0,0,0|2,0,0]=4 2677 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,2,0,0,0,0|2,0,0]=4 2678 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,2,0,0,0,0|2,0,0]=4 2679 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,2,0,0,0,0|2,0,0]=4 2680 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,2,0,0,0,0|2,0,0]=4 2681 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,2,0,0,0,0|2,0,0]=4 2682 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,2,0,0,0,0|2,0,0]=4 2683 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,2,0,0,0,0|2,0,0]=4 2684 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,2,0,0,0,0|2,0,0]=4 2685 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,2,0,0,0,0|2,0,0]=4 2686 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,2,0,0,0,0|2,0,0]=4 2687 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,2,0,0,0,0|2,0,0]=4 2688 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,2,0,0,0,0|2,0,0]=4 2689 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,2,0,0,0,0|2,0,0]=4 2690 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,2,0,0,0,0|2,0,0]=4 2691 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,2,0,0,0,0|2,0,0]=4 2692 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,2,0,0,0,0|2,0,0]=4 2693 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,2,0,0,0,0|2,0,0]=4 2694 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,2,0,0,0,0|2,0,0]=4 2695 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,2,0,0,0,0|2,0,0]=4 2696 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,2,0,0,0,0|2,0,0]=4 2697 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,2,0,0,0,0|2,0,0]=4 2698 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,2,0,0,0,0|1,0,0]=3 2699 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,2,0,0,0,0|1,0,0]=3 2700 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,2,0,0,0,0|2,0,0]=4 2701 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,2,0,0,0,0|2,0,0]=4 2702 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,2,0,0,0,0|1,0,0]=3 2703 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,2,0,0,0,0|1,0,0]=3 2704 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,2,0,0,0,0|1,0,0]=3 2705 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,2,0,0,0,0|1,0,0]=3 2706 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,2,0,0,0,0|1,0,0]=3 2707 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,2,0,0,0,0|1,0,0]=3 2708 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,2,0,0,0,0|1,0,0]=3 2709 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,2,0,0,0,0|1,0,0]=3 2710 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,2,0,0,0,0|1,0,0]=3 2711 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,2,0,0,0,0|1,0,0]=3 2712 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,2,0,0,0,0|2,0,0]=4 2713 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,2,0,0,0,0|2,0,0]=4 2714 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,2,0,0,0,0|2,0,0]=4 2715 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,2,0,0,0,0|2,0,0]=4 2716 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,2,0,0,0,0|2,0,0]=4 2717 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,2,0,0,0,0|2,0,0]=4 2718 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,2,0,0,0,0|1,0,0]=3 2719 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,2,0,0,0,0|1,0,0]=3 2720 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,2,0,0,0,0|2,0,0]=4 2721 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,2,0,0,0,0|1,0,0]=3 2722 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,2,0,0,0,0|2,0,0]=4 2723 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,2,0,0,0,0|2,0,0]=4 2724 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,2,0,0,0,0|1,0,0]=3 2725 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,2,0,0,0,0|1,0,0]=3 2726 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,2,0,0,0,0|1,0,0]=3 2727 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,2,0,0,0,0|2,0,0]=4 2728 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,2,0,0,0,0|2,0,0]=4 2729 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,2,0,0,0,0|2,0,0]=4 2730 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,2,0,0,0,0|1,0,1]=4 2731 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,2,0,0,0,0|1,0,0]=3 2732 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,2,0,0,0,0|1,0,0]=3 2733 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|1,0,0]=3 2734 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,2,0,0,0,0|2,0,0]=4 2735 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,2,0,0,0,0|2,0,0]=4 2736 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,2,0,0,0,0|2,0,0]=4 2737 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,2,0,0,0,0|2,0,0]=4 2738 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,2,0,0,0,0|2,0,0]=4 2739 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,2,0,0,0,0|2,0,0]=4 2740 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,2,0,0,0,0|2,0,0]=4 2741 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,2,0,0,0,0|2,0,0]=4 2742 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,2,0,0,0,0|2,0,0]=4 2743 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,2,0,0,0,0|2,0,0]=4 2744 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,2,0,0,0,0|2,0,0]=4 2745 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,2,0,0,0,0|2,0,0]=4 2746 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,2,0,0,0,0|1,0,0]=3 2747 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,2,0,0,0,0|1,0,0]=3 2748 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,2,0,0,0,0|1,0,0]=3 2749 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,2,0,0,0,0|1,1,0]=4 2750 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,2,0,0,0,0|1,1,0]=4 2751 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,2,0,0,0,0|1,1,0]=4 2752 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,2,0,0,0,0|2,0,0]=4 2753 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,2,0,0,0,0|2,0,0]=4 2754 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,2,0,0,0,0|2,0,0]=4 2755 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,2,0,0,0,0|2,0,0]=4 2756 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,2,0,0,0,0|2,0,0]=4 2757 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|1,0,0]=3 2759 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|1,0,0]=3 2760 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,2,0,0,0,0|1,1,0]=4 2761 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,2,0,0,0,0|2,0,0]=4 2762 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,2,0,0,0,0|2,0,0]=4 2763 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,2,0,0,0,0|1,0,1]=4 2764 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,2,0,0,0,0|1,0,1]=4 2765 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,2,0,0,0,0|2,0,0]=4 2766 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,2,0,0,0,0|2,0,0]=4 2767 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,2,0,0,0,0|2,0,0]=4 2768 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,2,0,0,0,0|2,0,0]=4 2769 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,2,0,0,0,0|2,0,0]=4 2770 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,2,0,0,0,0|2,0,0]=4 2771 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,2,0,0,0,0|1,0,0]=3 2772 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,2,0,0,0,0|1,0,0]=3 2773 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,2,0,0,0,0|2,0,0]=4 2774 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,2,0,0,0,0|2,0,0]=4 2775 B8R0.1 O=C(CSCF)NCO 62a_100000185155_100015361967 [0,2,0,0,0,0|2,0,0]=4 2776 B8R0.1 O=C(CSCF)NCO 62a_100015361967_100000185155 [0,2,0,0,0,0|2,0,0]=4 2777 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,2,0,0,0,0|1,0,0]=3 2778 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,2,0,0,0,0|2,0,0]=4 2779 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,2,0,0,0,0|2,0,0]=4 2780 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|1,0,1]=4 2781 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|1,0,1]=4 2782 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|1,0,1]=4 2783 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|1,0,1]=4 2784 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|1,0,1]=4 2785 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|1,0,1]=4 2786 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,2,0,0,0,0|1,0,0]=3 2787 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,2,0,0,0,0|2,0,0]=4 2788 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,2,0,0,0,0|2,0,0]=4 2789 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,2,0,0,0,0|2,0,0]=4 2790 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,2,0,0,0,0|2,0,0]=4 2791 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,2,0,0,0,0|1,0,1]=4 2792 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|1,0,0]=3 2793 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|2,0,0]=4 2794 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|2,0,0]=4 2795 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|2,0,0]=4 2796 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|2,0,0]=4 2797 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|1,0,1]=4 2798 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|1,0,0]=3 2799 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|1,0,0]=3 2800 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|1,0,0]=3 2801 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|0,0,0]=2 2802 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|1,0,0]=3 2803 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 2804 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 2805 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 2806 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,2,0,0,0,0|1,0,1]=4 2807 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,2,0,0,0,0|1,0,1]=4 2808 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,2,0,0,0,0|1,0,1]=4 2809 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,2,0,0,0,0|1,0,1]=4 2810 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 2811 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 2812 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 2813 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 2814 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|1,0,0]=3 2815 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|1,0,0]=3 2816 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 2817 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 2818 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|1,0,0]=3 2819 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,2,0,0,0,0|1,0,0]=3 2820 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|1,0,0]=3 2821 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 2822 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 2823 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 2824 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|2,0,0]=4 2825 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,2,0,0,0,0|2,0,0]=4 2826 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|1,0,0]=3 2827 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,2,0,0,0,0|2,0,0]=4 2828 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,2,0,0,0,0|2,0,0]=4 2829 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,2,0,0,0,0|2,0,0]=4 2830 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|2,0,0]=4 2831 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,2,0,0,0,0|2,0,0]=4 2832 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|2,0,0]=4 2833 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|2,0,0]=4 2834 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|2,0,0]=4 2835 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|2,0,0]=4 2836 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|2,0,0]=4 2837 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,2,0,0,0,0|2,0,0]=4 2838 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|1,0,0]=3 2839 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|1,0,0]=3 2840 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,2,0,0,0,0|2,0,0]=4 2841 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|2,0,0]=4 2842 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|2,0,0]=4 2843 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|2,0,0]=4 2844 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,2,0,0,0,0|2,0,0]=4 2845 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,2,0,0,0,0|2,0,0]=4 2846 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,2,0,0,0,0|2,0,0]=4 2847 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,2,0,0,0,0|2,0,0]=4 2848 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,2,0,0,0,0|2,0,0]=4 2849 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,2,0,0,0,0|2,0,0]=4 2850 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,2,0,0,0,0|2,0,0]=4 2851 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|1,0,0]=3 2852 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|1,0,0]=3 2853 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,2,0,0,0,0|2,0,0]=4 2854 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,2,0,0,0,0|2,0,0]=4 2855 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 2856 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 2857 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,2,0,0,0,0|2,0,0]=4 2858 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,2,0,0,0,0|2,0,0]=4 2859 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,2,0,0,0,0|2,0,0]=4 2860 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,2,0,0,0,0|2,0,0]=4 2861 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,2,0,0,0,0|2,0,0]=4 2862 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,2,0,0,0,0|2,0,0]=4 2863 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,2,0,0,0,0|2,0,0]=4 2864 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,2,0,0,0,0|2,0,0]=4 2865 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,2,0,0,0,0|2,0,0]=4 2866 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,2,0,0,0,0|2,0,0]=4 2867 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|1,0,1]=4 2868 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,2,0,0,0,0|2,0,0]=4 2869 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,2,0,0,0,0|2,0,0]=4 2870 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|1,0,0]=3 2871 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|1,0,1]=4 2872 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|1,0,1]=4 2873 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|1,0,1]=4 2874 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|1,0,1]=4 2875 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|1,0,0]=3 2876 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|1,0,0]=3 2877 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|1,0,0]=3 2878 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|1,0,0]=3 2879 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|1,0,0]=3 2880 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|1,0,0]=3 2881 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|2,0,0]=4 2882 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,2,0,0,0,0|2,0,0]=4 2883 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,2,0,0,0,0|2,0,0]=4 2884 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|1,0,0]=3 2885 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|1,0,0]=3 2886 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|1,0,1]=4 2887 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,2,0,0,0,0|2,0,0]=4 2888 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|1,0,0]=3 2889 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|1,0,0]=3 2890 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|1,0,0]=3 2891 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|1,0,0]=3 2892 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|1,0,0]=3 2893 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,2,0,0,0,0|2,0,0]=4 2894 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|1,0,0]=3 2895 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,2,0,0,0,0|2,0,0]=4 2896 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,2,0,0,0,0|2,0,0]=4 2897 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,2,0,0,0,0|1,0,1]=4 2898 B8R0.6 C#CC(=O)CC#CCC 1458a_100000211873_100009813939 [0,2,0,0,0,0|1,0,1]=4 2899 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,2,0,0,0,0|1,0,1]=4 2900 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,2,0,0,0,0|1,0,1]=4 2901 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,2,0,0,0,0|1,0,0]=3 2902 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,2,0,0,0,0|1,0,0]=3 2903 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,2,0,0,0,0|1,0,0]=3 2904 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,2,0,0,0,0|1,0,0]=3 2905 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,2,0,0,0,0|1,0,0]=3 2906 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,2,0,0,0,0|1,0,0]=3 2907 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,2,0,0,0,0|1,0,1]=4 2908 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,2,0,0,0,0|1,0,1]=4 2909 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,2,0,0,0,0|1,0,1]=4 2910 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,2,0,0,0,0|1,0,1]=4 2911 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,2,0,0,0,0|1,0,1]=4 2912 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,2,0,0,0,0|0,0,1]=3 2913 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,2,0,0,0,0|1,0,1]=4 2914 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,2,0,0,0,0|1,0,1]=4 2915 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,2,0,0,0,0|1,0,1]=4 2916 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,2,0,0,0,0|1,0,1]=4 2917 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,2,0,0,0,0|0,0,2]=4 2918 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,2,0,0,0,0|0,0,2]=4 2919 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,2,0,0,0,0|0,0,2]=4 2920 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,2,0,0,0,0|0,0,2]=4 2921 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,2,0,0,0,0|0,0,2]=4 2922 B8R0.6 C=C(C#N)COCCC 34a_100000210258_100000694840 [0,2,0,0,0,0|2,0,0]=4 2923 B8R0.6 C=C(C#N)CSCCC 62a_100000210303_100000694840 [0,2,0,0,0,0|2,0,0]=4 2924 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,2,0,0,0,0|1,0,1]=4 2925 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,2,0,0,0,0|1,0,1]=4 2926 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,2,0,0,0,0|1,0,1]=4 2927 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,2,0,0,0,0|1,0,0]=3 2928 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,2,0,0,0,0|1,0,0]=3 2929 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,2,0,0,0,0|1,0,0]=3 2930 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,2,0,0,0,0|1,0,0]=3 2931 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,2,0,0,0,0|1,0,0]=3 2932 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,2,0,0,0,0|1,0,0]=3 2933 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,2,0,0,0,0|1,0,0]=3 2934 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,2,0,0,0,0|1,0,0]=3 2935 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,2,0,0,0,0|2,0,0]=4 2936 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,2,0,0,0,0|2,0,0]=4 2937 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,2,0,0,0,0|2,0,0]=4 2938 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,2,0,0,0,0|2,0,0]=4 2939 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,2,0,0,0,0|2,0,0]=4 2940 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,2,0,0,0,0|2,0,0]=4 2941 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,2,0,0,0,0|2,0,0]=4 2942 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,2,0,0,0,0|2,0,0]=4 2943 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,2,0,0,0,0|2,0,0]=4 2944 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,2,0,0,0,0|2,0,0]=4 2945 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,2,0,0,0,0|2,0,0]=4 2946 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,2,0,0,0,0|2,0,0]=4 2947 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,2,0,0,0,0|2,0,0]=4 2948 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,2,0,0,0,0|2,0,0]=4 2949 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,2,0,0,0,0|2,0,0]=4 2950 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,2,0,0,0,0|2,0,0]=4 2951 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,2,0,0,0,0|2,0,0]=4 2952 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,2,0,0,0,0|2,0,0]=4 2953 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,2,0,0,0,0|2,0,0]=4 2954 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,2,0,0,0,0|2,0,0]=4 2955 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,2,0,0,0,0|1,0,1]=4 2956 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,2,0,0,0,0|1,0,1]=4 2957 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,2,0,0,0,0|1,0,1]=4 2958 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,2,0,0,0,0|1,0,1]=4 2959 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|1,0,1]=4 2960 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|1,0,1]=4 2961 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,2,0,0,0,0|1,0,1]=4 2962 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,2,0,0,0,0|0,0,1]=3 2963 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,2,0,0,0,0|1,0,1]=4 2964 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,2,0,0,0,0|1,0,1]=4 2965 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,2,0,0,0,0|1,0,1]=4 2966 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,2,0,0,0,0|1,0,1]=4 2967 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,2,0,0,0,0|0,0,2]=4 2968 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,2,0,0,0,0|0,0,2]=4 2969 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,2,0,0,0,0|0,0,2]=4 2970 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,2,0,0,0,0|0,0,2]=4 2971 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,2,0,0,0,0|0,0,2]=4 2972 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,2,0,0,0,0|0,0,2]=4 2973 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,2,0,0,0,0|0,0,2]=4 2974 B8R0.6 CC#CCNC(=O)CO 527a_100000685387_100000210174 [0,2,0,0,0,0|0,0,2]=4 2975 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,2,0,0,0,0|1,0,1]=4 2976 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,2,0,0,0,0|1,0,1]=4 2977 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,2,0,0,0,0|1,0,1]=4 2978 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,2,0,0,0,0|1,0,1]=4 2979 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,2,0,0,0,0|1,0,1]=4 2980 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,2,0,0,0,0|1,0,1]=4 2981 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,2,0,0,0,0|1,0,1]=4 2982 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,2,0,0,0,0|0,0,1]=3 2983 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,2,0,0,0,0|1,0,1]=4 2984 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,2,0,0,0,0|0,0,1]=3 2985 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,2,0,0,0,0|1,0,1]=4 2986 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,2,0,0,0,0|1,0,1]=4 2987 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,2,0,0,0,0|1,0,0]=3 2988 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|1,0,0]=3 2989 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|1,0,0]=3 2990 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,2,0,0,0,0|1,0,0]=3 2991 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,2,0,0,0,0|1,0,0]=3 2992 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|1,0,0]=3 2993 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,2,0,0,0,0|2,0,0]=4 2994 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,2,0,0,0,0|2,0,0]=4 2995 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,2,0,0,0,0|2,0,0]=4 2996 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,2,0,0,0,0|2,0,0]=4 2997 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,2,0,0,0,0|2,0,0]=4 2998 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,2,0,0,0,0|2,0,0]=4 2999 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,2,0,0,0,0|2,0,0]=4 3000 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,2,0,0,0,0|2,0,0]=4 3001 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,2,0,0,0,0|2,0,0]=4 3002 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,2,0,0,0,0|2,0,0]=4 3003 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,2,0,0,0,0|2,0,0]=4 3004 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,2,0,0,0,0|2,0,0]=4 3005 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,2,0,0,0,0|2,0,0]=4 3006 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,2,0,0,0,0|2,0,0]=4 3007 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,2,0,0,0,0|2,0,0]=4 3008 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,2,0,0,0,0|2,0,0]=4 3009 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,2,0,0,0,0|2,0,0]=4 3010 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,2,0,0,0,0|2,0,0]=4 3011 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,2,0,0,0,0|2,0,0]=4 3012 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,2,0,0,0,0|2,0,0]=4 3013 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,2,0,0,0,0|2,0,0]=4 3014 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,2,0,0,0,0|2,0,0]=4 3015 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,2,0,0,0,0|2,0,0]=4 3016 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,2,0,0,0,0|2,0,0]=4 3017 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,2,0,0,0,0|2,0,0]=4 3018 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,2,0,0,0,0|2,0,0]=4 3019 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,2,0,0,0,0|2,0,0]=4 3020 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,2,0,0,0,0|2,0,0]=4 3021 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,2,0,0,0,0|2,0,0]=4 3022 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,2,0,0,0,0|2,0,0]=4 3023 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,2,0,0,0,0|2,0,0]=4 3024 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,2,0,0,0,0|2,0,0]=4 3025 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,2,0,0,0,0|2,0,0]=4 3026 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,2,0,0,0,0|1,0,1]=4 3027 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,2,0,0,0,0|1,0,1]=4 3028 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,2,0,0,0,0|1,0,1]=4 3029 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,2,0,0,0,0|1,0,1]=4 3030 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,2,0,0,0,0|1,0,1]=4 3031 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,2,0,0,0,0|1,0,1]=4 3032 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,2,0,0,0,0|1,0,1]=4 3033 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,2,0,0,0,0|1,0,1]=4 3034 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|1,0,0]=3 3035 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|1,0,0]=3 3036 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,2,0,0,0,0|1,0,0]=3 3037 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,2,0,0,0,0|0,0,0]=2 3038 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,2,0,0,0,0|1,0,0]=3 3039 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,2,0,0,0,0|1,0,0]=3 3040 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,2,0,0,0,0|1,0,0]=3 3041 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,2,0,0,0,0|1,0,0]=3 3042 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,2,0,0,0,0|1,0,1]=4 3043 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,2,0,0,0,0|1,0,1]=4 3044 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,2,0,0,0,0|1,0,1]=4 3045 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,2,0,0,0,0|1,0,1]=4 3046 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,2,0,0,0,0|1,0,1]=4 3047 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3048 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3049 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3050 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,2,0,0,0,0|1,0,0]=3 3051 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,2,0,0,0,0|0,0,0]=2 3052 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,2,0,0,0,0|0,0,0]=2 3053 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,2,0,0,0,0|1,0,0]=3 3054 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,2,0,0,0,0|1,0,0]=3 3055 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,2,0,0,0,0|1,0,0]=3 3056 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,2,0,0,0,0|1,0,0]=3 3057 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,2,0,0,0,0|1,0,0]=3 3058 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,2,0,0,0,0|1,0,0]=3 3059 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,2,0,0,0,0|1,0,1]=4 3060 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,2,0,0,0,0|1,0,1]=4 3061 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,2,0,0,0,0|1,0,1]=4 3062 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,2,0,0,0,0|1,0,1]=4 3063 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,2,0,0,0,0|1,0,1]=4 3064 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,2,0,0,0,0|1,0,1]=4 3065 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,2,0,0,0,0|1,0,1]=4 3066 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,2,0,0,0,0|1,0,1]=4 3067 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,2,0,0,0,0|1,0,1]=4 3068 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,2,0,0,0,0|1,0,1]=4 3069 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,2,0,0,0,0|1,0,0]=3 3070 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,2,0,0,0,0|1,0,1]=4 3071 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,2,0,0,0,0|1,0,1]=4 3072 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,2,0,0,0,0|1,0,1]=4 3073 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,2,0,0,0,0|1,0,1]=4 3074 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,2,0,0,0,0|0,0,2]=4 3075 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [0,2,0,0,0,0|2,0,0]=4 3076 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,2,0,0,0,0|2,0,0]=4 3077 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,2,0,0,0,0|1,0,0]=3 3078 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,2,0,0,0,0|2,0,0]=4 3079 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,2,0,0,0,0|2,0,0]=4 3080 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,2,0,0,0,0|2,0,0]=4 3081 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|1,0,0]=3 3082 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|1,0,0]=3 3083 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,2,0,0,0,0|1,0,0]=3 3084 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,2,0,0,0,0|1,0,0]=3 3085 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,2,0,0,0,0|1,0,0]=3 3086 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,2,0,0,0,0|1,0,0]=3 3087 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,2,0,0,0,0|1,0,0]=3 3088 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,2,0,0,0,0|1,0,0]=3 3089 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,2,0,0,0,0|1,0,0]=3 3090 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,2,0,0,0,0|0,0,0]=2 3091 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,2,0,0,0,0|1,0,1]=4 3092 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,2,0,0,0,0|1,0,1]=4 3093 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,2,0,0,0,0|0,0,2]=4 3094 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,2,0,0,0,0|1,0,1]=4 3095 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,2,0,0,0,0|1,0,1]=4 3096 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,2,0,0,0,0|0,0,2]=4 3097 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|1,0,0]=3 3098 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|1,0,0]=3 3099 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|1,0,0]=3 3100 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,2,0,0,0,0|1,0,0]=3 3101 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,2,0,0,0,0|1,0,0]=3 3102 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,2,0,0,0,0|1,0,0]=3 3103 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,2,0,0,0,0|1,0,0]=3 3104 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,2,0,0,0,0|1,0,0]=3 3105 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,2,0,0,0,0|1,0,0]=3 3106 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,2,0,0,0,0|1,0,0]=3 3107 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,2,0,0,0,0|0,0,0]=2 3108 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,2,0,0,0,0|0,0,0]=2 3109 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,2,0,0,0,0|1,0,1]=4 3110 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,2,0,0,0,0|1,0,1]=4 3111 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,2,0,0,0,0|0,0,2]=4 3112 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,2,0,0,0,0|0,0,2]=4 3113 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,2,0,0,0,0|1,0,1]=4 3114 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,2,0,0,0,0|1,0,1]=4 3115 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,2,0,0,0,0|1,0,1]=4 3116 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,2,0,0,0,0|1,0,1]=4 3117 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,2,0,0,0,0|0,0,2]=4 3118 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,2,0,0,0,0|0,0,2]=4 3119 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,2,0,0,0,0|1,0,0]=3 3120 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,2,0,0,0,0|1,0,0]=3 3121 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,2,0,0,0,0|1,0,0]=3 3122 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,2,0,0,0,0|0,0,0]=2 3123 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,2,0,0,0,0|1,0,1]=4 3124 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,2,0,0,0,0|1,0,1]=4 3125 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,2,0,0,0,0|1,0,1]=4 3126 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,2,0,0,0,0|1,0,0]=3 3127 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|1,0,0]=3 3128 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|1,0,0]=3 3129 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,2,0,0,0,0|1,0,0]=3 3130 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,2,0,0,0,0|0,0,0]=2 3131 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,2,0,0,0,0|1,0,0]=3 3132 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,2,0,0,0,0|1,0,0]=3 3133 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,2,0,0,0,0|1,0,0]=3 3134 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,2,0,0,0,0|1,0,0]=3 3135 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,2,0,0,0,0|1,0,0]=3 3136 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,2,0,0,0,0|1,0,0]=3 3137 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,2,0,0,0,0|0,0,0]=2 3138 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,2,0,0,0,0|1,0,1]=4 3139 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,2,0,0,0,0|1,0,0]=3 3140 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,2,0,0,0,0|1,0,0]=3 3141 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,2,0,0,0,0|1,0,0]=3 3142 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,2,0,0,0,0|0,0,0]=2 3143 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,2,0,0,0,0|1,0,0]=3 3144 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,2,0,0,0,0|1,0,0]=3 3145 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,2,0,0,0,0|1,0,0]=3 3146 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,2,0,0,0,0|1,0,0]=3 3147 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,2,0,0,0,0|1,0,0]=3 3148 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,2,0,0,0,0|1,0,0]=3 3149 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,2,0,0,0,0|0,0,0]=2 3150 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,2,0,0,0,0|0,0,0]=2 3151 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,2,0,0,0,0|1,0,0]=3 3152 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,2,0,0,0,0|1,0,1]=4 3153 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,2,0,0,0,0|1,0,1]=4 3154 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,2,0,0,0,0|1,0,1]=4 3155 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,2,0,0,0,0|1,0,1]=4 3156 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,2,0,0,0,0|1,0,0]=3 3157 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,2,0,0,0,0|1,0,0]=3 3158 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,2,0,0,0,0|1,0,0]=3 3159 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,2,0,0,0,0|1,0,0]=3 3160 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,2,0,0,0,0|1,0,0]=3 3161 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,2,0,0,0,0|1,0,0]=3 3162 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,2,0,0,0,0|1,0,0]=3 3163 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,2,0,0,0,0|1,0,0]=3 3164 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,2,0,0,0,0|1,0,0]=3 3165 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,2,0,0,0,0|1,0,0]=3 3166 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,2,0,0,0,0|1,0,0]=3 3167 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,2,0,0,0,0|1,0,0]=3 3168 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,2,0,0,0,0|1,0,0]=3 3169 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,2,0,0,0,0|1,0,0]=3 3170 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,2,0,0,0,0|1,0,0]=3 3171 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,2,0,0,0,0|1,0,0]=3 3172 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,2,0,0,0,0|2,0,0]=4 3173 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,2,0,0,0,0|2,0,0]=4 3174 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,2,0,0,0,0|2,0,0]=4 3175 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,2,0,0,0,0|2,0,0]=4 3176 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,2,0,0,0,0|2,0,0]=4 3177 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,2,0,0,0,0|2,0,0]=4 3178 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,2,0,0,0,0|2,0,0]=4 3179 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,2,0,0,0,0|2,0,0]=4 3180 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,2,0,0,0,0|2,0,0]=4 3181 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,2,0,0,0,0|2,0,0]=4 3182 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,2,0,0,0,0|2,0,0]=4 3183 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,2,0,0,0,0|2,0,0]=4 3184 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,2,0,0,0,0|2,0,0]=4 3185 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,2,0,0,0,0|2,0,0]=4 3186 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,2,0,0,0,0|2,0,0]=4 3187 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,2,0,0,0,0|2,0,0]=4 3188 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,2,0,0,0,0|2,0,0]=4 3189 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,2,0,0,0,0|2,0,0]=4 3190 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,2,0,0,0,0|2,0,0]=4 3191 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,2,0,0,0,0|2,0,0]=4 3192 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,2,0,0,0,0|2,0,0]=4 3193 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,2,0,0,0,0|2,0,0]=4 3194 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,2,0,0,0,0|2,0,0]=4 3195 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,2,0,0,0,0|2,0,0]=4 3196 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,2,0,0,0,0|2,0,0]=4 3197 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,2,0,0,0,0|2,0,0]=4 3198 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,2,0,0,0,0|2,0,0]=4 3199 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,2,0,0,0,0|2,0,0]=4 3200 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,2,0,0,0,0|2,0,0]=4 3201 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,2,0,0,0,0|2,0,0]=4 3202 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,2,0,0,0,0|2,0,0]=4 3203 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,2,0,0,0,0|2,0,0]=4 3204 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,2,0,0,0,0|2,0,0]=4 3205 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,2,0,0,0,0|2,0,0]=4 3206 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,2,0,0,0,0|2,0,0]=4 3207 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,2,0,0,0,0|2,0,0]=4 3208 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,2,0,0,0,0|2,0,0]=4 3209 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,2,0,0,0,0|2,0,0]=4 3210 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,2,0,0,0,0|2,0,0]=4 3211 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,2,0,0,0,0|2,0,0]=4 3212 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,2,0,0,0,0|2,0,0]=4 3213 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,2,0,0,0,0|2,0,0]=4 3214 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,2,0,0,0,0|2,0,0]=4 3215 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,2,0,0,0,0|2,0,0]=4 3216 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,2,0,0,0,0|2,0,0]=4 3217 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,2,0,0,0,0|2,0,0]=4 3218 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,2,0,0,0,0|2,0,0]=4 3219 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,2,0,0,0,0|2,0,0]=4 3220 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,2,0,0,0,0|2,0,0]=4 3221 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,2,0,0,0,0|2,0,0]=4 3222 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,2,0,0,0,0|2,0,0]=4 3223 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,2,0,0,0,0|0,0,2]=4 3224 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,2,0,0,0,0|0,0,2]=4 3225 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,2,0,0,0,0|0,0,2]=4 3226 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,2,0,0,0,0|1,0,0]=3 3227 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,2,0,0,0,0|1,0,0]=3 3228 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,2,0,0,0,0|1,0,0]=3 3229 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,2,0,0,0,0|1,0,0]=3 3230 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,2,0,0,0,0|1,0,0]=3 3231 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,2,0,0,0,0|0,0,0]=2 3232 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,2,0,0,0,0|0,0,0]=2 3233 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,2,0,0,0,0|0,0,0]=2 3234 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,2,0,0,0,0|2,0,0]=4 3235 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,2,0,0,0,0|2,0,0]=4 3236 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,2,0,0,0,0|2,0,0]=4 3237 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,2,0,0,0,0|0,0,2]=4 3238 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,2,0,0,0,0|0,0,2]=4 3239 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,2,0,0,0,0|0,0,2]=4 3240 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,2,0,0,0,0|0,0,2]=4 3241 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,2,0,0,0,0|0,0,0]=2 3242 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,2,0,0,0,0|0,0,0]=2 3243 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,2,0,0,0,0|0,0,0]=2 3244 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,2,0,0,0,0|0,0,0]=2 3245 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,2,0,0,0,0|1,0,0]=3 3246 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,2,0,0,0,0|1,0,0]=3 3247 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,2,0,0,0,0|1,0,0]=3 3248 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,2,0,0,0,0|1,0,0]=3 3249 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,2,0,0,0,0|1,0,0]=3 3250 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,2,0,0,0,0|1,0,0]=3 3251 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,2,0,0,0,0|1,0,0]=3 3252 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,2,0,0,0,0|1,0,1]=4 3253 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,2,0,0,0,0|1,0,1]=4 3254 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,2,0,0,0,0|1,0,1]=4 3255 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,2,0,0,0,0|1,0,1]=4 3256 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,2,0,0,0,0|1,0,0]=3 3257 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,2,0,0,0,0|1,0,0]=3 3258 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,2,0,0,0,0|1,0,0]=3 3259 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,2,0,0,0,0|1,0,0]=3 3260 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,2,0,0,0,0|1,0,0]=3 3261 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,2,0,0,0,0|1,0,0]=3 3262 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,2,0,0,0,0|1,0,0]=3 3263 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,2,0,0,0,0|1,0,0]=3 3264 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,2,0,0,0,0|2,0,0]=4 3265 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,2,0,0,0,0|0,0,2]=4 3266 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,2,0,0,0,0|1,0,0]=3 3267 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,2,0,0,0,0|0,0,0]=2 3268 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,2,0,0,0,0|1,0,0]=3 3269 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,2,0,0,0,0|0,0,0]=2 3270 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,2,0,0,0,0|1,0,1]=4 3271 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,2,0,0,0,0|1,0,1]=4 3272 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,2,0,0,0,0|1,0,1]=4 3273 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,2,0,0,0,0|1,0,1]=4 3274 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,2,0,0,0,0|1,0,0]=3 3275 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,2,0,0,0,0|1,0,0]=3 3276 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,2,0,0,0,0|1,0,0]=3 3277 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,2,0,0,0,0|1,0,0]=3 3278 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,2,0,0,0,0|1,0,0]=3 3279 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,2,0,0,0,0|1,0,0]=3 3280 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,2,0,0,0,0|1,0,0]=3 3281 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,2,0,0,0,0|1,0,0]=3 3282 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,2,0,0,0,0|1,0,0]=3 3283 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,2,0,0,0,0|1,0,1]=4 3284 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,2,0,0,0,0|0,0,1]=3 3285 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,2,0,0,0,0|1,0,1]=4 3286 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,2,0,0,0,0|1,0,1]=4 3287 B8R0.6 NC(=NO)CCOCF 34a_100000749954_100015361967 [0,2,0,0,0,0|2,0,0]=4 3288 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,2,0,0,0,0|1,0,0]=3 3289 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,2,0,0,0,0|2,0,0]=4 3290 B8R0.6 O=C(CO)CC#CCO 1458a_100000210174_200000047223 [0,2,0,0,0,0|0,0,2]=4 3291 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,2,0,0,0,0|0,0,0]=2 3292 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,2,0,0,0,0|0,0,0]=2 3293 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,2,0,0,0,0|1,0,0]=3 3294 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,2,0,0,0,0|1,0,0]=3 3295 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,2,0,0,0,0|1,0,0]=3 3296 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,2,0,0,0,0|1,0,0]=3 3297 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,2,0,0,0,0|2,0,0]=4 3298 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,2,0,0,0,0|1,0,0]=3 3299 B8R0.8 C#CCCC(=O)C(O)O 1458a_100000233687_100000753159 [0,2,0,0,0,0|0,0,2]=4 3300 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,2,0,0,0,0|0,0,2]=4 3301 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,2,0,0,0,0|0,0,2]=4 3302 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,2,0,0,0,0|0,0,2]=4 3303 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [0,2,0,0,0,0|0,0,2]=4 3304 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,2,0,0,0,0|0,0,2]=4 3305 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,2,0,0,0,0|0,0,2]=4 3306 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,2,0,0,0,0|2,0,0]=4 3307 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,2,0,0,0,0|2,0,0]=4 3308 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,2,0,0,0,0|1,0,0]=3 3309 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,2,0,0,0,0|2,0,0]=4 3310 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,2,0,0,0,0|2,0,0]=4 3311 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,2,0,0,0,0|2,0,0]=4 3312 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,2,0,0,0,0|2,0,0]=4 3313 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,2,0,0,0,0|2,0,0]=4 3314 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,2,0,0,0,0|2,0,0]=4 3315 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,2,0,0,0,0|2,0,0]=4 3316 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,2,0,0,0,0|2,0,0]=4 3317 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,2,0,0,0,0|2,0,0]=4 3318 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,2,0,0,0,0|2,0,0]=4 3319 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,2,0,0,0,0|2,0,0]=4 3320 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [0,2,0,0,0,0|0,0,2]=4 3321 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,2,0,0,0,0|0,0,2]=4 3322 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,2,0,0,0,0|0,0,2]=4 3323 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,2,0,0,0,0|0,0,2]=4 3324 B8R0.8 CC#CCC(=O)C(O)O 1458a_100000233687_100000748600 [0,2,0,0,0,0|0,0,2]=4 3325 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,2,0,0,0,0|0,0,2]=4 3326 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,2,0,0,0,0|0,0,2]=4 3327 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,2,0,0,0,0|2,0,0]=4 3328 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,2,0,0,0,0|2,0,0]=4 3329 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,2,0,0,0,0|2,0,0]=4 3330 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,2,0,0,0,0|2,0,0]=4 3331 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,2,0,0,0,0|2,0,0]=4 3332 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,2,0,0,0,0|2,0,0]=4 3333 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,2,0,0,0,0|2,0,0]=4 3334 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,2,0,0,0,0|2,0,0]=4 3335 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,2,0,0,0,0|2,0,0]=4 3336 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,2,0,0,0,0|2,0,0]=4 3337 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,2,0,0,0,0|2,0,0]=4 3338 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,2,0,0,0,0|2,0,0]=4 3339 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,2,0,0,0,0|2,0,0]=4 3340 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,2,0,0,0,0|1,0,0]=3 3341 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,2,0,0,0,0|2,0,0]=4 3342 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,2,0,0,0,0|2,0,0]=4 3343 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,2,0,0,0,0|2,0,0]=4 3344 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,2,0,0,0,0|2,0,0]=4 3345 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,2,0,0,0,0|2,0,0]=4 3346 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,2,0,0,0,0|2,0,0]=4 3347 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,2,0,0,0,0|2,0,0]=4 3348 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,2,0,0,0,0|2,0,0]=4 3349 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,2,0,0,0,0|2,0,0]=4 3350 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,2,0,0,0,0|2,0,0]=4 3351 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,2,0,0,0,0|2,0,0]=4 3352 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [0,2,0,0,0,0|0,0,2]=4 3353 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,2,0,0,0,0|0,0,2]=4 3354 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,2,0,0,0,0|0,0,2]=4 3355 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|1,0,1]=4 3356 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|1,0,1]=4 3357 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,2,0,0,0,0|1,0,0]=3 3358 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,2,0,0,0,0|1,0,0]=3 3359 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,2,0,0,0,0|1,0,0]=3 3360 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,2,0,0,0,0|0,0,0]=2 3361 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,2,0,0,0,0|1,0,0]=3 3362 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,2,0,0,0,0|1,0,0]=3 3363 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,2,0,0,0,0|1,0,0]=3 3364 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,2,0,0,0,0|1,0,0]=3 3365 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|0,0,0]=2 3366 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|0,0,0]=2 3367 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|1,0,0]=3 3368 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|1,0,0]=3 3369 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|1,0,0]=3 3370 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|0,0,1]=3 3371 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|0,0,1]=3 3372 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,2,0,0,0,0|1,0,0]=3 3373 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,2,0,0,0,0|1,0,0]=3 3374 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,2,0,0,0,0|1,0,0]=3 3375 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,2,0,0,0,0|1,0,0]=3 3376 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|1,0,1]=4 3377 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,2,0,0,0,0|1,0,1]=4 3378 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|1,0,1]=4 3379 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,2,0,0,0,0|2,0,0]=4 3380 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,2,0,0,0,0|2,0,0]=4 3381 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,2,0,0,0,0|2,0,0]=4 3382 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,2,0,0,0,0|2,0,0]=4 3383 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,2,0,0,0,0|2,0,0]=4 3384 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,2,0,0,0,0|2,0,0]=4 3385 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,2,0,0,0,0|2,0,0]=4 3386 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,2,0,0,0,0|2,0,0]=4 3387 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3388 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3389 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3390 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,2,0,0,0,0|2,0,0]=4 3391 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,2,0,0,0,0|1,0,0]=3 3392 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,2,0,0,0,0|2,0,0]=4 3393 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|1,0,0]=3 3394 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|1,0,0]=3 3395 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|1,0,0]=3 3396 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|0,0,0]=2 3397 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,2,0,0,0,0|1,0,0]=3 3398 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,2,0,0,0,0|1,0,0]=3 3399 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,2,0,0,0,0|1,0,0]=3 3400 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,2,0,0,0,0|1,0,0]=3 3401 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,2,0,0,0,0|1,0,0]=3 3402 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,2,0,0,0,0|0,0,1]=3 3403 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,2,0,0,0,0|0,0,1]=3 3404 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,2,0,0,0,0|1,0,0]=3 3405 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,2,0,0,0,0|1,0,0]=3 3406 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|1,0,0]=3 3407 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|1,0,0]=3 3408 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,2,0,0,0,0|1,0,0]=3 3409 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,2,0,0,0,0|1,0,0]=3 3410 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,2,0,0,0,0|1,0,0]=3 3411 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,2,0,0,0,0|1,0,0]=3 3412 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,2,0,0,0,0|0,0,1]=3 3413 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,2,0,0,0,0|0,0,1]=3 3414 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,2,0,0,0,0|2,0,0]=4 3415 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,2,0,0,0,0|2,0,0]=4 3416 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,2,0,0,0,0|2,0,0]=4 3417 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|0,0,0]=2 3418 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|0,0,0]=2 3419 B8R0.8 CCNNC(=O)C(O)O 22a_100000756455_100000233687 [0,2,0,0,0,0|2,0,0]=4 3420 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,2,0,0,0,0|2,0,0]=4 3421 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,2,0,0,0,0|2,0,0]=4 3422 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|1,0,1]=4 3423 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,2,0,0,0,0|2,0,0]=4 3424 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,2,0,0,0,0|2,0,0]=4 3425 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,2,0,0,0,0|2,0,0]=4 3426 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,2,0,0,0,0|2,0,0]=4 3427 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,2,0,0,0,0|2,0,0]=4 3428 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,2,0,0,0,0|2,0,0]=4 3429 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,2,0,0,0,0|2,0,0]=4 3430 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,2,0,0,0,0|1,0,0]=3 3431 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,2,0,0,0,0|1,0,0]=3 3432 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [0,2,0,0,0,0|1,0,1]=4 3433 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [0,2,0,0,0,0|1,0,1]=4 3434 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|1,0,0]=3 3435 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|1,0,1]=4 3436 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|1,0,1]=4 3437 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,2,0,0,0,0|2,0,0]=4 3438 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,2,0,0,0,0|2,0,0]=4 3439 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,2,0,0,0,0|2,0,0]=4 3440 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,2,0,0,0,0|2,0,0]=4 3441 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,2,0,0,0,0|2,0,0]=4 3442 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,2,0,0,0,0|2,0,0]=4 3443 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,2,0,0,0,0|2,0,0]=4 3444 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,2,0,0,0,0|2,0,0]=4 3445 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,2,0,0,0,0|2,0,0]=4 3446 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,2,0,0,0,0|2,0,0]=4 3447 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,2,0,0,0,0|2,0,0]=4 3448 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,2,0,0,0,0|2,0,0]=4 3449 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,2,0,0,0,0|2,0,0]=4 3450 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,2,0,0,0,0|2,0,0]=4 3451 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,2,0,0,0,0|2,0,0]=4 3452 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,2,0,0,0,0|2,0,0]=4 3453 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,2,0,0,0,0|2,0,0]=4 3454 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,2,0,0,0,0|2,0,0]=4 3455 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,2,0,0,0,0|2,0,0]=4 3456 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,2,0,0,0,0|1,0,0]=3 3457 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3458 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3459 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3460 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,2,0,0,0,0|2,0,0]=4 3461 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,2,0,0,0,0|2,0,0]=4 3462 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|1,0,0]=3 3463 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|1,0,0]=3 3464 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,2,0,0,0,0|2,0,0]=4 3465 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,2,0,0,0,0|2,0,0]=4 3466 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,2,0,0,0,0|2,0,0]=4 3467 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,2,0,0,0,0|2,0,0]=4 3468 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|1,0,0]=3 3469 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,2,0,0,0,0|2,0,0]=4 3470 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,2,0,0,0,0|2,0,0]=4 3471 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,2,0,0,0,0|2,0,0]=4 3472 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,2,0,0,0,0|2,0,0]=4 3473 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,2,0,0,0,0|2,0,0]=4 3474 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,2,0,0,0,0|2,0,0]=4 3475 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,2,0,0,0,0|2,0,0]=4 3476 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,2,0,0,0,0|1,0,1]=4 3477 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,2,0,0,0,0|1,0,1]=4 3478 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,2,0,0,0,0|2,0,0]=4 3479 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,2,0,0,0,0|2,0,0]=4 3480 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,2,0,0,0,0|2,0,0]=4 3481 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,2,0,0,0,0|1,0,0]=3 3482 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3483 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3484 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3485 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,2,0,0,0,0|2,0,0]=4 3486 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,2,0,0,0,0|2,0,0]=4 3487 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,2,0,0,0,0|2,0,0]=4 3488 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|1,0,0]=3 3489 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|1,0,0]=3 3490 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,2,0,0,0,0|1,0,0]=3 3491 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,2,0,0,0,0|1,0,0]=3 3492 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,2,0,0,0,0|2,0,0]=4 3493 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,2,0,0,0,0|2,0,0]=4 3494 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,2,0,0,0,0|2,0,0]=4 3495 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,2,0,0,0,0|2,0,0]=4 3496 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|1,0,0]=3 3497 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,2,0,0,0,0|2,0,0]=4 3498 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,2,0,0,0,0|2,0,0]=4 3499 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,2,0,0,0,0|2,0,0]=4 3500 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,2,0,0,0,0|2,0,0]=4 3501 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,2,0,0,0,0|2,0,0]=4 3502 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,2,0,0,0,0|2,0,0]=4 3503 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,2,0,0,0,0|2,0,0]=4 3504 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,2,0,0,0,0|2,0,0]=4 3505 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,2,0,0,0,0|2,0,0]=4 3506 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,2,0,0,0,0|2,0,0]=4 3507 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,2,0,0,0,0|1,0,1]=4 3508 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,2,0,0,0,0|1,0,1]=4 3509 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,2,0,0,0,0|2,0,0]=4 3510 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,2,0,0,0,0|2,0,0]=4 3511 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,2,0,0,0,0|2,0,0]=4 3512 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,2,0,0,0,0|2,0,0]=4 3513 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,2,0,0,0,0|1,0,1]=4 3514 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|1,0,0]=3 3515 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|1,0,0]=3 3516 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,2,0,0,0,0|2,0,0]=4 3517 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|2,0,0]=4 3518 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,2,0,0,0,0|2,0,0]=4 3519 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,2,0,0,0,0|2,0,0]=4 3520 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,2,0,0,0,0|2,0,0]=4 3521 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,2,0,0,0,0|2,0,0]=4 3522 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,2,0,0,0,0|1,0,1]=4 3523 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,2,0,0,0,0|1,0,1]=4 3524 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|1,0,0]=3 3525 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|1,0,0]=3 3526 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,2,0,0,0,0|1,0,1]=4 3527 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|1,0,0]=3 3528 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|1,0,0]=3 3529 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,2,0,0,0,0|2,0,0]=4 3530 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,2,0,0,0,0|2,0,0]=4 3531 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|2,0,0]=4 3532 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,2,0,0,0,0|1,0,1]=4 3533 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,2,0,0,0,0|1,0,1]=4 3534 B8R0.8 N#CCCC(=O)C(O)O 1458a_100000233687_100011215226 [0,2,0,0,0,0|1,0,1]=4 3535 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,2,0,0,0,0|2,0,0]=4 3536 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,2,0,0,0,0|2,0,0]=4 3537 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,2,0,0,0,0|2,0,0]=4 3538 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 3539 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,2,0,0,0,0|2,0,0]=4 3540 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,2,0,0,0,0|2,0,0]=4 3541 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 3542 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,2,0,0,0,0|2,0,0]=4 3543 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,2,0,0,0,0|2,0,0]=4 3544 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,2,0,0,0,0|2,0,0]=4 3545 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,2,0,0,0,0|1,0,1]=4 3546 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,2,0,0,0,0|1,0,0]=3 3547 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,2,0,0,0,0|1,0,0]=3 3548 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,2,0,0,0,0|2,0,0]=4 3549 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,2,0,0,0,0|2,0,0]=4 3550 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,2,0,0,0,0|1,0,0]=3 3551 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,2,0,0,0,0|1,0,1]=4 3552 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,2,0,0,0,0|1,0,1]=4 3553 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,2,0,0,0,0|1,0,1]=4 3554 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,2,0,0,0,0|1,0,1]=4 3555 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,2,0,0,0,0|1,0,1]=4 3556 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,2,0,0,0,0|1,0,1]=4 3557 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,2,0,0,0,0|1,0,1]=4 3558 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,2,0,0,0,0|1,0,1]=4 3559 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,2,0,0,0,0|1,0,0]=3 3560 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,2,0,0,0,0|1,0,0]=3 3561 B8R0.9 C#CC(C)NCC(=O)N 2230a_100000707721_100000747473 [0,2,0,0,0,0|2,0,0]=4 3562 B8R0.9 C#CC(C)NCC(=O)N 34a_100000707721_100000187820 [0,2,0,0,0,0|2,0,0]=4 3563 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,2,0,0,0,0|1,0,0]=3 3564 B8R0.9 C#CC(C)NCC(=O)[O-] 34a_100000707721_100020667443 [0,2,0,0,0,0|1,0,1]=4 3565 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [0,2,0,0,0,0|2,0,0]=4 3566 B8R0.9 C#CC(C)SCC(=O)N 62a_200000035995_100000747473 [0,2,0,0,0,0|2,0,0]=4 3567 B8R0.9 C#CC(C)SCC(=O)[O-] 62a_200000035995_100020667443 [0,2,0,0,0,0|1,0,1]=4 3568 B8R0.9 C#C[C@@H](C)OCC(=O)N 34a_100009815206_100000187820 [0,2,0,0,0,0|2,0,0]=4 3569 B8R0.9 C#C[C@@H](C)OCC(=O)N 7a_100009815206_100000187820 [0,2,0,0,0,0|2,0,0]=4 3570 B8R0.9 C#C[C@@H](C)OCC(=O)[O-] 34a_100009815206_100020667443 [0,2,0,0,0,0|1,0,1]=4 3571 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,2,0,0,0,0|1,0,1]=4 3572 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,2,0,0,0,0|1,0,1]=4 3573 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,2,0,0,0,0|1,0,1]=4 3574 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,2,0,0,0,0|0,0,1]=3 3575 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,2,0,0,0,0|1,0,1]=4 3576 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,2,0,0,0,0|1,0,1]=4 3577 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,2,0,0,0,0|1,0,1]=4 3578 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,2,0,0,0,0|1,0,1]=4 3579 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,2,0,0,0,0|2,0,0]=4 3580 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,2,0,0,0,0|2,0,0]=4 3581 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,2,0,0,0,0|2,0,0]=4 3582 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,2,0,0,0,0|1,0,1]=4 3583 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,2,0,0,0,0|1,0,1]=4 3584 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,2,0,0,0,0|2,0,0]=4 3585 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,2,0,0,0,0|2,0,0]=4 3586 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,2,0,0,0,0|2,0,0]=4 3587 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,2,0,0,0,0|2,0,0]=4 3588 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,2,0,0,0,0|2,0,0]=4 3589 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,2,0,0,0,0|2,0,0]=4 3590 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,2,0,0,0,0|2,0,0]=4 3591 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,2,0,0,0,0|2,0,0]=4 3592 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,2,0,0,0,0|2,0,0]=4 3593 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,2,0,0,0,0|2,0,0]=4 3594 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,2,0,0,0,0|1,0,1]=4 3595 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,2,0,0,0,0|1,0,0]=3 3596 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,2,0,0,0,0|1,0,0]=3 3597 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,2,0,0,0,0|2,0,0]=4 3598 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,2,0,0,0,0|2,0,0]=4 3599 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,2,0,0,0,0|2,0,0]=4 3600 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,2,0,0,0,0|1,0,0]=3 3601 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,2,0,0,0,0|2,0,0]=4 3602 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,2,0,0,0,0|1,0,1]=4 3603 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,2,0,0,0,0|2,0,0]=4 3604 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,2,0,0,0,0|1,0,1]=4 3605 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,2,0,0,0,0|0,0,2]=4 3606 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,2,0,0,0,0|2,0,0]=4 3607 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,2,0,0,0,0|2,0,0]=4 3608 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,2,0,0,0,0|2,0,0]=4 3609 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,2,0,0,0,0|2,0,0]=4 3610 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,2,0,0,0,0|2,0,0]=4 3611 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,2,0,0,0,0|2,0,0]=4 3612 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,2,0,0,0,0|2,0,0]=4 3613 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000711301_100000184139 [0,2,0,0,0,0|2,0,0]=4 3614 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000737613_100000747473 [0,2,0,0,0,0|2,0,0]=4 3615 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,2,0,0,0,0|1,0,0]=3 3616 B8R0.9 CC(C#N)OCC(=O)N 34a_100011218135_100000187820 [0,2,0,0,0,0|2,0,0]=4 3617 B8R0.9 CC(C#N)OCC(=O)[O-] 34a_100011218135_100020667443 [0,2,0,0,0,0|1,0,1]=4 3618 B8R0.9 CC(C#N)SCC(=O)N 62a_100000703298_100000747473 [0,2,0,0,0,0|2,0,0]=4 3619 B8R0.9 CC(C#N)SCC(=O)N 62a_100000747473_100000703298 [0,2,0,0,0,0|2,0,0]=4 3620 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100000703298_100020667443 [0,2,0,0,0,0|1,0,1]=4 3621 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100020667443_100000703298 [0,2,0,0,0,0|1,0,1]=4 3622 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,2,0,0,0,0|1,0,0]=3 3623 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,2,0,0,0,0|0,0,0]=2 3624 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,2,0,0,0,0|1,0,1]=4 3625 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,2,0,0,0,0|1,0,1]=4 3626 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,2,0,0,0,0|1,0,0]=3 3627 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,2,0,0,0,0|1,0,0]=3 3628 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,2,0,0,0,0|2,0,0]=4 3629 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,2,0,0,0,0|2,0,0]=4 3630 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,2,0,0,0,0|2,0,0]=4 3631 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,2,0,0,0,0|2,0,0]=4 3632 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,2,0,0,0,0|2,0,0]=4 3633 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,2,0,0,0,0|1,0,1]=4 3634 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,2,0,0,0,0|2,0,0]=4 3635 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,2,0,0,0,0|1,0,1]=4 3636 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,2,0,0,0,0|2,0,0]=4 3637 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,2,0,0,0,0|2,0,0]=4 3638 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,2,0,0,0,0|1,0,1]=4 3639 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,2,0,0,0,0|0,0,0]=2 3640 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,2,0,0,0,0|1,0,0]=3 3641 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,2,0,0,0,0|1,0,0]=3 3642 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,2,0,0,0,0|1,0,0]=3 3643 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,2,0,0,0,0|1,0,0]=3 3644 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,2,0,0,0,0|1,0,0]=3 3645 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,2,0,0,0,0|1,0,0]=3 3646 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,2,0,0,0,0|1,0,1]=4 3647 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,2,0,0,0,0|2,0,0]=4 3648 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,2,0,0,0,0|1,0,1]=4 3649 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,2,0,0,0,0|1,0,1]=4 3650 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,2,0,0,0,0|1,0,1]=4 3651 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,2,0,0,0,0|2,0,0]=4 3652 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,2,0,0,0,0|2,0,0]=4 3653 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,2,0,0,0,0|1,0,1]=4 3654 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,2,0,0,0,0|2,0,0]=4 3655 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,2,0,0,0,0|2,0,0]=4 3656 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,2,0,0,0,0|2,0,0]=4 3657 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,2,0,0,0,0|1,0,1]=4 3658 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 3659 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 3660 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 3661 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,2,0,0,0,0|1,0,1]=4 3662 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,2,0,0,0,0|2,0,0]=4 3663 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,2,0,0,0,0|2,0,0]=4 3664 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,2,0,0,0,0|2,0,0]=4 3665 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,2,0,0,0,0|2,0,0]=4 3666 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,2,0,0,0,0|2,0,0]=4 3667 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,2,0,0,0,0|2,0,0]=4 3668 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,2,0,0,0,0|2,0,0]=4 3669 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,2,0,0,0,0|1,0,0]=3 3670 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,2,0,0,0,0|1,0,0]=3 3671 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,2,0,0,0,0|1,0,0]=3 3672 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,2,0,0,0,0|1,0,0]=3 3673 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,2,0,0,0,0|1,0,0]=3 3674 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,2,0,0,0,0|1,0,0]=3 3675 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,2,0,0,0,0|1,0,0]=3 3676 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,2,0,0,0,0|1,0,0]=3 3677 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,2,0,0,0,0|0,0,0]=2 3678 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,2,0,0,0,0|1,0,1]=4 3679 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,2,0,0,0,0|1,0,1]=4 3680 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,2,0,0,0,0|1,0,1]=4 3681 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,2,0,0,0,0|1,0,1]=4 3682 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,2,0,0,0,0|2,0,0]=4 3683 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,2,0,0,0,0|1,0,0]=3 3684 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,2,0,0,0,0|1,0,0]=3 3685 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,2,0,0,0,0|1,0,1]=4 3686 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,2,0,0,0,0|1,0,1]=4 3687 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,2,0,0,0,0|1,0,0]=3 3688 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,2,0,0,0,0|1,0,0]=3 3689 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,2,0,0,0,0|0,0,1]=3 3690 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,2,0,0,0,0|0,0,1]=3 3691 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,2,0,0,0,0|1,0,1]=4 3692 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,2,0,0,0,0|1,0,1]=4 3693 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,2,0,0,0,0|1,0,1]=4 3694 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,2,0,0,0,0|1,0,1]=4 3695 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [0,2,0,0,0,0|1,0,1]=4 3696 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,2,0,0,0,0|1,0,0]=3 3697 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,2,0,0,0,0|1,0,0]=3 3698 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,2,0,0,0,0|1,0,0]=3 3699 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,2,0,0,0,0|1,0,0]=3 3700 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,2,0,0,0,0|1,0,0]=3 3701 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,2,0,0,0,0|1,0,0]=3 3702 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,2,0,0,0,0|1,0,0]=3 3703 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,2,0,0,0,0|1,0,0]=3 3704 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,2,0,0,0,0|1,0,0]=3 3705 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,2,0,0,0,0|1,0,0]=3 3706 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,2,0,0,0,0|1,0,1]=4 3707 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,2,0,0,0,0|1,0,1]=4 3708 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,2,0,0,0,0|2,0,0]=4 3709 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,2,0,0,0,0|1,0,0]=3 3710 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,2,0,0,0,0|1,0,0]=3 3711 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,2,0,0,0,0|1,0,0]=3 3712 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,2,0,0,0,0|1,0,1]=4 3713 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,2,0,0,0,0|1,0,1]=4 3714 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,2,0,0,0,0|1,0,1]=4 3715 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,2,0,0,0,0|1,0,1]=4 3716 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,2,0,0,0,0|1,0,0]=3 3717 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,2,0,0,0,0|1,0,0]=3 3718 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,2,0,0,0,0|1,0,0]=3 3719 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,2,0,0,0,0|1,0,0]=3 3720 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,2,0,0,0,0|1,0,0]=3 3721 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,2,0,0,0,0|2,0,0]=4 3722 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,2,0,0,0,0|2,0,0]=4 3723 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,2,0,0,0,0|2,0,0]=4 3724 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,2,0,0,0,0|2,0,0]=4 3725 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,2,0,0,0,0|2,0,0]=4 3726 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,2,0,0,0,0|2,0,0]=4 3727 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,2,0,0,0,0|2,0,0]=4 3728 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,2,0,0,0,0|2,0,0]=4 3729 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,2,0,0,0,0|2,0,0]=4 3730 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,2,0,0,0,0|2,0,0]=4 3731 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,2,0,0,0,0|2,0,0]=4 3732 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,2,0,0,0,0|2,0,0]=4 3733 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,2,0,0,0,0|2,0,0]=4 3734 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,2,0,0,0,0|2,0,0]=4 3735 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,2,0,0,0,0|2,0,0]=4 3736 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,2,0,0,0,0|2,0,0]=4 3737 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,2,0,0,0,0|2,0,0]=4 3738 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,2,0,0,0,0|2,0,0]=4 3739 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,2,0,0,0,0|2,0,0]=4 3740 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,2,0,0,0,0|2,0,0]=4 3741 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,2,0,0,0,0|2,0,0]=4 3742 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,2,0,0,0,0|2,0,0]=4 3743 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,2,0,0,0,0|2,0,0]=4 3744 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,2,0,0,0,0|2,0,0]=4 3745 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,2,0,0,0,0|2,0,0]=4 3746 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,2,0,0,0,0|2,0,0]=4 3747 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,2,0,0,0,0|2,0,0]=4 3748 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,2,0,0,0,0|2,0,0]=4 3749 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,2,0,0,0,0|2,0,0]=4 3750 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,2,0,0,0,0|2,0,0]=4 3751 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,2,0,0,0,0|2,0,0]=4 3752 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,2,0,0,0,0|2,0,0]=4 3753 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,2,0,0,0,0|2,0,0]=4 3754 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,2,0,0,0,0|2,0,0]=4 3755 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,2,0,0,0,0|2,0,0]=4 3756 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,2,0,0,0,0|2,0,0]=4 3757 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,2,0,0,0,0|2,0,0]=4 3758 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,2,0,0,0,0|2,0,0]=4 3759 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,2,0,0,0,0|2,0,0]=4 3760 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,2,0,0,0,0|0,0,1]=3 3761 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,2,0,0,0,0|0,0,1]=3 3762 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,2,0,0,0,0|1,0,0]=3 3763 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,2,0,0,0,0|1,0,0]=3 3764 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,2,0,0,0,0|1,0,0]=3 3765 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,2,0,0,0,0|1,0,0]=3 3766 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,2,0,0,0,0|1,0,1]=4 3767 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,2,0,0,0,0|1,0,0]=3 3768 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,2,0,0,0,0|1,0,0]=3 3769 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,2,0,0,0,0|1,0,0]=3 3770 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,2,0,0,0,0|1,0,0]=3 3771 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,2,0,0,0,0|1,0,0]=3 3772 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,2,0,0,0,0|1,0,1]=4 3773 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,2,0,0,0,0|1,0,1]=4 3774 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,2,0,0,0,0|1,0,1]=4 3775 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,2,0,0,0,0|1,0,1]=4 3776 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,2,0,0,0,0|1,0,1]=4 3777 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,2,0,0,0,0|1,0,0]=3 3778 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,2,0,0,0,0|2,0,0]=4 3779 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,2,0,0,0,0|2,0,0]=4 3780 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,2,0,0,0,0|1,0,1]=4 3781 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,2,0,0,0,0|1,0,1]=4 3782 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,2,0,0,0,0|2,0,0]=4 3783 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,2,0,0,0,0|2,0,0]=4 3784 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,2,0,0,0,0|2,0,0]=4 3785 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,2,0,0,0,0|2,0,0]=4 3786 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,2,0,0,0,0|2,0,0]=4 3787 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,2,0,0,0,0|1,0,0]=3 3788 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,2,0,0,0,0|2,0,0]=4 3789 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,2,0,0,0,0|2,0,0]=4 3790 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,2,0,0,0,0|1,0,1]=4 3791 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,2,0,0,0,0|1,0,1]=4 3792 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,2,0,0,0,0|2,0,0]=4 3793 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,2,0,0,0,0|1,0,1]=4 3794 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,2,0,0,0,0|2,0,0]=4 3795 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,2,0,0,0,0|2,0,0]=4 3796 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [0,2,0,0,0,0|1,0,1]=4 3797 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [0,2,0,0,0,0|1,0,1]=4 3798 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [0,2,0,0,0,0|1,0,1]=4 3799 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [0,2,0,0,0,0|1,0,1]=4 3800 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,2,0,0,0,0|1,0,1]=4 3801 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,2,0,0,0,0|1,0,1]=4 3802 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,2,0,0,0,0|1,0,1]=4 3803 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,2,0,0,0,0|1,0,1]=4 3804 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,2,0,0,0,0|1,0,1]=4 3805 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,2,0,0,0,0|1,0,1]=4 3806 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,2,0,0,0,0|1,0,1]=4 3807 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,2,0,0,0,0|1,0,1]=4 3808 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,2,0,0,0,0|1,0,1]=4 3809 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [0,2,0,0,0,0|1,0,1]=4 3810 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [0,2,0,0,0,0|1,0,1]=4 3811 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [0,2,0,0,0,0|1,0,1]=4 3812 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [0,2,0,0,0,0|1,0,1]=4 3813 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [0,2,0,0,0,0|1,0,1]=4 3814 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [0,2,0,0,0,0|1,0,1]=4 3815 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [0,2,0,0,0,0|1,0,1]=4 3816 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [0,2,0,0,0,0|1,0,1]=4 3817 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [0,2,0,0,0,0|1,0,1]=4 3818 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,2,0,0,0,0|1,0,0]=3 3819 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,2,0,0,0,0|1,0,0]=3 3820 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,2,0,0,0,0|1,0,0]=3 3821 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,2,0,0,0,0|1,0,1]=4 3822 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,2,0,0,0,0|1,0,1]=4 3823 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,2,0,0,0,0|1,0,1]=4 3824 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,2,0,0,0,0|1,0,1]=4 3825 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,2,0,0,0,0|1,0,1]=4 3826 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,2,0,0,0,0|1,0,1]=4 3827 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,2,0,0,0,0|0,0,1]=3 3828 B8R0.7 C#CCCNCC(=O)[O-] 34a_100000755551_100020667443 [0,2,0,0,0,0|0,0,2]=4 3829 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,2,0,0,0,0|1,0,1]=4 3830 B8R0.7 C#CCCOCC(=O)N 34a_100011215631_100000187820 [0,2,0,0,0,0|1,0,1]=4 3831 B8R0.7 C#CCCOCC(=O)[O-] 34a_100011215631_100020667443 [0,2,0,0,0,0|0,0,2]=4 3832 B8R0.7 C#CCCSCC(=O)N 62a_100000688953_100000747473 [0,2,0,0,0,0|1,0,1]=4 3833 B8R0.7 C#CCCSCC(=O)N 62a_100000747473_100000688953 [0,2,0,0,0,0|1,0,1]=4 3834 B8R0.7 C#CCCSCC(=O)[O-] 62a_100000688953_100020667443 [0,2,0,0,0,0|0,0,2]=4 3835 B8R0.7 C#CCCSCC(=O)[O-] 62a_100020667443_100000688953 [0,2,0,0,0,0|0,0,2]=4 3836 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,2,0,0,0,0|1,0,1]=4 3837 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [0,2,0,0,0,0|0,0,2]=4 3838 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,2,0,0,0,0|1,0,1]=4 3839 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,2,0,0,0,0|1,0,1]=4 3840 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,2,0,0,0,0|1,0,1]=4 3841 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,2,0,0,0,0|1,0,1]=4 3842 B8R0.7 C#CCOCCC(=O)N 34a_100000210247_100000731001 [0,2,0,0,0,0|1,0,1]=4 3843 B8R0.7 C#CCOCCC(=O)N 34a_100000757172_100000184674 [0,2,0,0,0,0|1,0,1]=4 3844 B8R0.7 C#CCOCCC(=O)N 7a_100000757172_100000038162 [0,2,0,0,0,0|1,0,1]=4 3845 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,2,0,0,0,0|1,0,1]=4 3846 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,2,0,0,0,0|1,0,1]=4 3847 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [0,2,0,0,0,0|1,0,1]=4 3848 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,2,0,0,0,0|0,0,1]=3 3849 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,2,0,0,0,0|1,0,1]=4 3850 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,2,0,0,0,0|1,0,1]=4 3851 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [0,2,0,0,0,0|0,0,2]=4 3852 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [0,2,0,0,0,0|1,0,1]=4 3853 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [0,2,0,0,0,0|1,0,1]=4 3854 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [0,2,0,0,0,0|0,0,2]=4 3855 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [0,2,0,0,0,0|0,0,2]=4 3856 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,2,0,0,0,0|2,0,0]=4 3857 B8R0.7 C=C(Br)CCOCCF 34a_100009813270_100011217306 [0,2,0,0,0,0|2,0,0]=4 3858 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [0,2,0,0,0,0|2,0,0]=4 3859 B8R0.7 C=C(Br)CCOCSC 34a_100009813270_100011218213 [0,2,0,0,0,0|2,0,0]=4 3860 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,2,0,0,0,0|2,0,0]=4 3861 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,2,0,0,0,0|2,0,0]=4 3862 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,2,0,0,0,0|2,0,0]=4 3863 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [0,2,0,0,0,0|2,0,0]=4 3864 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,2,0,0,0,0|2,0,0]=4 3865 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,2,0,0,0,0|2,0,0]=4 3866 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [0,2,0,0,0,0|2,0,0]=4 3867 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,2,0,0,0,0|2,0,0]=4 3868 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,2,0,0,0,0|2,0,0]=4 3869 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [0,2,0,0,0,0|2,0,0]=4 3870 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,2,0,0,0,0|2,0,0]=4 3871 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,2,0,0,0,0|2,0,0]=4 3872 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,2,0,0,0,0|2,0,0]=4 3873 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,2,0,0,0,0|2,0,0]=4 3874 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,2,0,0,0,0|2,0,0]=4 3875 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,2,0,0,0,0|2,0,0]=4 3876 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,2,0,0,0,0|2,0,0]=4 3877 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,2,0,0,0,0|2,0,0]=4 3878 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,2,0,0,0,0|2,0,0]=4 3879 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,2,0,0,0,0|2,0,0]=4 3880 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,2,0,0,0,0|2,0,0]=4 3881 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,2,0,0,0,0|2,0,0]=4 3882 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,2,0,0,0,0|2,0,0]=4 3883 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,2,0,0,0,0|2,0,0]=4 3884 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,2,0,0,0,0|2,0,0]=4 3885 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,2,0,0,0,0|2,0,0]=4 3886 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,2,0,0,0,0|2,0,0]=4 3887 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,2,0,0,0,0|2,0,0]=4 3888 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,2,0,0,0,0|2,0,0]=4 3889 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,2,0,0,0,0|2,0,0]=4 3890 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,2,0,0,0,0|2,0,0]=4 3891 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,2,0,0,0,0|2,0,0]=4 3892 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,2,0,0,0,0|2,0,0]=4 3893 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,2,0,0,0,0|2,0,0]=4 3894 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,2,0,0,0,0|2,0,0]=4 3895 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,2,0,0,0,0|2,0,0]=4 3896 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,2,0,0,0,0|2,0,0]=4 3897 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,2,0,0,0,0|2,0,0]=4 3898 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,2,0,0,0,0|2,0,0]=4 3899 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,2,0,0,0,0|2,0,0]=4 3900 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,2,0,0,0,0|2,0,0]=4 3901 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,2,0,0,0,0|2,0,0]=4 3902 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,2,0,0,0,0|2,0,0]=4 3903 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,2,0,0,0,0|2,0,0]=4 3904 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,2,0,0,0,0|2,0,0]=4 3905 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,2,0,0,0,0|2,0,0]=4 3906 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,2,0,0,0,0|2,0,0]=4 3907 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,2,0,0,0,0|2,0,0]=4 3908 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,2,0,0,0,0|2,0,0]=4 3909 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,2,0,0,0,0|2,0,0]=4 3910 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [0,2,0,0,0,0|2,0,0]=4 3911 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [0,2,0,0,0,0|2,0,0]=4 3912 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,2,0,0,0,0|2,0,0]=4 3913 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,2,0,0,0,0|2,0,0]=4 3914 B8R0.7 C=C(F)CNCCCF 2230a_100015189416_100009893438 [0,2,0,0,0,0|2,0,0]=4 3915 B8R0.7 C=C(F)CNCCCF 34a_100015189416_100009893438 [0,2,0,0,0,0|2,0,0]=4 3916 B8R0.7 C=C(F)CNCCOC 2230a_100000209980_100009893438 [0,2,0,0,0,0|2,0,0]=4 3917 B8R0.7 C=C(F)CNCCSC 2230a_100020590264_100009893438 [0,2,0,0,0,0|2,0,0]=4 3918 B8R0.7 C=C(F)COCCCBr 34a_100011217188_100009893438 [0,2,0,0,0,0|2,0,0]=4 3919 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,2,0,0,0,0|2,0,0]=4 3920 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,2,0,0,0,0|2,0,0]=4 3921 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,2,0,0,0,0|2,0,0]=4 3922 B8R0.7 C=C(F)COCCCCl 34a_100000230001_100009893438 [0,2,0,0,0,0|2,0,0]=4 3923 B8R0.7 C=C(F)COCCCF 34a_100000759539_100009893438 [0,2,0,0,0,0|2,0,0]=4 3924 B8R0.7 C=C(F)COCCCF 34a_200010262243_100011934791 [0,2,0,0,0,0|2,0,0]=4 3925 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,2,0,0,0,0|2,0,0]=4 3926 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [0,2,0,0,0,0|2,0,0]=4 3927 B8R0.7 C=C(F)COCCOC 34a_100000210237_100009893438 [0,2,0,0,0,0|2,0,0]=4 3928 B8R0.7 C=C(F)COCCOC 34a_200010262243_100011201679 [0,2,0,0,0,0|2,0,0]=4 3929 B8R0.7 C=C(F)COCCSC 34a_100000230434_100009893438 [0,2,0,0,0,0|2,0,0]=4 3930 B8R0.7 C=C(F)COCCSC 34a_200010262243_100000212216 [0,2,0,0,0,0|2,0,0]=4 3931 B8R0.7 C=C(F)COCCSC 7a_100000230434_100000042424 [0,2,0,0,0,0|2,0,0]=4 3932 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,2,0,0,0,0|2,0,0]=4 3933 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,2,0,0,0,0|2,0,0]=4 3934 B8R0.7 C=C(F)CSCCCF 62a_100000042424_100011934791 [0,2,0,0,0,0|2,0,0]=4 3935 B8R0.7 C=C(F)CSCCCF 62a_100011934791_100000042424 [0,2,0,0,0,0|2,0,0]=4 3936 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,2,0,0,0,0|2,0,0]=4 3937 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,2,0,0,0,0|2,0,0]=4 3938 B8R0.7 C=C(F)CSCCOC 62a_100000042424_100000233755 [0,2,0,0,0,0|2,0,0]=4 3939 B8R0.7 C=C(F)CSCCOC 62a_100000233755_100000042424 [0,2,0,0,0,0|2,0,0]=4 3940 B8R0.7 C=C(F)CSCCSC 62a_100000042424_100000751147 [0,2,0,0,0,0|2,0,0]=4 3941 B8R0.7 C=C(F)CSCCSC 62a_100000212216_100000042424 [0,2,0,0,0,0|2,0,0]=4 3942 B8R0.7 C=C(F)CSCOCC 62a_100000042424_100000739092 [0,2,0,0,0,0|2,0,0]=4 3943 B8R0.7 C=C(F)CSCOCC 62a_100000739092_100000042424 [0,2,0,0,0,0|2,0,0]=4 3944 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,2,0,0,0,0|1,0,0]=3 3945 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,2,0,0,0,0|1,0,0]=3 3946 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,2,0,0,0,0|1,0,0]=3 3947 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,2,0,0,0,0|1,0,1]=4 3948 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,2,0,0,0,0|1,0,1]=4 3949 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,2,0,0,0,0|1,0,1]=4 3950 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,2,0,0,0,0|1,0,1]=4 3951 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,2,0,0,0,0|1,0,1]=4 3952 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,2,0,0,0,0|1,0,1]=4 3953 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,2,0,0,0,0|0,0,1]=3 3954 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,2,0,0,0,0|1,0,1]=4 3955 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,2,0,0,0,0|1,0,1]=4 3956 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,2,0,0,0,0|0,0,2]=4 3957 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,2,0,0,0,0|1,0,1]=4 3958 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,2,0,0,0,0|1,0,1]=4 3959 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,2,0,0,0,0|0,0,2]=4 3960 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,2,0,0,0,0|0,0,2]=4 3961 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,2,0,0,0,0|1,0,1]=4 3962 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,2,0,0,0,0|0,0,2]=4 3963 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,2,0,0,0,0|1,0,1]=4 3964 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,2,0,0,0,0|1,0,1]=4 3965 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,2,0,0,0,0|1,0,1]=4 3966 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,2,0,0,0,0|1,0,1]=4 3967 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,2,0,0,0,0|1,0,1]=4 3968 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,2,0,0,0,0|1,0,1]=4 3969 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,2,0,0,0,0|1,0,1]=4 3970 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,2,0,0,0,0|1,0,1]=4 3971 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,2,0,0,0,0|1,0,1]=4 3972 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,2,0,0,0,0|1,0,1]=4 3973 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,2,0,0,0,0|1,0,1]=4 3974 B8R0.7 CC#CCNCC(=O)N 2230a_100000685387_100000747473 [0,2,0,0,0,0|1,0,1]=4 3975 B8R0.7 CC#CCNCC(=O)N 2230a_100000711301_100000748600 [0,2,0,0,0,0|1,0,1]=4 3976 B8R0.7 CC#CCNCC(=O)N 34a_100000685387_100000187820 [0,2,0,0,0,0|1,0,1]=4 3977 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,2,0,0,0,0|0,0,1]=3 3978 B8R0.7 CC#CCNCC(=O)[O-] 34a_100000685387_100020667443 [0,2,0,0,0,0|0,0,2]=4 3979 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [0,2,0,0,0,0|1,0,1]=4 3980 B8R0.7 CC#CCOCC(=O)N 34a_100000761923_100000187820 [0,2,0,0,0,0|1,0,1]=4 3981 B8R0.7 CC#CCOCC(=O)[O-] 34a_100000761923_100020667443 [0,2,0,0,0,0|0,0,2]=4 3982 B8R0.7 CC#CCSCC(=O)N 62a_100000747473_100000748600 [0,2,0,0,0,0|1,0,1]=4 3983 B8R0.7 CC#CCSCC(=O)N 62a_100000748600_100000747473 [0,2,0,0,0,0|1,0,1]=4 3984 B8R0.7 CC#CCSCC(=O)[O-] 62a_100000748600_100020667443 [0,2,0,0,0,0|0,0,2]=4 3985 B8R0.7 CC#CCSCC(=O)[O-] 62a_100020667443_100000748600 [0,2,0,0,0,0|0,0,2]=4 3986 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,2,0,0,0,0|1,0,0]=3 3987 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,2,0,0,0,0|1,0,0]=3 3988 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,2,0,0,0,0|1,0,0]=3 3989 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,2,0,0,0,0|1,0,0]=3 3990 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,2,0,0,0,0|1,0,0]=3 3991 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,2,0,0,0,0|1,0,0]=3 3992 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,2,0,0,0,0|2,0,0]=4 3993 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,2,0,0,0,0|1,0,0]=3 3994 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,2,0,0,0,0|1,0,0]=3 3995 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,2,0,0,0,0|1,0,0]=3 3996 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,2,0,0,0,0|1,0,0]=3 3997 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,2,0,0,0,0|1,0,1]=4 3998 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,2,0,0,0,0|1,0,1]=4 3999 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,2,0,0,0,0|1,0,1]=4 4000 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,2,0,0,0,0|1,0,1]=4 4001 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,2,0,0,0,0|1,0,0]=3 4002 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,2,0,0,0,0|1,0,0]=3 4003 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,2,0,0,0,0|1,0,0]=3 4004 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,2,0,0,0,0|1,0,0]=3 4005 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,2,0,0,0,0|1,0,0]=3 4006 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,2,0,0,0,0|1,0,0]=3 4007 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,2,0,0,0,0|1,0,1]=4 4008 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,2,0,0,0,0|1,0,1]=4 4009 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,2,0,0,0,0|1,0,1]=4 4010 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,2,0,0,0,0|1,0,1]=4 4011 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,2,0,0,0,0|1,0,0]=3 4012 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,2,0,0,0,0|1,0,0]=3 4013 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,2,0,0,0,0|1,0,0]=3 4014 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,2,0,0,0,0|1,0,0]=3 4015 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,2,0,0,0,0|1,0,0]=3 4016 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,2,0,0,0,0|1,0,0]=3 4017 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,2,0,0,0,0|1,0,0]=3 4018 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,2,0,0,0,0|1,0,0]=3 4019 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,2,0,0,0,0|1,0,0]=3 4020 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,2,0,0,0,0|1,0,0]=3 4021 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,2,0,0,0,0|2,0,0]=4 4022 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,2,0,0,0,0|2,0,0]=4 4023 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,2,0,0,0,0|2,0,0]=4 4024 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,2,0,0,0,0|1,0,0]=3 4025 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,2,0,0,0,0|1,0,0]=3 4026 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,2,0,0,0,0|2,0,0]=4 4027 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,2,0,0,0,0|2,0,0]=4 4028 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,2,0,0,0,0|2,0,0]=4 4029 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,2,0,0,0,0|2,0,0]=4 4030 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,2,0,0,0,0|2,0,0]=4 4031 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,2,0,0,0,0|2,0,0]=4 4032 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,2,0,0,0,0|2,0,0]=4 4033 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,2,0,0,0,0|2,0,0]=4 4034 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,2,0,0,0,0|2,0,0]=4 4035 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,2,0,0,0,0|2,0,0]=4 4036 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,2,0,0,0,0|1,0,0]=3 4037 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,2,0,0,0,0|1,0,0]=3 4038 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,2,0,0,0,0|1,1,0]=4 4039 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,2,0,0,0,0|1,1,0]=4 4040 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,2,0,0,0,0|1,0,1]=4 4041 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,2,0,0,0,0|1,0,1]=4 4042 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,2,0,0,0,0|1,0,1]=4 4043 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,2,0,0,0,0|1,0,1]=4 4044 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,2,0,0,0,0|1,0,1]=4 4045 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,2,0,0,0,0|1,0,1]=4 4046 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,2,0,0,0,0|1,0,1]=4 4047 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,2,0,0,0,0|1,0,1]=4 4048 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,2,0,0,0,0|1,0,1]=4 4049 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,2,0,0,0,0|1,0,1]=4 4050 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,2,0,0,0,0|1,0,1]=4 4051 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,2,0,0,0,0|1,0,1]=4 4052 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,2,0,0,0,0|1,0,1]=4 4053 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,2,0,0,0,0|1,0,1]=4 4054 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,2,0,0,0,0|1,0,1]=4 4055 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,2,0,0,0,0|1,0,1]=4 4056 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,2,0,0,0,0|1,0,1]=4 4057 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,2,0,0,0,0|1,0,1]=4 4058 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,2,0,0,0,0|1,0,1]=4 4059 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,2,0,0,0,0|1,0,1]=4 4060 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,2,0,0,0,0|1,0,1]=4 4061 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,2,0,0,0,0|1,0,1]=4 4062 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,2,0,0,0,0|1,0,1]=4 4063 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,2,0,0,0,0|1,0,1]=4 4064 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,2,0,0,0,0|1,0,1]=4 4065 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,2,0,0,0,0|1,0,1]=4 4066 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,2,0,0,0,0|1,0,1]=4 4067 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,2,0,0,0,0|1,0,0]=3 4068 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,2,0,0,0,0|1,0,1]=4 4069 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,2,0,0,0,0|1,0,1]=4 4070 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [0,2,0,0,0,0|1,0,1]=4 4071 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [0,2,0,0,0,0|1,0,1]=4 4072 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [0,2,0,0,0,0|0,0,2]=4 4073 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [0,2,0,0,0,0|0,0,2]=4 4074 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,2,0,0,0,0|1,0,0]=3 4075 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,2,0,0,0,0|1,0,0]=3 4076 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,2,0,0,0,0|1,0,1]=4 4077 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,2,0,0,0,0|1,0,0]=3 4078 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,2,0,0,0,0|1,0,0]=3 4079 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,2,0,0,0,0|1,0,0]=3 4080 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,2,0,0,0,0|1,0,0]=3 4081 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,2,0,0,0,0|1,0,0]=3 4082 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,2,0,0,0,0|1,0,0]=3 4083 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,2,0,0,0,0|1,0,0]=3 4084 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,2,0,0,0,0|1,0,0]=3 4085 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,2,0,0,0,0|1,0,0]=3 4086 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,2,0,0,0,0|1,0,0]=3 4087 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,2,0,0,0,0|1,0,0]=3 4088 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,2,0,0,0,0|1,0,0]=3 4089 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,2,0,0,0,0|0,0,0]=2 4090 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,2,0,0,0,0|1,0,1]=4 4091 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,2,0,0,0,0|1,0,1]=4 4092 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,2,0,0,0,0|1,0,1]=4 4093 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,2,0,0,0,0|1,0,1]=4 4094 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,2,0,0,0,0|1,0,1]=4 4095 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,2,0,0,0,0|1,0,1]=4 4096 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,2,0,0,0,0|1,0,0]=3 4097 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,2,0,0,0,0|1,0,0]=3 4098 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,2,0,0,0,0|1,0,0]=3 4099 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,2,0,0,0,0|1,0,0]=3 4100 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,2,0,0,0,0|1,0,0]=3 4101 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,2,0,0,0,0|1,0,0]=3 4102 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,2,0,0,0,0|1,0,0]=3 4103 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,2,0,0,0,0|0,0,1]=3 4104 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,2,0,0,0,0|1,0,1]=4 4105 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,2,0,0,0,0|1,0,1]=4 4106 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,2,0,0,0,0|1,0,1]=4 4107 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,2,0,0,0,0|1,0,1]=4 4108 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,2,0,0,0,0|1,0,1]=4 4109 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,2,0,0,0,0|1,0,0]=3 4110 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,2,0,0,0,0|1,0,0]=3 4111 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,2,0,0,0,0|1,0,0]=3 4112 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,2,0,0,0,0|1,0,0]=3 4113 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,2,0,0,0,0|0,0,1]=3 4114 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,2,0,0,0,0|0,0,1]=3 4115 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,2,0,0,0,0|1,0,1]=4 4116 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,2,0,0,0,0|1,0,1]=4 4117 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,2,0,0,0,0|1,0,1]=4 4118 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,2,0,0,0,0|1,0,1]=4 4119 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,2,0,0,0,0|1,0,1]=4 4120 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,2,0,0,0,0|2,0,0]=4 4121 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,2,0,0,0,0|1,0,1]=4 4122 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,2,0,0,0,0|0,0,0]=2 4123 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,2,0,0,0,0|2,0,0]=4 4124 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,2,0,0,0,0|2,0,0]=4 4125 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,2,0,0,0,0|1,0,0]=3 4126 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,2,0,0,0,0|1,0,0]=3 4127 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,2,0,0,0,0|1,0,0]=3 4128 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,2,0,0,0,0|1,0,0]=3 4129 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,2,0,0,0,0|1,0,0]=3 4130 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,2,0,0,0,0|1,0,0]=3 4131 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,2,0,0,0,0|1,0,1]=4 4132 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,2,0,0,0,0|1,0,0]=3 4133 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,2,0,0,0,0|2,0,0]=4 4134 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,2,0,0,0,0|2,0,0]=4 4135 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,2,0,0,0,0|1,0,0]=3 4136 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,2,0,0,0,0|1,0,0]=3 4137 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,2,0,0,0,0|1,0,0]=3 4138 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,2,0,0,0,0|1,0,0]=3 4139 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,2,0,0,0,0|1,0,1]=4 4140 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,2,0,0,0,0|1,0,1]=4 4141 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,2,0,0,0,0|1,0,0]=3 4142 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,2,0,0,0,0|1,0,0]=3 4143 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [0,2,0,0,0,0|2,0,0]=4 4144 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [0,2,0,0,0,0|2,0,0]=4 4145 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,2,0,0,0,0|1,0,0]=3 4146 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,2,0,0,0,0|1,0,1]=4 4147 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,2,0,0,0,0|2,0,0]=4 4148 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,2,0,0,0,0|1,0,0]=3 4149 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,2,0,0,0,0|1,0,0]=3 4150 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,2,0,0,0,0|1,0,0]=3 4151 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,2,0,0,0,0|1,0,0]=3 4152 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,2,0,0,0,0|2,0,0]=4 4153 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [0,2,0,0,0,0|2,0,0]=4 4154 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,2,0,0,0,0|1,0,0]=3 4155 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,2,0,0,0,0|1,0,0]=3 4156 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,2,0,0,0,0|1,0,0]=3 4157 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,2,0,0,0,0|1,0,0]=3 4158 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,2,0,0,0,0|1,0,0]=3 4159 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,2,0,0,0,0|1,0,1]=4 4160 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,2,0,0,0,0|1,0,1]=4 4161 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,2,0,0,0,0|1,0,0]=3 4162 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,2,0,0,0,0|1,0,0]=3 4163 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,2,0,0,0,0|1,0,0]=3 4164 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,2,0,0,0,0|1,0,0]=3 4165 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,2,0,0,0,0|1,0,0]=3 4166 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,2,0,0,0,0|1,0,0]=3 4167 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,2,0,0,0,0|1,0,0]=3 4168 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,2,0,0,0,0|1,0,0]=3 4169 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,2,0,0,0,0|1,0,0]=3 4170 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,2,0,0,0,0|0,0,0]=2 4171 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,2,0,0,0,0|1,0,0]=3 4172 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,2,0,0,0,0|1,0,0]=3 4173 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,2,0,0,0,0|0,0,1]=3 4174 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,2,0,0,0,0|0,0,1]=3 4175 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,2,0,0,0,0|1,0,1]=4 4176 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,2,0,0,0,0|1,0,1]=4 4177 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,2,0,0,0,0|1,0,1]=4 4178 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,2,0,0,0,0|1,0,1]=4 4179 B8R0.7 CCOCSC[N+](=O)[O-] 62a_100000739092_100000761209 [0,2,0,0,0,0|1,0,1]=4 4180 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,2,0,0,0,0|2,0,0]=4 4181 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,2,0,0,0,0|2,0,0]=4 4182 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [0,2,0,0,0,0|2,0,0]=4 4183 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [0,2,0,0,0,0|2,0,0]=4 4184 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,2,0,0,0,0|1,0,0]=3 4185 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,2,0,0,0,0|1,0,0]=3 4186 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,2,0,0,0,0|1,0,0]=3 4187 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,2,0,0,0,0|1,0,0]=3 4188 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,2,0,0,0,0|1,0,1]=4 4189 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,2,0,0,0,0|1,0,1]=4 4190 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,2,0,0,0,0|1,0,0]=3 4191 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,2,0,0,0,0|1,0,0]=3 4192 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,2,0,0,0,0|1,0,0]=3 4193 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,2,0,0,0,0|1,0,0]=3 4194 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,2,0,0,0,0|1,0,0]=3 4195 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,2,0,0,0,0|1,0,0]=3 4196 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,2,0,0,0,0|1,0,0]=3 4197 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,2,0,0,0,0|1,0,0]=3 4198 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,2,0,0,0,0|1,0,0]=3 4199 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,2,0,0,0,0|1,0,0]=3 4200 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,2,0,0,0,0|1,0,0]=3 4201 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,2,0,0,0,0|1,0,0]=3 4202 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,2,0,0,0,0|1,0,1]=4 4203 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,2,0,0,0,0|1,0,1]=4 4204 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,2,0,0,0,0|1,0,1]=4 4205 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,2,0,0,0,0|1,0,0]=3 4206 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,2,0,0,0,0|1,0,0]=3 4207 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,2,0,0,0,0|1,0,0]=3 4208 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,2,0,0,0,0|1,0,0]=3 4209 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,2,0,0,0,0|1,0,0]=3 4210 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,2,0,0,0,0|1,0,0]=3 4211 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,2,0,0,0,0|1,1,0]=4 4212 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,2,0,0,0,0|1,1,0]=4 4213 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,2,0,0,0,0|1,1,0]=4 4214 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,2,0,0,0,0|1,0,0]=3 4215 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,2,0,0,0,0|1,0,0]=3 4216 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,2,0,0,0,0|1,0,0]=3 4217 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,2,0,0,0,0|1,0,0]=3 4218 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,2,0,0,0,0|1,0,0]=3 4219 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,2,0,0,0,0|1,0,0]=3 4220 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,2,0,0,0,0|0,0,0]=2 4221 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,2,0,0,0,0|1,0,1]=4 4222 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,2,0,0,0,0|1,0,0]=3 4223 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,2,0,0,0,0|1,0,0]=3 4224 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,2,0,0,0,0|1,0,0]=3 4225 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,2,0,0,0,0|1,0,0]=3 4226 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,2,0,0,0,0|1,0,1]=4 4227 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,2,0,0,0,0|1,0,1]=4 4228 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,2,0,0,0,0|1,0,0]=3 4229 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,2,0,0,0,0|1,0,0]=3 4230 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,2,0,0,0,0|1,0,0]=3 4231 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,2,0,0,0,0|1,0,0]=3 4232 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,2,0,0,0,0|1,0,0]=3 4233 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,2,0,0,0,0|1,1,0]=4 4234 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,2,0,0,0,0|1,0,0]=3 4235 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,2,0,0,0,0|1,0,0]=3 4236 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,2,0,0,0,0|1,0,0]=3 4237 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,2,0,0,0,0|0,0,0]=2 4238 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,2,0,0,0,0|1,0,1]=4 4239 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,2,0,0,0,0|1,0,1]=4 4240 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,2,0,0,0,0|1,0,1]=4 4241 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,2,0,0,0,0|1,0,1]=4 4242 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,2,0,0,0,0|2,0,0]=4 4243 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,2,0,0,0,0|1,0,0]=3 4244 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,2,0,0,0,0|1,0,0]=3 4245 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,2,0,0,0,0|1,0,0]=3 4246 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,2,0,0,0,0|1,0,0]=3 4247 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,2,0,0,0,0|1,0,0]=3 4248 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,2,0,0,0,0|0,0,1]=3 4249 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [0,2,0,0,0,0|1,0,1]=4 4250 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [0,2,0,0,0,0|1,0,1]=4 4251 B8R0.7 COCCOC[N+](=O)[O-] 34a_100000210237_100000761209 [0,2,0,0,0,0|1,0,1]=4 4252 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,2,0,0,0,0|1,0,0]=3 4253 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,2,0,0,0,0|1,0,0]=3 4254 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,2,0,0,0,0|0,0,1]=3 4255 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,2,0,0,0,0|0,0,1]=3 4256 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,2,0,0,0,0|1,0,1]=4 4257 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,2,0,0,0,0|1,0,1]=4 4258 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,2,0,0,0,0|1,0,1]=4 4259 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,2,0,0,0,0|1,0,1]=4 4260 B8R0.7 COCCSC[N+](=O)[O-] 62a_100000233755_100000761209 [0,2,0,0,0,0|1,0,1]=4 4261 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,2,0,0,0,0|1,0,1]=4 4262 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,2,0,0,0,0|1,0,0]=3 4263 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,2,0,0,0,0|1,0,0]=3 4264 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,2,0,0,0,0|1,0,0]=3 4265 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,2,0,0,0,0|1,0,0]=3 4266 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,2,0,0,0,0|1,0,0]=3 4267 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,2,0,0,0,0|1,0,1]=4 4268 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,2,0,0,0,0|1,0,1]=4 4269 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,2,0,0,0,0|2,0,0]=4 4270 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,2,0,0,0,0|2,0,0]=4 4271 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,2,0,0,0,0|1,0,1]=4 4272 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,2,0,0,0,0|1,0,1]=4 4273 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,2,0,0,0,0|1,0,0]=3 4274 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,2,0,0,0,0|1,0,0]=3 4275 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,2,0,0,0,0|1,0,0]=3 4276 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,2,0,0,0,0|1,0,0]=3 4277 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,2,0,0,0,0|1,0,0]=3 4278 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,2,0,0,0,0|1,0,0]=3 4279 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,2,0,0,0,0|1,0,0]=3 4280 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,2,0,0,0,0|1,0,0]=3 4281 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,2,0,0,0,0|1,1,0]=4 4282 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,2,0,0,0,0|1,1,0]=4 4283 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,2,0,0,0,0|1,0,0]=3 4284 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,2,0,0,0,0|1,0,0]=3 4285 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,2,0,0,0,0|1,0,0]=3 4286 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,2,0,0,0,0|1,0,0]=3 4287 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,2,0,0,0,0|0,0,0]=2 4288 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,2,0,0,0,0|1,0,1]=4 4289 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,2,0,0,0,0|1,0,1]=4 4290 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,2,0,0,0,0|1,0,1]=4 4291 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,2,0,0,0,0|1,0,1]=4 4292 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,2,0,0,0,0|1,0,0]=3 4293 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,2,0,0,0,0|1,0,0]=3 4294 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,2,0,0,0,0|1,0,0]=3 4295 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,2,0,0,0,0|1,0,0]=3 4296 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,2,0,0,0,0|1,0,0]=3 4297 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,2,0,0,0,0|0,0,1]=3 4298 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,2,0,0,0,0|1,0,1]=4 4299 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,2,0,0,0,0|1,0,1]=4 4300 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,2,0,0,0,0|1,0,1]=4 4301 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,2,0,0,0,0|1,0,1]=4 4302 B8R0.7 CSCCOC[N+](=O)[O-] 34a_100000230434_100000761209 [0,2,0,0,0,0|1,0,1]=4 4303 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,2,0,0,0,0|1,0,0]=3 4304 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,2,0,0,0,0|1,0,0]=3 4305 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,2,0,0,0,0|0,0,1]=3 4306 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,2,0,0,0,0|0,0,1]=3 4307 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,2,0,0,0,0|1,0,1]=4 4308 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,2,0,0,0,0|1,0,1]=4 4309 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,2,0,0,0,0|1,0,1]=4 4310 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,2,0,0,0,0|1,0,1]=4 4311 B8R0.7 CSCCSC[N+](=O)[O-] 62a_100000212216_100000761209 [0,2,0,0,0,0|1,0,1]=4 4312 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,2,0,0,0,0|1,0,1]=4 4313 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,2,0,0,0,0|1,0,0]=3 4314 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,2,0,0,0,0|1,0,0]=3 4315 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,2,0,0,0,0|1,0,0]=3 4316 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,2,0,0,0,0|1,0,0]=3 4317 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,2,0,0,0,0|1,0,0]=3 4318 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,2,0,0,0,0|1,0,0]=3 4319 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,2,0,0,0,0|1,0,0]=3 4320 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,2,0,0,0,0|1,0,1]=4 4321 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,2,0,0,0,0|1,0,1]=4 4322 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,2,0,0,0,0|2,0,0]=4 4323 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,2,0,0,0,0|2,0,0]=4 4324 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,2,0,0,0,0|1,0,1]=4 4325 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,2,0,0,0,0|1,0,1]=4 4326 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,2,0,0,0,0|1,0,1]=4 4327 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,2,0,0,0,0|1,0,1]=4 4328 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,2,0,0,0,0|1,0,1]=4 4329 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,2,0,0,0,0|1,0,1]=4 4330 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,2,0,0,0,0|1,0,1]=4 4331 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,2,0,0,0,0|1,0,1]=4 4332 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,2,0,0,0,0|1,0,1]=4 4333 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,2,0,0,0,0|1,0,1]=4 4334 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,2,0,0,0,0|1,0,1]=4 4335 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,2,0,0,0,0|0,0,1]=3 4336 B8R0.7 N#CCCSCC(=O)N 62a_100000747473_100011215226 [0,2,0,0,0,0|1,0,1]=4 4337 B8R0.7 N#CCCSCC(=O)N 62a_100011215226_100000747473 [0,2,0,0,0,0|1,0,1]=4 4338 B8R0.7 N#CCCSCC(=O)[O-] 62a_100011215226_100020667443 [0,2,0,0,0,0|0,0,2]=4 4339 B8R0.7 N#CCCSCC(=O)[O-] 62a_100020667443_100011215226 [0,2,0,0,0,0|0,0,2]=4 4340 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [0,2,0,0,0,0|1,0,1]=4 4341 B8R0.7 N#CCOCCC(=O)N 7a_100000757172_100011215382 [0,2,0,0,0,0|1,0,1]=4 4342 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [0,2,0,0,0,0|1,0,1]=4 4343 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [0,2,0,0,0,0|1,0,1]=4 4344 B8R0.7 N#CSCNCC(=O)O 269956a_100016091260_100000211825 [0,2,0,0,0,0|1,0,1]=4 4345 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,2,0,0,0,0|1,0,0]=3 4346 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,2,0,0,0,0|1,0,0]=3 4347 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,2,0,0,0,0|1,0,0]=3 4348 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,2,0,0,0,0|1,0,0]=3 4349 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,2,0,0,0,0|1,0,0]=3 4350 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,2,0,0,0,0|1,0,0]=3 4351 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,2,0,0,0,0|1,0,1]=4 4352 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,2,0,0,0,0|1,0,1]=4 4353 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,2,0,0,0,0|1,0,0]=3 4354 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,2,0,0,0,0|1,0,0]=3 4355 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,2,0,0,0,0|1,0,0]=3 4356 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,2,0,0,0,0|1,0,0]=3 4357 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,2,0,0,0,0|1,0,0]=3 4358 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,2,0,0,0,0|1,0,1]=4 4359 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,2,0,0,0,0|1,0,1]=4 4360 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,2,0,0,0,0|1,0,0]=3 4361 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,2,0,0,0,0|1,0,0]=3 4362 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,2,0,0,0,0|1,0,0]=3 4363 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,2,0,0,0,0|1,0,0]=3 4364 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,2,0,0,0,0|1,0,0]=3 4365 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,2,0,0,0,0|1,0,0]=3 4366 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,2,0,0,0,0|1,0,0]=3 4367 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,2,0,0,0,0|1,0,0]=3 4368 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,2,0,0,0,0|1,0,0]=3 4369 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,2,0,0,0,0|1,0,0]=3 4370 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,2,0,0,0,0|1,0,0]=3 4371 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,2,0,0,0,0|1,0,0]=3 4372 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,2,0,0,0,0|1,0,0]=3 4373 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,2,0,0,0,0|1,0,0]=3 4374 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,2,0,0,0,0|1,0,0]=3 4375 B8R0.7 NC(=O)NCCNCF 34a_100020590234_100015361967 [0,2,0,0,0,0|2,0,0]=4 4376 B8R0.7 NC(=O)NCCOCF 34a_100000181757_100015361967 [0,2,0,0,0,0|2,0,0]=4 4377 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,2,0,0,0,0|2,0,0]=4 4378 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,2,0,0,0,0|2,0,0]=4 4379 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [0,2,0,0,0,0|2,0,0]=4 4380 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,2,0,0,0,0|2,0,0]=4 4381 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,2,0,0,0,0|2,0,0]=4 4382 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,2,0,0,0,0|1,0,0]=3 4383 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,2,0,0,0,0|0,0,1]=3 4384 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [0,2,0,0,0,0|1,0,1]=4 4385 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,2,0,0,0,0|1,0,0]=3 4386 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,2,0,0,0,0|2,0,0]=4 4387 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,2,0,0,0,0|1,0,1]=4 4388 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,2,0,0,0,0|0,0,0]=2 4389 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,2,0,0,0,0|0,0,0]=2 4390 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,2,0,0,0,0|1,0,0]=3 4391 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,2,0,0,0,0|1,0,0]=3 4392 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,2,0,0,0,0|0,0,1]=3 4393 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,2,0,0,0,0|0,0,1]=3 4394 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,2,0,0,0,0|0,0,1]=3 4395 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,2,0,0,0,0|0,0,1]=3 4396 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,2,0,0,0,0|0,0,1]=3 4397 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,2,0,0,0,0|0,0,1]=3 4398 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,2,0,0,0,0|0,0,1]=3 4399 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,2,0,0,0,0|0,0,1]=3 4400 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,2,0,0,0,0|1,0,1]=4 4401 B8R0.7 O=[N+]([O-])CCCOCF 34a_200000037920_100015361967 [0,2,0,0,0,0|1,0,1]=4 4402 B8R0.7 O=[N+]([O-])CNCCCF 34a_100015189416_100000761209 [0,2,0,0,0,0|1,0,1]=4 4403 B8R0.7 O=[N+]([O-])COCCCBr 34a_100011217188_100000761209 [0,2,0,0,0,0|1,0,1]=4 4404 B8R0.7 O=[N+]([O-])COCCCCl 34a_100000230001_100000761209 [0,2,0,0,0,0|1,0,1]=4 4405 B8R0.7 O=[N+]([O-])COCCCF 34a_100000759539_100000761209 [0,2,0,0,0,0|1,0,1]=4 4406 B8R0.7 O=[N+]([O-])CSCCCF 62a_100011934791_100000761209 [0,2,0,0,0,0|1,0,1]=4 4407 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [0,2,0,0,0,0|1,0,1]=4 4408 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,2,0,0,0,0|1,0,0]=3 4409 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4410 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,2,0,0,0,0|1,0,0]=3 4411 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,2,0,0,0,0|1,0,0]=3 4412 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,2,0,0,0,0|0,0,0]=2 4413 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,2,0,0,0,0|1,0,0]=3 4414 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,2,0,0,0,0|1,0,0]=3 4415 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,2,0,0,0,0|1,0,1]=4 4416 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,2,0,0,0,0|1,0,1]=4 4417 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,2,0,0,0,0|1,0,1]=4 4418 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,2,0,0,0,0|1,0,1]=4 4419 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,2,0,0,0,0|1,0,0]=3 4420 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,2,0,0,0,0|1,0,0]=3 4421 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [0,2,0,0,0,0|1,0,1]=4 4422 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [0,2,0,0,0,0|1,0,1]=4 4423 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [0,2,0,0,0,0|1,0,1]=4 4424 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [0,2,0,0,0,0|1,0,1]=4 4425 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [0,2,0,0,0,0|1,0,1]=4 4426 B8R0.21 CCCOCS(=O)(=O)[O-] 34a_100000210258_100009817235 [0,2,0,0,0,0|1,0,1]=4 4427 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [0,2,0,0,0,0|1,0,1]=4 4428 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [0,2,0,0,0,0|1,0,1]=4 4429 B8R0.21 CCCSCS(=O)(=O)N 62a_100000210303_100000741382 [0,2,0,0,0,0|1,0,1]=4 4430 B8R0.21 CCCSCS(=O)(=O)N 62a_100000741382_100000210303 [0,2,0,0,0,0|1,0,1]=4 4431 B8R0.21 CCCSCS(=O)(=O)[O-] 62a_100000210303_100009817235 [0,2,0,0,0,0|1,0,1]=4 4432 B8R0.21 CCCSCS(=O)(=O)[O-] 62a_100009817235_100000210303 [0,2,0,0,0,0|1,0,1]=4 4433 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [0,2,0,0,0,0|1,0,1]=4 4434 B8R0.21 CCNCCS(=O)(=O)C 2230a_100000740961_100000210202 [0,2,0,0,0,0|1,0,1]=4 4435 B8R0.21 CCNCCS(=O)(=O)C 2230a_100015525214_100000731031 [0,2,0,0,0,0|1,0,1]=4 4436 B8R0.21 CCNCCS(=O)(=O)C 34a_100000740961_100000210202 [0,2,0,0,0,0|1,0,1]=4 4437 B8R0.21 CCNCCS(=O)(=O)N 2230a_100000738205_100000210202 [0,2,0,0,0,0|1,0,1]=4 4438 B8R0.21 CCNCCS(=O)(=O)N 34a_100000738205_100000210202 [0,2,0,0,0,0|1,0,1]=4 4439 B8R0.21 CCNCCS(=O)(=O)[O-] 2230a_100015525214_100000737633 [0,2,0,0,0,0|1,0,1]=4 4440 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [0,2,0,0,0,0|1,0,1]=4 4441 B8R0.21 CCOCCS(=O)(=O)C 34a_100000211924_100000210202 [0,2,0,0,0,0|1,0,1]=4 4442 B8R0.21 CCOCCS(=O)(=O)C 34a_100121572206_100000731031 [0,2,0,0,0,0|1,0,1]=4 4443 B8R0.21 CCOCCS(=O)(=O)C 7a_100000211924_100000210202 [0,2,0,0,0,0|1,0,1]=4 4444 B8R0.21 CCOCCS(=O)(=O)N 34a_100012334274_100000210202 [0,2,0,0,0,0|1,0,1]=4 4445 B8R0.21 CCOCCS(=O)(=O)[O-] 34a_100121572206_100000762736 [0,2,0,0,0,0|1,0,1]=4 4446 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [0,2,0,0,0,0|1,0,1]=4 4447 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [0,2,0,0,0,0|1,0,1]=4 4448 B8R0.21 CCSCCS(=O)(=O)C 62a_100000210202_100000230027 [0,2,0,0,0,0|1,0,1]=4 4449 B8R0.21 CCSCCS(=O)(=O)C 62a_100000731031_100000210202 [0,2,0,0,0,0|1,0,1]=4 4450 B8R0.21 CCSCCS(=O)(=O)[O-] 62a_100000210202_100000762736 [0,2,0,0,0,0|1,0,1]=4 4451 B8R0.21 CCSCCS(=O)(=O)[O-] 62a_100000762736_100000210202 [0,2,0,0,0,0|1,0,1]=4 4452 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [0,2,0,0,0,0|1,0,1]=4 4453 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [0,2,0,0,0,0|1,0,1]=4 4454 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [0,2,0,0,0,0|1,0,1]=4 4455 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [0,2,0,0,0,0|1,0,1]=4 4456 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [0,2,0,0,0,0|1,0,1]=4 4457 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [0,2,0,0,0,0|1,0,1]=4 4458 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [0,2,0,0,0,0|1,0,1]=4 4459 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [0,2,0,0,0,0|1,0,1]=4 4460 B8R0.21 CNCCCS(=O)(=O)N 2230a_106832991635_100000750626 [0,2,0,0,0,0|1,0,1]=4 4461 B8R0.21 CNCCCS(=O)(=O)N 34a_100102657272_100000750626 [0,2,0,0,0,0|1,0,1]=4 4462 B8R0.21 CNCCCS(=O)(=O)N 7a_106832991635_100000750626 [0,2,0,0,0,0|1,0,1]=4 4463 B8R0.21 CNCCCS(=O)(=O)[O-] 34a_100102657272_100009813499 [0,2,0,0,0,0|1,0,1]=4 4464 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [0,2,0,0,0,0|1,0,1]=4 4465 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [0,2,0,0,0,0|1,0,1]=4 4466 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [0,2,0,0,0,0|1,0,1]=4 4467 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [0,2,0,0,0,0|1,0,1]=4 4468 B8R0.21 COCCCS(=O)(=O)N 34a_100138415774_100000750626 [0,2,0,0,0,0|1,0,1]=4 4469 B8R0.21 COCCCS(=O)(=O)[O-] 34a_100138415774_100009813499 [0,2,0,0,0,0|1,0,1]=4 4470 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [0,2,0,0,0,0|1,0,1]=4 4471 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [0,2,0,0,0,0|1,0,1]=4 4472 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [0,2,0,0,0,0|1,0,1]=4 4473 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [0,2,0,0,0,0|1,0,1]=4 4474 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [0,2,0,0,0,0|1,0,1]=4 4475 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [0,2,0,0,0,0|1,0,1]=4 4476 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [0,2,0,0,0,0|1,0,1]=4 4477 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [0,2,0,0,0,0|1,0,1]=4 4478 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [0,2,0,0,0,0|1,0,1]=4 4479 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [0,2,0,0,0,0|1,0,1]=4 4480 B8R0.21 CSCCCS(=O)(=O)N 62a_100000750626_200000210301 [0,2,0,0,0,0|1,0,1]=4 4481 B8R0.21 CSCCCS(=O)(=O)N 62a_200000210301_100000750626 [0,2,0,0,0,0|1,0,1]=4 4482 B8R0.21 CSCCCS(=O)(=O)[O-] 62a_100009813499_200000210301 [0,2,0,0,0,0|1,0,1]=4 4483 B8R0.21 CSCCCS(=O)(=O)[O-] 62a_200000210301_100009813499 [0,2,0,0,0,0|1,0,1]=4 4484 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_100000750626_200025704644 [0,2,0,0,0,0|1,0,1]=4 4485 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_200025704644_100000750626 [0,2,0,0,0,0|1,0,1]=4 4486 B8R0.21 [13CH3]SCCCS(=O)(=O)[O-] 62a_100009813499_200025704644 [0,2,0,0,0,0|1,0,1]=4 4487 B8R0.21 [13CH3]SCCCS(=O)(=O)[O-] 62a_200025704644_100009813499 [0,2,0,0,0,0|1,0,1]=4 4488 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [0,2,0,0,0,0|2,0,0]=4 4489 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,2,0,0,0,0|2,0,0]=4 4490 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,2,0,0,0,0|2,0,0]=4 4491 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,2,0,0,0,0|2,0,0]=4 4492 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,2,0,0,0,0|2,0,0]=4 4493 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,2,0,0,0,0|2,0,0]=4 4494 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,2,0,0,0,0|2,0,0]=4 4495 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,2,0,0,0,0|1,0,1]=4 4496 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,2,0,0,0,0|0,0,1]=3 4497 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,2,0,0,0,0|2,0,0]=4 4498 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,2,0,0,0,0|2,0,0]=4 4499 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,2,0,0,0,0|2,0,0]=4 4500 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,2,0,0,0,0|2,0,0]=4 4501 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,2,0,0,0,0|1,0,1]=4 4502 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,2,0,0,0,0|1,0,1]=4 4503 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,2,0,0,0,0|0,0,2]=4 4504 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,2,0,0,0,0|2,0,0]=4 4505 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,2,0,0,0,0|2,0,0]=4 4506 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,2,0,0,0,0|2,0,0]=4 4507 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,2,0,0,0,0|2,0,0]=4 4508 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,2,0,0,0,0|2,0,0]=4 4509 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,2,0,0,0,0|2,0,0]=4 4510 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,2,0,0,0,0|2,0,0]=4 4511 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,2,0,0,0,0|2,0,0]=4 4512 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,2,0,0,0,0|1,0,1]=4 4513 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,2,0,0,0,0|1,0,1]=4 4514 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,2,0,0,0,0|0,0,2]=4 4515 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,2,0,0,0,0|0,0,2]=4 4516 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,2,0,0,0,0|2,0,0]=4 4517 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,2,0,0,0,0|2,0,0]=4 4518 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,2,0,0,0,0|2,0,0]=4 4519 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,2,0,0,0,0|2,0,0]=4 4520 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,2,0,0,0,0|2,0,0]=4 4521 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,2,0,0,0,0|2,0,0]=4 4522 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,2,0,0,0,0|0,0,2]=4 4523 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,2,0,0,0,0|2,0,0]=4 4524 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,2,0,0,0,0|2,0,0]=4 4525 B8R0.28 C=C(F)CNCC(C)O 2230a_100000210904_100009893438 [0,2,0,0,0,0|2,0,0]=4 4526 B8R0.28 C=C(F)CNCC(C)O 34a_100000210904_100009893438 [0,2,0,0,0,0|2,0,0]=4 4527 B8R0.28 C=C(F)COCC(C)Br 34a_100012180447_100009893438 [0,2,0,0,0,0|2,0,0]=4 4528 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,2,0,0,0,0|2,0,0]=4 4529 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,2,0,0,0,0|2,0,0]=4 4530 B8R0.28 C=C(F)COCC(C)F 34a_100015925927_100009893438 [0,2,0,0,0,0|2,0,0]=4 4531 B8R0.28 C=C(F)COCC(C)O 34a_200010262243_100011218427 [0,2,0,0,0,0|2,0,0]=4 4532 B8R0.28 C=C(F)COC[C@@H](C)Cl 34a_100016084084_100009893438 [0,2,0,0,0,0|2,0,0]=4 4533 B8R0.28 C=C(F)COC[C@@H](C)N 34a_100000737577_100009893438 [0,2,0,0,0,0|2,0,0]=4 4534 B8R0.28 C=C(F)COC[C@@H](C)O 34a_200010262243_100009817552 [0,2,0,0,0,0|2,0,0]=4 4535 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [0,2,0,0,0,0|2,0,0]=4 4536 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [0,2,0,0,0,0|2,0,0]=4 4537 B8R0.28 C=C(F)CSCC(C)O 62a_100000042424_100011218427 [0,2,0,0,0,0|2,0,0]=4 4538 B8R0.28 C=C(F)CSCC(C)O 62a_100011218427_100000042424 [0,2,0,0,0,0|2,0,0]=4 4539 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100000042424_100009817552 [0,2,0,0,0,0|2,0,0]=4 4540 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100009817552_100000042424 [0,2,0,0,0,0|2,0,0]=4 4541 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,2,0,0,0,0|1,0,1]=4 4542 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,2,0,0,0,0|1,0,1]=4 4543 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,2,0,0,0,0|1,0,0]=3 4544 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,2,0,0,0,0|1,0,0]=3 4545 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,2,0,0,0,0|1,0,0]=3 4546 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,2,0,0,0,0|1,0,0]=3 4547 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,2,0,0,0,0|1,0,0]=3 4548 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,2,0,0,0,0|1,0,0]=3 4549 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,2,0,0,0,0|1,0,0]=3 4550 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,2,0,0,0,0|1,0,1]=4 4551 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,2,0,0,0,0|1,0,1]=4 4552 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,2,0,0,0,0|1,0,1]=4 4553 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,2,0,0,0,0|1,0,1]=4 4554 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,2,0,0,0,0|1,0,1]=4 4555 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,2,0,0,0,0|1,0,1]=4 4556 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,2,0,0,0,0|1,0,1]=4 4557 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,2,0,0,0,0|1,0,0]=3 4558 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,2,0,0,0,0|1,0,0]=3 4559 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,2,0,0,0,0|1,0,0]=3 4560 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,2,0,0,0,0|1,0,1]=4 4561 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,2,0,0,0,0|1,0,0]=3 4562 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,2,0,0,0,0|1,0,0]=3 4563 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,2,0,0,0,0|1,0,0]=3 4564 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,2,0,0,0,0|1,0,1]=4 4565 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,2,0,0,0,0|1,0,1]=4 4566 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,2,0,0,0,0|0,0,2]=4 4567 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,2,0,0,0,0|1,0,0]=3 4568 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,2,0,0,0,0|1,0,0]=3 4569 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,2,0,0,0,0|1,0,0]=3 4570 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,2,0,0,0,0|2,0,0]=4 4571 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,2,0,0,0,0|1,0,0]=3 4572 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,2,0,0,0,0|1,0,1]=4 4573 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,2,0,0,0,0|1,0,1]=4 4574 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,2,0,0,0,0|1,0,1]=4 4575 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,2,0,0,0,0|1,0,1]=4 4576 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,2,0,0,0,0|1,0,0]=3 4577 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,2,0,0,0,0|1,0,0]=3 4578 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,2,0,0,0,0|1,0,0]=3 4579 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,2,0,0,0,0|1,0,0]=3 4580 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,2,0,0,0,0|1,0,0]=3 4581 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,2,0,0,0,0|1,0,0]=3 4582 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,2,0,0,0,0|2,0,0]=4 4583 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,2,0,0,0,0|2,0,0]=4 4584 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,2,0,0,0,0|2,0,0]=4 4585 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,2,0,0,0,0|2,0,0]=4 4586 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,2,0,0,0,0|2,0,0]=4 4587 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,2,0,0,0,0|2,0,0]=4 4588 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,2,0,0,0,0|2,0,0]=4 4589 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,2,0,0,0,0|2,0,0]=4 4590 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,2,0,0,0,0|2,0,0]=4 4591 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,2,0,0,0,0|2,0,0]=4 4592 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,2,0,0,0,0|2,0,0]=4 4593 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,2,0,0,0,0|1,0,1]=4 4594 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,2,0,0,0,0|1,0,0]=3 4595 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,2,0,0,0,0|0,0,1]=3 4596 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [0,2,0,0,0,0|1,0,1]=4 4597 B8R0.28 CC(Br)COC[N+](=O)[O-] 34a_100012180447_100000761209 [0,2,0,0,0,0|1,0,1]=4 4598 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,2,0,0,0,0|1,0,1]=4 4599 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,2,0,0,0,0|1,0,0]=3 4600 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,2,0,0,0,0|1,0,0]=3 4601 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,2,0,0,0,0|1,0,0]=3 4602 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,2,0,0,0,0|1,0,0]=3 4603 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,2,0,0,0,0|0,0,0]=2 4604 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,2,0,0,0,0|0,0,1]=3 4605 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,2,0,0,0,0|1,0,1]=4 4606 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,2,0,0,0,0|1,0,1]=4 4607 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,2,0,0,0,0|1,0,1]=4 4608 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,2,0,0,0,0|1,0,1]=4 4609 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,2,0,0,0,0|1,0,1]=4 4610 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,2,0,0,0,0|1,0,1]=4 4611 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,2,0,0,0,0|1,0,1]=4 4612 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,2,0,0,0,0|1,0,1]=4 4613 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,2,0,0,0,0|1,0,0]=3 4614 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,2,0,0,0,0|1,0,0]=3 4615 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,2,0,0,0,0|0,0,1]=3 4616 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,2,0,0,0,0|1,0,1]=4 4617 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,2,0,0,0,0|1,0,1]=4 4618 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,2,0,0,0,0|1,0,1]=4 4619 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,2,0,0,0,0|1,0,0]=3 4620 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,2,0,0,0,0|1,0,0]=3 4621 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,2,0,0,0,0|0,0,1]=3 4622 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,2,0,0,0,0|0,0,1]=3 4623 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,2,0,0,0,0|1,0,1]=4 4624 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,2,0,0,0,0|1,0,1]=4 4625 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,2,0,0,0,0|1,0,1]=4 4626 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,2,0,0,0,0|1,0,1]=4 4627 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,2,0,0,0,0|1,0,1]=4 4628 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,2,0,0,0,0|1,0,0]=3 4629 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,2,0,0,0,0|1,0,0]=3 4630 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,2,0,0,0,0|1,0,0]=3 4631 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,2,0,0,0,0|1,0,0]=3 4632 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,2,0,0,0,0|1,0,0]=3 4633 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,2,0,0,0,0|1,0,0]=3 4634 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,2,0,0,0,0|1,0,0]=3 4635 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,2,0,0,0,0|1,0,0]=3 4636 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,2,0,0,0,0|1,0,0]=3 4637 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,2,0,0,0,0|0,0,1]=3 4638 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [0,2,0,0,0,0|1,0,1]=4 4639 B8R0.28 CC(F)COC[N+](=O)[O-] 34a_100015925927_100000761209 [0,2,0,0,0,0|1,0,1]=4 4640 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,2,0,0,0,0|1,0,1]=4 4641 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,2,0,0,0,0|1,0,1]=4 4642 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,2,0,0,0,0|1,0,1]=4 4643 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,2,0,0,0,0|1,0,1]=4 4644 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,2,0,0,0,0|1,0,1]=4 4645 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,2,0,0,0,0|1,0,1]=4 4646 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,2,0,0,0,0|1,0,1]=4 4647 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,2,0,0,0,0|1,0,1]=4 4648 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,2,0,0,0,0|1,0,0]=3 4649 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,2,0,0,0,0|1,0,0]=3 4650 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,2,0,0,0,0|1,0,0]=3 4651 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,2,0,0,0,0|0,0,0]=2 4652 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,2,0,0,0,0|0,0,1]=3 4653 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,2,0,0,0,0|1,0,1]=4 4654 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,2,0,0,0,0|1,0,1]=4 4655 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,2,0,0,0,0|1,0,1]=4 4656 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,2,0,0,0,0|1,0,1]=4 4657 B8R0.28 CC(O)CNC[N+](=O)[O-] 34a_100000210904_100000761209 [0,2,0,0,0,0|1,0,1]=4 4658 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [0,2,0,0,0,0|1,0,1]=4 4659 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [0,2,0,0,0,0|1,0,1]=4 4660 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,2,0,0,0,0|1,0,1]=4 4661 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,2,0,0,0,0|1,0,1]=4 4662 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,2,0,0,0,0|1,0,0]=3 4663 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,2,0,0,0,0|1,0,0]=3 4664 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,2,0,0,0,0|0,0,1]=3 4665 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,2,0,0,0,0|0,0,1]=3 4666 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,2,0,0,0,0|1,0,1]=4 4667 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,2,0,0,0,0|1,0,1]=4 4668 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,2,0,0,0,0|1,0,1]=4 4669 B8R0.28 CC(O)CSC[N+](=O)[O-] 62a_100011218427_100000761209 [0,2,0,0,0,0|1,0,1]=4 4670 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,2,0,0,0,0|1,0,0]=3 4671 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,2,0,0,0,0|0,0,0]=2 4672 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,2,0,0,0,0|2,0,0]=4 4673 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,2,0,0,0,0|2,0,0]=4 4674 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,2,0,0,0,0|2,0,0]=4 4675 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,2,0,0,0,0|0,0,0]=2 4676 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,2,0,0,0,0|1,0,0]=3 4677 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,2,0,0,0,0|0,0,1]=3 4678 B8R0.28 C[C@@H](Cl)COC[N+](=O)[O-] 34a_100016084084_100000761209 [0,2,0,0,0,0|1,0,1]=4 4679 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,2,0,0,0,0|1,0,0]=3 4680 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,2,0,0,0,0|0,0,1]=3 4681 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,2,0,0,0,0|1,0,1]=4 4682 B8R0.28 C[C@@H](N)COC[N+](=O)[O-] 34a_100000737577_100000761209 [0,2,0,0,0,0|1,0,1]=4 4683 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,2,0,0,0,0|1,0,0]=3 4684 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,2,0,0,0,0|0,0,0]=2 4685 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,2,0,0,0,0|1,0,1]=4 4686 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,2,0,0,0,0|1,0,0]=3 4687 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,2,0,0,0,0|1,0,0]=3 4688 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,2,0,0,0,0|0,0,1]=3 4689 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,2,0,0,0,0|0,0,1]=3 4690 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,2,0,0,0,0|1,0,1]=4 4691 B8R0.28 C[C@@H](O)CSC[N+](=O)[O-] 62a_100009817552_100000761209 [0,2,0,0,0,0|1,0,1]=4 4692 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,2,0,0,0,0|1,0,1]=4 4693 B8R0.28 NC(=O)CNCC(F)F 2230a_100000711301_100011934356 [0,2,0,0,0,0|2,0,0]=4 4694 B8R0.28 NC(=O)CNCC(F)F 34a_100000765723_100000187820 [0,2,0,0,0,0|2,0,0]=4 4695 B8R0.28 NC(=O)COCC(F)F 34a_100000743014_100000187820 [0,2,0,0,0,0|2,0,0]=4 4696 B8R0.28 NC(=O)CSCC(F)F 62a_100000747473_100011934356 [0,2,0,0,0,0|2,0,0]=4 4697 B8R0.28 NC(=O)CSCC(F)F 62a_100011934356_100000747473 [0,2,0,0,0,0|2,0,0]=4 4698 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,2,0,0,0,0|1,0,0]=3 4699 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,2,0,0,0,0|2,0,0]=4 4700 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,2,0,0,0,0|1,0,1]=4 4701 B8R0.28 O=C([O-])CNCC(F)F 34a_100000765723_100020667443 [0,2,0,0,0,0|1,0,1]=4 4702 B8R0.28 O=C([O-])COCC(F)F 34a_100000743014_100020667443 [0,2,0,0,0,0|1,0,1]=4 4703 B8R0.28 O=C([O-])CSCC(F)F 62a_100011934356_100020667443 [0,2,0,0,0,0|1,0,1]=4 4704 B8R0.28 O=C([O-])CSCC(F)F 62a_100020667443_100011934356 [0,2,0,0,0,0|1,0,1]=4 4705 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,2,0,0,0,0|1,0,1]=4 4706 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,2,0,0,0,0|1,0,1]=4 4707 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,2,0,0,0,0|1,0,1]=4 4708 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,2,0,0,0,0|2,0,0]=4 4709 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,2,0,0,0,0|2,0,0]=4 4710 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,2,0,0,0,0|1,0,0]=3 4711 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,2,0,0,0,0|2,0,0]=4 4712 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,2,0,0,0,0|2,0,0]=4 4713 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,2,0,0,0,0|2,0,0]=4 4714 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,2,0,0,0,0|1,0,0]=3 4715 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,2,0,0,0,0|1,0,0]=3 4716 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,2,0,0,0,0|2,0,0]=4 4717 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,2,0,0,0,0|2,0,0]=4 4718 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,2,0,0,0,0|2,0,0]=4 4719 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,2,0,0,0,0|2,0,0]=4 4720 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,2,0,0,0,0|2,0,0]=4 4721 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,2,0,0,0,0|2,0,0]=4 4722 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,2,0,0,0,0|2,0,0]=4 4723 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,2,0,0,0,0|2,0,0]=4 4724 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,2,0,0,0,0|2,0,0]=4 4725 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,2,0,0,0,0|2,0,0]=4 4726 B8R0.12 CCOC(F)(F)C(=O)[O-] 34a_100121572206_100020612412 [0,2,0,0,0,0|1,0,1]=4 4727 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,2,0,0,0,0|2,0,0]=4 4728 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,2,0,0,0,0|2,0,0]=4 4729 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,2,0,0,0,0|2,0,0]=4 4730 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,2,0,0,0,0|2,0,0]=4 4731 B8R0.12 CCSC(F)(F)C(=O)N 62a_100000210202_100009811971 [0,2,0,0,0,0|2,0,0]=4 4732 B8R0.12 CCSC(F)(F)C(=O)N 62a_100009811971_100000210202 [0,2,0,0,0,0|2,0,0]=4 4733 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000210202_100000745680 [0,2,0,0,0,0|1,0,1]=4 4734 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210202 [0,2,0,0,0,0|1,0,1]=4 4735 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,2,0,0,0,0|2,0,0]=4 4736 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,2,0,0,0,0|2,0,0]=4 4737 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,2,0,0,0,0|2,0,0]=4 4738 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,2,0,0,0,0|1,0,0]=3 4739 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,2,0,0,0,0|1,0,0]=3 4740 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,2,0,0,0,0|2,0,0]=4 4741 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,2,0,0,0,0|2,0,0]=4 4742 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,2,0,0,0,0|2,0,0]=4 4743 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,2,0,0,0,0|2,0,0]=4 4744 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,2,0,0,0,0|1,0,0]=3 4745 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|1,0,0]=3 4746 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,2,0,0,0,0|2,0,0]=4 4747 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|1,0,0]=3 4748 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|1,0,0]=3 4749 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|1,0,0]=3 4750 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|1,0,0]=3 4751 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|1,0,0]=3 4752 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|1,0,0]=3 4753 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|1,0,0]=3 4754 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 4755 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 4756 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 4757 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,2,0,0,0,0|2,0,0]=4 4758 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,2,0,0,0,0|1,0,0]=3 4759 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,2,0,0,0,0|1,0,0]=3 4760 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|0,0,0]=2 4761 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,2,0,0,0,0|1,0,0]=3 4762 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,2,0,0,0,0|1,0,0]=3 4763 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|0,0,0]=2 4764 B8R0.15 CCNC(C#N)C(=O)N 2230a_100000039599_100000210202 [0,2,0,0,0,0|2,0,0]=4 4765 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,2,0,0,0,0|2,0,0]=4 4766 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,2,0,0,0,0|2,0,0]=4 4767 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,2,0,0,0,0|2,0,0]=4 4768 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|1,0,0]=3 4769 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,2,0,0,0,0|2,0,0]=4 4770 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|2,0,0]=4 4771 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|1,0,0]=3 4772 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,2,0,0,0,0|2,0,0]=4 4773 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,2,0,0,0,0|2,0,0]=4 4774 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,2,0,0,0,0|2,0,0]=4 4775 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|2,0,0]=4 4776 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|1,0,0]=3 4777 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|1,0,0]=3 4778 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|1,0,0]=3 4779 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|1,0,0]=3 4780 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|1,0,0]=3 4781 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|1,0,0]=3 4782 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,2,0,0,0,0|2,0,0]=4 4783 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,2,0,0,0,0|1,0,0]=3 4784 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,2,0,0,0,0|1,0,0]=3 4785 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,2,0,0,0,0|1,0,0]=3 4786 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000070787_100011219754 [0,2,0,0,0,0|2,0,0]=4 4787 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000755318_200000210301 [0,2,0,0,0,0|2,0,0]=4 4788 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [0,2,0,0,0,0|2,0,0]=4 4789 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [0,2,0,0,0,0|2,0,0]=4 4790 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,2,0,0,0,0|2,0,0]=4 4791 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,2,0,0,0,0|1,1,0]=4 4792 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,2,0,0,0,0|1,1,0]=4 4793 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,2,0,0,0,0|2,0,0]=4 4794 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,2,0,0,0,0|2,0,0]=4 4795 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,2,0,0,0,0|2,0,0]=4 4796 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,2,0,0,0,0|2,0,0]=4 4797 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,2,0,0,0,0|2,0,0]=4 4798 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,2,0,0,0,0|2,0,0]=4 4799 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,2,0,0,0,0|2,0,0]=4 4800 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,2,0,0,0,0|2,0,0]=4 4801 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,2,0,0,0,0|2,0,0]=4 4802 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,2,0,0,0,0|2,0,0]=4 4803 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,2,0,0,0,0|2,0,0]=4 4804 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,2,0,0,0,0|2,0,0]=4 4805 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,2,0,0,0,0|2,0,0]=4 4806 B8R0.29 CC(=O)NCC(C)(F)F 11a_100000731000_100015343762 [0,2,0,0,0,0|2,0,0]=4 4807 B8R0.29 CC(=O)NCC(C)(F)F 1626a_100000731000_100015343762 [0,2,0,0,0,0|2,0,0]=4 4808 B8R0.29 CC(=O)NCC(C)(F)F 240690a_100000731000_100015343762 [0,2,0,0,0,0|2,0,0]=4 4809 B8R0.29 CC(=O)NCC(C)(F)F 527a_100000731000_100103153847 [0,2,0,0,0,0|2,0,0]=4 4810 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,2,0,0,0,0|1,0,0]=3 4811 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,2,0,0,0,0|2,0,0]=4 4812 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,2,0,0,0,0|1,0,0]=3 4813 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,2,0,0,0,0|2,0,0]=4 4814 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,2,0,0,0,0|2,0,0]=4 4815 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,2,0,0,0,0|2,0,0]=4 4816 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,2,0,0,0,0|1,0,1]=4 4817 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,2,0,0,0,0|2,0,0]=4 4818 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,2,0,0,0,0|2,0,0]=4 4819 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,2,0,0,0,0|1,0,1]=4 4820 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,2,0,0,0,0|1,0,1]=4 4821 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,2,0,0,0,0|1,0,0]=3 4822 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [0,2,0,0,0,0|2,0,0]=4 4823 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,2,0,0,0,0|1,1,0]=4 4824 B8R0.29 O=C(O)CNC(F)(F)F 269956a_100016091260_200000243211 [0,2,0,0,0,0|2,0,0]=4 4825 B8R0.29 [13CH3]C(=O)CCC(F)(F)F 1458a_100000755318_200025704644 [0,2,0,0,0,0|2,0,0]=4 4826 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,0]=3 4827 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|2,0,0]=4 4828 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,0]=3 4829 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|2,0,0]=4 4830 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|2,0,0]=4 4831 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|2,0,0]=4 4832 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|2,0,0]=4 4833 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|2,0,0]=4 4834 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|2,0,0]=4 4835 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|2,0,0]=4 4836 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|2,0,0]=4 4837 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|2,0,0]=4 4838 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|2,0,0]=4 4839 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|2,0,0]=4 4840 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|2,0,0]=4 4841 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|2,0,0]=4 4842 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|2,0,0]=4 4843 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|2,0,0]=4 4844 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|2,0,0]=4 4845 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,1,0,0|1,0,1]=4 4846 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [0,1,0,1,0,0|1,0,1]=4 4847 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [0,1,0,1,0,0|1,0,1]=4 4848 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,1,0,0|2,0,0]=4 4849 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,1,0,0|1,0,1]=4 4850 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,1,0,0|2,0,0]=4 4851 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|1,0,0]=3 4852 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,1,0,0|1,0,1]=4 4853 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|1,0,0]=3 4854 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,1,0,0|1,0,1]=4 4855 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,1,0,0|2,0,0]=4 4856 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|1,0,0]=3 4857 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|1,0,0]=3 4858 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,1,0,0|2,0,0]=4 4859 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,1,0,0|1,0,1]=4 4860 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|1,0,0]=3 4861 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,1,0,0|2,0,0]=4 4862 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|1,0,0]=3 4863 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,1,0,1,0,0|1,0,1]=4 4864 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,1,0,1,0,0|1,0,1]=4 4865 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|2,0,0]=4 4866 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|1,0,0]=3 4867 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,1,0,1,0,0|1,0,1]=4 4868 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,1,0,1,0,0|1,0,1]=4 4869 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|2,0,0]=4 4870 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|1,0,0]=3 4871 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,1,0,1,0,0|2,0,0]=4 4872 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,1,0,1,0,0|2,0,0]=4 4873 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,1,0,1,0,0|2,0,0]=4 4874 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,1,0,1,0,0|2,0,0]=4 4875 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,1,0,1,0,0|2,0,0]=4 4876 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,1,0,1,0,0|2,0,0]=4 4877 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|1,0,1]=4 4878 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,1,0,0|1,0,0]=3 4879 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,1,0,0|1,0,0]=3 4880 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,1,0,0|1,0,0]=3 4881 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,1,0,0|0,0,0]=2 4882 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,1,0,0|0,0,0]=2 4883 B8R1.34 C=C(C)CN1CCC1 269982a_100000754969_100000748629 [0,1,0,1,0,0|2,0,0]=4 4884 B8R1.34 C=C(F)CN1CCC1 269982a_100000754969_100009893438 [0,1,0,1,0,0|2,0,0]=4 4885 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,1,0,1,0,0|1,0,1]=4 4886 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,1,0,0|1,0,0]=3 4887 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,1,0,0|1,0,0]=3 4888 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,1,0,1,0,0|1,0,0]=3 4889 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,1,0,1,0,0|1,0,0]=3 4890 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,1,0,1,0,0|1,0,0]=3 4891 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,1,0,1,0,0|1,0,0]=3 4892 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,1,0,1,0,0|1,0,0]=3 4893 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,1,0,1,0,0|1,0,0]=3 4894 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,1,0,1,0,0|1,0,0]=3 4895 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,1,0,1,0,0|2,0,0]=4 4896 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,1,0,1,0,0|2,0,0]=4 4897 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,1,0,1,0,0|2,0,0]=4 4898 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,1,0,1,0,0|2,0,0]=4 4899 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,1,0,1,0,0|2,0,0]=4 4900 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,1,0,1,0,0|2,0,0]=4 4901 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,1,0,1,0,0|2,0,0]=4 4902 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,1,0,1,0,0|2,0,0]=4 4903 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [0,1,0,1,0,0|1,0,1]=4 4904 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [0,1,0,1,0,0|1,0,1]=4 4905 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,1,0,1,0,0|1,0,0]=3 4906 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,1,0,1,0,0|0,0,1]=3 4907 B8R1.34 O=[N+]([O-])CN1CCC1 269982a_100000754969_100000761209 [0,1,0,1,0,0|1,0,1]=4 4908 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,1,0,1,0,0|1,0,1]=4 4909 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,1,0,0|1,0,0]=3 4910 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,1,0,1,0,0|1,0,0]=3 4911 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,1,0,1,0,0|1,0,0]=3 4912 B8R1.40 C#CC(=O)CC1CO1 1458a_100000211873_100011216344 [0,1,0,1,0,0|2,0,0]=4 4913 B8R1.40 C#CC(=O)CC1CS1 1458a_100000211873_100000031435 [0,1,0,1,0,0|2,0,0]=4 4914 B8R1.40 C#CC(=O)C[C@@H]1CO1 1458a_100000211873_100000745022 [0,1,0,1,0,0|2,0,0]=4 4915 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,1,0,1,0,0|1,0,0]=3 4916 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,1,0,1,0,0|2,0,0]=4 4917 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,1,0,1,0,0|2,0,0]=4 4918 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,1,0,1,0,0|2,0,0]=4 4919 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,1,0,1,0,0|2,0,0]=4 4920 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,1,0,1,0,0|2,0,0]=4 4921 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,1,0,1,0,0|1,0,0]=3 4922 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,1,0,1,0,0|1,0,0]=3 4923 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,1,0,1,0,0|2,0,0]=4 4924 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,1,0,1,0,0|2,0,0]=4 4925 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,1,0,1,0,0|2,0,0]=4 4926 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,1,0,1,0,0|2,0,0]=4 4927 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,1,0,1,0,0|2,0,0]=4 4928 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,1,0,1,0,0|2,0,0]=4 4929 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,1,0,1,0,0|1,0,0]=3 4930 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,1,0,1,0,0|1,0,0]=3 4931 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,1,0,1,0,0|1,0,0]=3 4932 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,1,0,1,0,0|1,0,0]=3 4933 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,1,0,1,0,0|2,0,0]=4 4934 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,1,0,1,0,0|2,0,0]=4 4935 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,1,0,1,0,0|2,0,0]=4 4936 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,1,0,1,0,0|2,0,0]=4 4937 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,1,0,1,0,0|2,0,0]=4 4938 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,1,0,1,0,0|1,0,0]=3 4939 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,1,0,1,0,0|0,0,0]=2 4940 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,1,0,1,0,0|1,0,0]=3 4941 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,1,0,1,0,0|1,0,0]=3 4942 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,1,0,1,0,0|1,0,0]=3 4943 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,1,0,1,0,0|1,0,0]=3 4944 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,1,0,1,0,0|1,0,0]=3 4945 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,1,0,1,0,0|1,0,0]=3 4946 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,1,0,1,0,0|2,0,0]=4 4947 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 4948 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 4949 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 4950 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,1,0,1,0,0|2,0,0]=4 4951 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,1,0,1,0,0|1,0,0]=3 4952 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,1,0,1,0,0|1,0,1]=4 4953 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|1,0,0]=3 4954 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|1,0,0]=3 4955 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,1,0,1,0,0|1,0,1]=4 4956 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,1,0,1,0,0|1,0,0]=3 4957 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,1,0,1,0,0|1,0,0]=3 4958 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,1,0,1,0,0|2,0,0]=4 4959 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,1,0,1,0,0|1,0,0]=3 4960 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,1,0,1,0,0|1,0,0]=3 4961 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,1,0,1,0,0|1,0,0]=3 4962 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,1,0,1,0,0|2,0,0]=4 4963 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,1,0,1,0,0|2,0,0]=4 4964 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,1,0,1,0,0|2,0,0]=4 4965 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,1,0,1,0,0|1,0,0]=3 4966 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,1,0,1,0,0|1,0,0]=3 4967 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [0,1,0,1,0,0|2,0,0]=4 4968 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,1,0,1,0,0|1,0,1]=4 4969 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,1,0,1,0,0|1,0,1]=4 4970 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,1,0,1,0,0|1,0,1]=4 4971 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,1,0,1,0,0|0,0,2]=4 4972 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,1,0,1,0,0|1,0,1]=4 4973 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,1,0,1,0,0|1,0,1]=4 4974 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,1,0,1,0,0|0,0,2]=4 4975 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|2,0,0]=4 4976 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|2,0,0]=4 4977 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|2,0,0]=4 4978 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,1,0,0|1,0,0]=3 4979 B8R1.38 C#CC(=O)C1COC1 1458a_100000211873_100000687716 [0,1,0,1,0,0|2,0,0]=4 4980 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,1,0,0|1,0,0]=3 4981 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,1,0,1,0,0|2,0,0]=4 4982 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,1,0,1,0,0|2,0,0]=4 4983 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,1,0,1,0,0|1,0,1]=4 4984 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,1,0,1,0,0|1,0,1]=4 4985 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|1,0,0]=3 4986 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|1,0,0]=3 4987 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|2,0,0]=4 4988 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|2,0,0]=4 4989 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|2,0,0]=4 4990 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 4991 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 4992 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 4993 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,1,0,0|1,0,0]=3 4994 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 4995 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 4996 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 4997 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|2,0,0]=4 4998 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 4999 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 5000 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 5001 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,1,0,0|2,0,0]=4 5002 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 5003 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 5004 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 5005 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 5006 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 5007 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,1,0,1,0,0|1,0,1]=4 5008 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,1,0,1,0,0|1,0,1]=4 5009 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,1,0,0|1,0,0]=3 5010 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|2,0,0]=4 5011 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,1,0,1,0,0|2,0,0]=4 5012 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|0,0,0]=2 5013 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|1,0,0]=3 5014 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|1,0,0]=3 5015 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|1,0,0]=3 5016 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,1,0,1,0,0|1,0,1]=4 5017 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,1,0,1,0,0|1,0,1]=4 5018 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,1,0,1,0,0|1,0,1]=4 5019 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,1,0,1,0,0|1,0,1]=4 5020 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [0,1,0,1,0,0|2,0,0]=4 5021 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [0,1,0,1,0,0|2,0,0]=4 5022 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [0,1,0,1,0,0|2,0,0]=4 5023 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [0,1,0,1,0,0|2,0,0]=4 5024 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [0,1,0,1,0,0|2,0,0]=4 5025 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [0,1,0,1,0,0|2,0,0]=4 5026 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [0,1,0,1,0,0|2,0,0]=4 5027 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [0,1,0,1,0,0|1,0,1]=4 5028 B8R1.6 CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210202 [0,1,0,1,0,0|1,0,1]=4 5029 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,1,0,1,0,0|1,0,0]=3 5030 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,1,0,1,0,0|1,0,0]=3 5031 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,1,0,1,0,0|1,0,0]=3 5032 B8R1.6 CNCC1CC(C1)O 2230a_100016992100_200000210301 [0,1,0,1,0,0|1,0,1]=4 5033 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,1,0,1,0,0|1,0,0]=3 5034 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,1,0,1,0,0|1,0,0]=3 5035 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,1,0,1,0,0|1,0,0]=3 5036 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [0,1,0,1,0,0|2,0,0]=4 5037 B8R1.6 [13CH3]NCC1CC(C1)O 2230a_100016992100_200025704644 [0,1,0,1,0,0|1,0,1]=4 5038 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,1,0,1,0,0|1,0,0]=3 5039 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,1,0,1,0,0|1,0,0]=3 5040 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,1,0,1,0,0|1,0,0]=3 5041 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|1,0,1]=4 5042 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|1,0,1]=4 5043 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|1,0,0]=3 5044 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|1,0,0]=3 5045 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|1,0,0]=3 5046 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,1,0,1,0,0|1,0,0]=3 5047 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,1,0,1,0,0|1,0,0]=3 5048 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,1,0,1,0,0|1,0,0]=3 5049 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,1,0,1,0,0|1,0,0]=3 5050 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,1,0,1,0,0|2,0,0]=4 5051 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,1,0,1,0,0|2,0,0]=4 5052 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,1,0,1,0,0|2,0,0]=4 5053 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|1,0,0]=3 5054 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|1,0,1]=4 5055 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|1,0,1]=4 5056 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|1,0,0]=3 5057 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|1,0,0]=3 5058 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,1,0,1,0,0|1,0,0]=3 5059 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|1,0,0]=3 5060 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [0,1,0,1,0,0|2,0,0]=4 5061 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [0,1,0,1,0,0|2,0,0]=4 5062 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [0,1,0,1,0,0|2,0,0]=4 5063 B8R1.35 C=C(F)CNC1CC1 34a_100000212008_100009893438 [0,1,0,1,0,0|2,0,0]=4 5064 B8R1.35 C=C(F)COC1CC1 34a_200010262243_100000211595 [0,1,0,1,0,0|2,0,0]=4 5065 B8R1.35 C=C(F)CSC1CC1 62a_100000042424_100000211595 [0,1,0,1,0,0|2,0,0]=4 5066 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,1,0,1,0,0|1,0,1]=4 5067 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,1,0,1,0,0|1,0,0]=3 5068 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,1,0,1,0,0|1,0,0]=3 5069 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,1,0,1,0,0|1,0,0]=3 5070 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,1,0,1,0,0|1,0,0]=3 5071 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,1,0,1,0,0|1,0,0]=3 5072 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,1,0,1,0,0|1,0,0]=3 5073 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,1,0,1,0,0|1,0,0]=3 5074 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,1,0,1,0,0|1,0,0]=3 5075 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,1,0,1,0,0|2,0,0]=4 5076 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [0,1,0,1,0,0|1,0,1]=4 5077 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [0,1,0,1,0,0|1,0,1]=4 5078 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [0,1,0,1,0,0|1,0,1]=4 5079 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [0,1,0,1,0,0|1,0,1]=4 5080 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [0,1,0,1,0,0|1,0,1]=4 5081 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,1,0,1,0,0|1,0,0]=3 5082 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,1,0,1,0,0|1,0,0]=3 5083 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,1,0,1,0,0|0,0,0]=2 5084 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,1,0,1,0,0|0,0,1]=3 5085 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,1,0,1,0,0|0,0,1]=3 5086 B8R1.35 O=[N+]([O-])CNC1CC1 34a_100000212008_100000761209 [0,1,0,1,0,0|1,0,1]=4 5087 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,1,0,1,0,0|1,0,1]=4 5088 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,1,0,1,0,0|1,0,0]=3 5089 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [0,1,0,1,0,0|1,0,1]=4 5090 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [0,1,0,1,0,0|1,0,1]=4 5091 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [0,1,0,1,0,0|1,0,1]=4 5092 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [0,1,0,1,0,0|1,0,1]=4 5093 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [0,1,0,1,0,0|1,0,1]=4 5094 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [0,1,0,1,0,0|1,0,1]=4 5095 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [0,1,0,1,0,0|1,0,1]=4 5096 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [0,1,0,1,0,0|1,0,1]=4 5097 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [0,1,0,1,0,0|1,0,1]=4 5098 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [0,1,0,1,0,0|1,0,1]=4 5099 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [0,1,0,1,0,0|1,0,1]=4 5100 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [0,1,0,1,0,0|1,0,1]=4 5101 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [0,1,0,1,0,0|1,0,1]=4 5102 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [0,1,0,1,0,0|1,0,1]=4 5103 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [0,1,0,1,0,0|1,0,1]=4 5104 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [0,1,0,1,0,0|1,0,1]=4 5105 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [0,1,0,1,0,0|1,0,1]=4 5106 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [0,1,0,1,0,0|1,0,1]=4 5107 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [0,1,0,1,0,0|1,0,1]=4 5108 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,1,0,1,0,0|1,0,1]=4 5109 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,1,0,1,0,0|1,0,1]=4 5110 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,1,0,0|1,0,0]=3 5111 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,1,0,0|1,0,0]=3 5112 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,1,0,1,0,0|2,0,0]=4 5113 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,1,0,0|2,0,0]=4 5114 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,1,0,0|2,0,0]=4 5115 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,1,0,0|2,0,0]=4 5116 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,1,0,1,0,0|2,0,0]=4 5117 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,1,0,1,0,0|2,0,0]=4 5118 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,1,0,1,0,0|2,0,0]=4 5119 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,1,0,1,0,0|2,0,0]=4 5120 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,1,0,1,0,0|2,0,0]=4 5121 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,1,0,1,0,0|2,0,0]=4 5122 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,1,0,1,0,0|1,0,1]=4 5123 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,1,0,0|1,0,0]=3 5124 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,1,0,0|1,0,0]=3 5125 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,1,0,1,0,0|2,0,0]=4 5126 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,1,0,1,0,0|2,0,0]=4 5127 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,1,0,1,0,0|2,0,0]=4 5128 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,1,0,0|1,0,0]=3 5129 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,1,0,1,0,0|1,0,1]=4 5130 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,1,0,1,0,0|1,0,0]=3 5131 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,1,0,1,0,0|2,0,0]=4 5132 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 5133 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 5134 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 5135 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,1,0,1,0,0|2,0,0]=4 5136 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,1,0,0|1,0,0]=3 5137 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,1,0,0|1,0,0]=3 5138 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,1,0,1,0,0|2,0,0]=4 5139 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,1,0,1,0,0|2,0,0]=4 5140 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,1,0,0|1,0,0]=3 5141 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,1,0,1,0,0|2,0,0]=4 5142 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,1,0,0|1,0,0]=3 5143 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,1,0,1,0,0|2,0,0]=4 5144 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,1,0,1,0,0|2,0,0]=4 5145 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,1,0,1,0,0|1,0,0]=3 5146 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,1,0,1,0,0|1,0,0]=3 5147 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,1,0,1,0,0|2,0,0]=4