0 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 C#CC(C)NCCCC 2230a_100000707721_100000210211 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 C#CC(C)NCCCC 34a_100000707721_100000210210 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.6 C#CC(C)OCCCC 34a_100000210227_200000035995 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.6 C#CC(C)SCCCC 62a_200000035995_100000210210 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,0,0,0,0,0|0,0,4]=4 6 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,0,0,0,0,0|0,0,4]=4 7 B8R0.6 C#CCCCN(C)CC 2230a_100000225621_100000731252 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.6 C#CCCCN(C)CC 269982a_100000225621_100011215417 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.6 C#CCCNC(C)CC 2230a_100000209981_100000688953 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.6 C#CCCNC(C)CC 34a_100000755551_100011215416 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.6 C#CCCOC(C)CC 34a_100011215631_100011215416 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.6 C#CCCOC(C)CC 7a_100000210228_100000688953 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.6 C#CCCSC(C)CC 62a_100000688953_100000758301 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.6 C#CCCSC(C)CC 62a_100000758301_100000688953 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.6 C#CCNCC(C)CC 2230a_100020588543_100000038162 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.6 C#CCNCC(C)CC 34a_100000212058_100000748023 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.6 C#CCNCC(O)CC 2230a_100011218483_100000038162 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.6 C#CCNCC(O)CC 34a_100000212058_100011218378 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.6 C#CCNCC(O)CO 34a_100000212058_100011219619 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.6 C#CCNC[C@@H](C)CC 34a_100000212058_100009816398 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.6 C#CCNC[C@@H](O)CF 34a_100000212058_100015614560 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.6 C#CCNC[C@@H](O)CO 34a_100000212058_100009815848 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.6 C#CCNC[C@H](O)CO 2230a_100020644852_100000038162 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.6 C#CCOCC(C)CC 34a_100000210247_100000748023 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.6 C#CCOCC(O)CC 34a_100000210247_100011218378 [0,0,0,0,0,0|1,0,2]=3 26 B8R0.6 C#CCOCC(O)CO 34a_100000210247_100011219619 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.6 C#CCOC[C@@H](C)CC 34a_100000210247_100009816398 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.6 C#CCOC[C@@H](C)CC 7a_100009816381_100000038162 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.6 C#CCOC[C@@H](O)CF 34a_100000210247_100015614560 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.6 C#CCOC[C@@H](O)CO 34a_100000210247_100009815848 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.6 C#CCSCC(C)CC 62a_100000038162_100000748023 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.6 C#CCSCC(O)CC 62a_100000038162_100011218378 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.6 C#CCSCC(O)CO 62a_100000038162_100011219619 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.6 C#CCSC[C@@H](C)CC 62a_100000038162_100009816398 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.6 C#CCSC[C@@H](O)CF 62a_100000038162_100015614560 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.6 C#CCSC[C@@H](O)CO 62a_100000038162_100009815848 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.6 C#C[C@@H](C)OCCCC 34a_100009815206_100000210210 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.6 C#C[C@@H](C)OCCCC 7a_100009815206_100000210211 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,0,0,0,0,0|0,0,4]=4 44 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,0,0,0,0,0|2,0,2]=4 52 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,0,0,0,0,0|1,0,2]=3 53 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,0,0,0,0,0|2,0,2]=4 54 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,0,0,0,0,0|1,0,2]=3 55 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,0,0,0,0,0|1,0,2]=3 56 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,0,0,0,0,0|2,0,2]=4 60 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,0,0,0,0,0|2,0,2]=4 61 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,0,0,0,0,0|2,0,2]=4 62 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,0,0,0,0,0|2,0,2]=4 63 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,0,0,0,0,0|0,0,4]=4 65 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,0,0,0,0,0|0,0,4]=4 66 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,0,0,0,0,0|2,0,2]=4 67 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,0,0,0,0,0|2,0,2]=4 68 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,0,0,0,0,0|2,0,2]=4 69 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,0,0,0,0,0|2,0,2]=4 70 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,0,0,0,0,0|2,0,2]=4 71 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,0,0,0,0,0|2,0,2]=4 72 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,0,0,0,0,0|2,0,2]=4 73 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,0,0,0,0,0|2,0,2]=4 74 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,0,0,0,0,0|2,0,2]=4 76 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,0,0,0,0,0|2,0,2]=4 77 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,0,0,0,0,0|1,0,2]=3 78 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,0,0,0,0,0|1,0,2]=3 79 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [0,0,0,0,0,0|2,0,2]=4 80 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,0,0,0,0,0|2,0,2]=4 81 B8R0.6 C=CCNC[C@@H](O)CF 2230a_100020586998_100015614560 [0,0,0,0,0,0|2,0,2]=4 82 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [0,0,0,0,0,0|2,0,2]=4 83 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [0,0,0,0,0,0|2,0,2]=4 84 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,0,0,0,0,0|2,0,2]=4 85 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,0,0,0,0,0|1,0,2]=3 86 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,0,0,0,0,0|2,0,2]=4 88 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,0,0,0,0,0|2,0,2]=4 89 B8R0.6 C=CCOC[C@@H](O)CF 34a_200000210373_100015614560 [0,0,0,0,0,0|2,0,2]=4 90 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [0,0,0,0,0,0|2,0,2]=4 91 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,0,0,0,0,0|2,0,2]=4 92 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,0,0,0,0,0|2,0,2]=4 93 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,0,0,0,0,0|1,0,2]=3 94 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,0,0,0,0,0|1,0,2]=3 95 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,0,0,0,0,0|2,0,2]=4 96 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,0,0,0,0,0|2,0,2]=4 97 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,0,0,0,0,0|2,0,2]=4 98 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,0,0,0,0,0|2,0,2]=4 99 B8R0.6 C=CCSC[C@@H](O)CF 62a_100000210623_100015614560 [0,0,0,0,0,0|2,0,2]=4 100 B8R0.6 C=CCSC[C@@H](O)CF 62a_100015614560_100000210623 [0,0,0,0,0,0|2,0,2]=4 101 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,0,0,0,0,0|2,0,2]=4 102 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,0,0,0,0,0|2,0,2]=4 103 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.6 CC#CCNC(C)CC 2230a_100000209981_100000748600 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.6 CC#CCNC(C)CC 2230a_100000685387_100000758301 [0,0,0,0,0,0|2,0,2]=4 106 B8R0.6 CC#CCNC(C)CC 34a_100000685387_100011215416 [0,0,0,0,0,0|2,0,2]=4 107 B8R0.6 CC#CCOC(C)CC 34a_100000761923_100011215416 [0,0,0,0,0,0|2,0,2]=4 108 B8R0.6 CC#CCOC(C)CC 7a_100000210228_100000748600 [0,0,0,0,0,0|2,0,2]=4 109 B8R0.6 CC#CCSC(C)CC 62a_100000748600_100000758301 [0,0,0,0,0,0|2,0,2]=4 110 B8R0.6 CC#CCSC(C)CC 62a_100000758301_100000748600 [0,0,0,0,0,0|2,0,2]=4 111 B8R0.6 CC(CF)OCCCF 34a_100016041109_100011934791 [0,0,0,0,0,0|4,0,0]=4 112 B8R0.6 CC(CF)OCCCF 7a_100016041109_100011934791 [0,0,0,0,0,0|4,0,0]=4 113 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,0,0,0,0,0|4,0,0]=4 114 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,0,0,0,0,0|4,0,0]=4 115 B8R0.6 CC(CN)COCCF 34a_100000744482_100011217306 [0,0,0,0,0,0|4,0,0]=4 116 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,0,0,0,0,0|4,0,0]=4 117 B8R0.6 CC(CN)OCCCF 34a_100000210904_100011934791 [0,0,0,0,0,0|4,0,0]=4 118 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,0,0,0,0,0|4,0,0]=4 119 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [0,0,0,0,0,0|4,0,0]=4 120 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,0,0,0,0,0|4,0,0]=4 121 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,0,0,0,0,0|4,0,0]=4 122 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [0,0,0,0,0,0|4,0,0]=4 123 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [0,0,0,0,0,0|4,0,0]=4 124 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [0,0,0,0,0,0|4,0,0]=4 125 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [0,0,0,0,0,0|4,0,0]=4 126 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [0,0,0,0,0,0|4,0,0]=4 127 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [0,0,0,0,0,0|4,0,0]=4 128 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [0,0,0,0,0,0|4,0,0]=4 129 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,0,0,0,0,0|4,0,0]=4 130 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,0,0,0,0,0|0,0,4]=4 131 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,0,0,0,0,0|0,0,4]=4 132 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [0,0,0,0,0,0|2,0,2]=4 133 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [0,0,0,0,0,0|2,0,2]=4 134 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [0,0,0,0,0,0|2,0,2]=4 135 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [0,0,0,0,0,0|2,0,2]=4 136 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,0,0,0,0,0|2,0,2]=4 137 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [0,0,0,0,0,0|2,0,1]=3 139 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,0,0,0,0,0|0,0,4]=4 140 B8R0.6 CCC#CCC(C)OC 34a_200000035118_200000210301 [0,0,0,0,0,0|2,0,2]=4 141 B8R0.6 CCC#CCC(C)OC 7a_200000035118_200000210301 [0,0,0,0,0,0|2,0,2]=4 142 B8R0.6 CCC#CCC(C)O[13CH3] 34a_200000035118_200025704644 [0,0,0,0,0,0|2,0,2]=4 143 B8R0.6 CCC#CCC(C)O[13CH3] 7a_200000035118_200025704644 [0,0,0,0,0,0|2,0,2]=4 144 B8R0.6 CCC#CCN(C)CC 2230a_100000225621_100009813939 [0,0,0,0,0,0|2,0,2]=4 145 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,0,0,0,0,0|1,0,3]=4 146 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,0,0,0,0,0|1,0,3]=4 147 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,0,0,0,0,0|1,0,2]=3 148 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,0,0,0,0,0|1,0,2]=3 149 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,0,0,0,0,0|1,0,2]=3 150 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,0,0,0,0,0|1,0,2]=3 151 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,0,0,0,0,0|1,0,2]=3 152 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,0,0,0,0,0|1,0,2]=3 153 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,0,0,0,0,0|2,0,2]=4 154 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,0,0,0,0,0|2,0,2]=4 155 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,0,0,0,0,0|2,0,2]=4 156 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,0,0,0,0,0|2,0,2]=4 158 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,0,0,0,0,0|2,0,2]=4 159 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,0,0,0,0,0|2,0,2]=4 160 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,0,0,0,0,0|2,0,2]=4 161 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,0,0,0,0,0|2,0,2]=4 162 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,0,0,0,0,0|2,0,2]=4 163 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,0,0,0,0,0|2,0,2]=4 164 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,0,0,0,0,0|2,0,2]=4 165 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,0,0,0,0,0|2,0,2]=4 166 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,0,0,0,0,0|2,0,2]=4 167 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,0,0,0,0,0|2,0,2]=4 168 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,0,0,0,0,0|2,0,2]=4 169 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,0,0,0,0,0|2,0,2]=4 170 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,0,0,0,0,0|2,0,2]=4 171 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,0,0,0,0,0|2,0,2]=4 172 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,0,0,0,0,0|2,0,2]=4 173 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,0,0,0,0,0|2,0,2]=4 174 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,0,0,0,0,0|2,0,2]=4 175 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,0,0,0,0,0|2,0,2]=4 176 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,0,0,0,0,0|2,0,2]=4 177 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,0,0,0,0,0|2,0,2]=4 178 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,0,0,0,0,0|2,0,2]=4 179 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,0,0,0,0,0|2,0,2]=4 181 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,0,0,0,0,0|2,0,2]=4 182 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,0,0,0,0,0|2,0,2]=4 183 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,0,0,0,0,0|2,0,2]=4 184 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,0,0,0,0,0|2,0,2]=4 185 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,0,0,0,0,0|2,0,2]=4 186 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,0,0,0,0,0|2,0,0]=2 187 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,0,0,0,0,0|2,0,0]=2 188 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,0,0,0,0,0|3,0,0]=3 189 B8R0.6 CCC(C)CNCC#N 2230a_100020588543_100011215382 [0,0,0,0,0,0|3,0,1]=4 190 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,0,0,0,0,0|3,0,1]=4 191 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,0,0,0,0,0|3,0,0]=3 192 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,0,0,0,0,0|3,0,0]=3 193 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,0,0,0,0,0|3,0,0]=3 194 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,0,0,0,0,0|3,0,0]=3 195 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,0,0,0,0,0|3,0,0]=3 196 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,0,0,0,0,0|3,0,0]=3 197 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [0,0,0,0,0,0|3,0,0]=3 198 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,0,0,0,0,0|3,0,0]=3 199 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,0,0,0,0,0|3,0,0]=3 200 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,0,0,0,0,0|3,0,0]=3 201 B8R0.6 CCC(C)CSCC#N 62a_100000748023_100011215382 [0,0,0,0,0,0|3,0,1]=4 202 B8R0.6 CCC(C)CSCC#N 62a_100011215382_100000748023 [0,0,0,0,0,0|3,0,1]=4 203 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,0,0,0,0,0|3,0,1]=4 205 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,0,0,0,0,0|3,0,0]=3 206 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,0,0,0,0,0|3,0,0]=3 207 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,0,0,0,0,0|3,0,0]=3 208 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,0,0,0,0,0|3,0,0]=3 209 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,0,0,0,0,0|3,0,0]=3 210 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,0,0,0,0,0|3,0,0]=3 211 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,0,0,0,0,0|3,0,0]=3 212 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,0,0,0,0,0|3,0,0]=3 213 B8R0.6 CCC(C)NCCC#N 2230a_100000209981_100011215226 [0,0,0,0,0,0|3,0,1]=4 214 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,0,0,0,0,0|3,0,0]=3 215 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,0,0,0,0,0|3,0,0]=3 216 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,0,0,0,0,0|3,0,0]=3 217 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,0,0,0,0,0|3,0,0]=3 218 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,0,0,0,0,0|3,0,0]=3 219 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,0,0,0,0,0|3,0,0]=3 220 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,0,0,0,0,0|3,0,0]=3 221 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,0,0,0,0,0|3,0,0]=3 222 B8R0.6 CCC(C)OCCC#N 7a_100000210228_100000184422 [0,0,0,0,0,0|3,0,1]=4 223 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,0,0,0,0,0|3,0,0]=3 224 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,0,0,0,0,0|3,0,0]=3 225 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,0,0,0,0,0|3,0,0]=3 226 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,0,0,0,0,0|3,0,0]=3 227 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,0,0,0,0,0|3,0,0]=3 228 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,0,0,0,0,0|3,0,0]=3 229 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,0,0,0,0,0|3,0,0]=3 230 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,0,0,0,0,0|3,0,0]=3 231 B8R0.6 CCC(C)OCCON 34a_100000700252_100011215416 [0,0,0,0,0,0|4,0,0]=4 232 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,0,0,0,0,0|3,0,0]=3 233 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,0,0,0,0,0|3,0,0]=3 234 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,0,0,0,0,0|3,0,0]=3 235 B8R0.6 CCC(C)SCCC#N 62a_100000758301_100011215226 [0,0,0,0,0,0|3,0,1]=4 236 B8R0.6 CCC(C)SCCC#N 62a_100011215226_100000758301 [0,0,0,0,0,0|3,0,1]=4 237 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,0,0,0,0,0|3,0,0]=3 238 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,0,0,0,0,0|3,0,0]=3 239 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,0,0,0,0,0|3,0,0]=3 240 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,0,0,0,0,0|3,0,0]=3 241 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,0,0,0,0,0|3,0,0]=3 242 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,0,0,0,0,0|3,0,0]=3 243 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,0,0,0,0,0|3,0,0]=3 244 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,0,0,0,0,0|3,0,0]=3 245 B8R0.6 CCC(O)CNCC#N 2230a_100011218483_100011215382 [0,0,0,0,0,0|2,0,1]=3 246 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,0,0,0,0,0|2,0,1]=3 247 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,0,0,0,0,0|2,0,0]=2 248 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,0,0,0,0,0|2,0,0]=2 249 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,0,0,0,0,0|2,0,0]=2 250 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,0,0,0,0,0|2,0,0]=2 251 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,0,0,0,0,0|2,0,0]=2 252 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,0,0,0,0,0|2,0,0]=2 253 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,0,0,0,0,0|2,0,0]=2 254 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,0,0,0,0,0|2,0,0]=2 255 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,0,0,0,0,0|2,0,0]=2 256 B8R0.6 CCC(O)CSCC#N 62a_100011215382_100011218378 [0,0,0,0,0,0|2,0,1]=3 257 B8R0.6 CCC(O)CSCC#N 62a_100011218378_100011215382 [0,0,0,0,0,0|2,0,1]=3 258 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,0,0,0,0,0|2,0,1]=3 259 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,0,0,0,0,0|2,0,1]=3 260 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,0,0,0,0,0|2,0,0]=2 261 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,0,0,0,0,0|2,0,0]=2 262 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,0,0,0,0,0|2,0,0]=2 263 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,0,0,0,0,0|2,0,0]=2 264 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,0,0,0,0,0|2,0,0]=2 265 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,0,0,0,0,0|2,0,0]=2 266 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,0,0,0,0,0|2,0,0]=2 267 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,0,0,0,0,0|2,0,0]=2 268 B8R0.6 CCC=NNC(C)CC 4a_100000718999_100000210100 [0,0,0,0,0,0|3,0,1]=4 269 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,0,0,0,0,0|0,0,4]=4 270 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,0,0,0,0,0|0,0,4]=4 271 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,0,0,0,0|0,0,2]=2 272 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,0,0,0,0|0,0,2]=2 273 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,0,0,0,0,0|1,0,2]=3 274 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,0,0,0,0,0|1,0,2]=3 275 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,0,0,0,0,0|1,0,2]=3 276 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,0,0,0,0,0|1,0,2]=3 277 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,0,0,0,0,0|1,0,2]=3 278 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,0,0,0,0,0|1,0,2]=3 279 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,0,0,0,0,0|2,0,0]=2 280 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,0,0,0,0,0|2,0,0]=2 281 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,0,0,0,0,0|2,0,0]=2 282 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,0,0,0,0,0|2,0,0]=2 283 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,0,0,0,0,0|2,0,0]=2 284 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,0,0,0,0,0|2,0,0]=2 285 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,0,0,0,0,0|2,0,0]=2 286 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,0,0,0,0,0|2,0,0]=2 287 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,0,0,0,0,0|2,0,0]=2 288 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,0,0,0,0,0|2,0,0]=2 289 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,0,0,0,0,0|2,0,0]=2 290 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,0,0,0,0,0|2,0,0]=2 291 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,0,0,0,0,0|2,0,0]=2 292 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,0,0,0,0,0|2,0,0]=2 293 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,0,0,0,0,0|2,0,0]=2 294 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,0,0,0,0,0|2,0,0]=2 295 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,0,0,0,0,0|2,0,0]=2 296 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,0,0,0,0,0|2,0,0]=2 297 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,0,0,0,0,0|2,0,0]=2 298 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,0,0,0,0,0|3,0,0]=3 299 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,0,0,0,0,0|1,0,2]=3 300 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,0,0,0,0,0|1,0,2]=3 301 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,0,0,0,0,0|1,0,2]=3 302 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,0,0,0,0,0|1,0,2]=3 303 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,0,0,0,0,0|2,0,2]=4 304 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,0,0,0,0,0|2,0,2]=4 305 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,0,0,0,0,0|2,0,2]=4 306 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,0,0,0,0,0|2,0,2]=4 307 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,0,0,0,0,0|2,0,2]=4 308 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,0,0,0,0,0|2,0,2]=4 309 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,0,0,0,0,0|2,0,2]=4 310 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,0,0,0,0,0|2,0,2]=4 311 B8R0.6 CCCCNC(C)C#N 2230a_100000102301_100000184139 [0,0,0,0,0,0|3,0,1]=4 312 B8R0.6 CCCCNC(C)C#N 2230a_100000737613_100000210211 [0,0,0,0,0,0|3,0,1]=4 313 B8R0.6 CCCCNC(C)C#N 7a_106832991798_100000703298 [0,0,0,0,0,0|3,0,1]=4 314 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,0,0,0,0,0|2,0,0]=2 315 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,0,0,0,0,0|2,0,0]=2 316 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,0,0,0,0,0|2,0,0]=2 317 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,0,0,0,0,0|3,0,0]=3 318 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,0,0,0,0,0|3,0,0]=3 319 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,0,0,0,0,0|3,0,0]=3 320 B8R0.6 CCCCOC(C)C#N 34a_100011218135_100000210210 [0,0,0,0,0,0|3,0,1]=4 321 B8R0.6 CCCCOC(C)C#N 7a_100000210227_100000703298 [0,0,0,0,0,0|3,0,1]=4 322 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,0,0,0,0,0|2,0,0]=2 323 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,0,0,0,0,0|2,0,0]=2 324 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,0,0,0,0,0|2,0,0]=2 325 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,0,0,0,0,0|3,0,0]=3 326 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,0,0,0,0,0|3,0,0]=3 327 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,0,0,0,0,0|3,0,0]=3 328 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,0,0,0,0,0|3,0,0]=3 329 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,0,0,0,0,0|3,0,0]=3 330 B8R0.6 CCCCSC(C)C#N 62a_100000210211_100000703298 [0,0,0,0,0,0|3,0,1]=4 331 B8R0.6 CCCCSC(C)C#N 62a_100000703298_100000210210 [0,0,0,0,0,0|3,0,1]=4 332 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,0,0,0,0,0|2,0,0]=2 333 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,0,0,0,0,0|2,0,0]=2 334 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,0,0,0,0,0|3,0,0]=3 335 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,0,0,0,0,0|3,0,0]=3 336 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,0,0,0,0,0|3,0,0]=3 337 B8R0.6 CCCCSC(F)C#N 62a_100000210211_200000117898 [0,0,0,0,0,0|3,0,1]=4 338 B8R0.6 CCCCSC(F)C#N 62a_200000117898_100000210210 [0,0,0,0,0,0|3,0,1]=4 339 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,0,0,0,0,0|3,0,0]=3 340 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,0,0,0,0,0|3,0,0]=3 341 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,0,0,0,0,0|2,0,2]=4 342 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,0,0,0,0,0|2,0,0]=2 343 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,0,0,0,0,0|2,0,0]=2 344 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,0,0,0,0,0|3,0,0]=3 345 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,0,0,0,0,0|1,0,0]=1 346 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,0,0,0,0,0|3,0,0]=3 347 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,0,0,0,0,0|3,0,0]=3 348 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,0,0,0,0,0|2,0,0]=2 349 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,0,0,0,0,0|2,0,2]=4 350 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,0,0,0,0,0|1,0,2]=3 351 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,0,0,0,0,0|1,0,2]=3 352 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,0,0,0,0,0|2,0,2]=4 353 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,0,0,0,0,0|2,0,2]=4 354 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,0,0,0,0,0|2,0,2]=4 355 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,0,0,0,0,0|2,0,2]=4 356 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,0,0,0,0,0|2,0,2]=4 357 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,0,0,0,0,0|2,0,2]=4 358 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,0,0,0,0,0|2,0,2]=4 359 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,0,0,0,0,0|2,0,2]=4 360 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,0,0,0,0,0|2,0,0]=2 361 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,0,0,0,0,0|3,0,0]=3 362 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,0,0,0,0,0|3,0,0]=3 363 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,0,0,0,0,0|3,0,0]=3 364 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,0,0,0,0,0|1,0,0]=1 365 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,0,0,0,0,0|2,0,0]=2 366 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,0,0,0,0,0|2,0,0]=2 367 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,0,0,0,0,0|2,0,0]=2 368 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,0,0,0,0,0|3,0,0]=3 369 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,0,0,0,0,0|2,0,0]=2 370 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,0,0,0,0,0|2,0,0]=2 371 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,0,0,0,0,0|3,0,0]=3 372 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,0,0,0,0,0|1,0,2]=3 373 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,0,0,0,0,0|1,0,2]=3 374 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,0,0,0,0,0|1,0,2]=3 375 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,0,0,0,0,0|2,0,2]=4 376 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,0,0,0,0,0|2,0,2]=4 377 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,0,0,0,0,0|2,0,2]=4 378 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,0,0,0,0,0|2,0,2]=4 379 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,0,0,0,0,0|2,0,2]=4 380 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,0,0,0,0,0|2,0,2]=4 381 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,0,0,0,0,0|2,0,2]=4 382 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,0,0,0,0,0|2,0,2]=4 383 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,0,0,0,0,0|2,0,2]=4 384 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,0,0,0,0,0|2,0,0]=2 385 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,0,0,0,0,0|2,0,0]=2 386 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,0,0,0,0,0|3,0,0]=3 387 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,0,0,0,0,0|1,0,0]=1 388 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,0,0,0,0,0|1,0,0]=1 389 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,0,0,0,0,0|2,0,0]=2 390 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,0,0,0,0,0|2,0,0]=2 391 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,0,0,0,0,0|2,0,0]=2 392 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,0,0,0,0,0|2,0,0]=2 393 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,0,0,0,0,0|3,0,0]=3 394 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,0,0,0,0,0|3,0,0]=3 395 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,0,0,0,0,0|2,0,0]=2 396 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,0,0,0,0,0|2,0,0]=2 397 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,0,0,0,0,0|2,0,0]=2 398 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,0,0,0,0,0|2,0,0]=2 399 B8R0.6 CCN(C)CCCC#N 2230a_100000225621_100000687738 [0,0,0,0,0,0|3,0,1]=4 400 B8R0.6 CCN(C)CCCC#N 269982a_100000225621_100000687738 [0,0,0,0,0,0|3,0,1]=4 401 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,0,0,0,0,0|3,0,1]=4 402 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,0,0,0,0,0|3,0,1]=4 403 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,0,0,0,0,0|3,0,0]=3 404 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,0,0,0,0,0|3,0,0]=3 405 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,0,0,0,0,0|3,0,0]=3 406 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,0,0,0,0,0|3,0,0]=3 407 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,0,0,0,0,0|3,0,0]=3 408 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,0,0,0,0,0|3,0,0]=3 409 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,0,0,0,0,0|3,0,0]=3 410 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,0,0,0,0,0|3,0,0]=3 411 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,0,0,0,0,0|3,0,0]=3 412 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,0,0,0,0,0|3,0,0]=3 413 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,0,0,0,0,0|3,0,0]=3 414 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,0,0,0,0,0|3,0,0]=3 415 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,0,0,0,0,0|3,0,0]=3 416 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,0,0,0,0,0|3,0,0]=3 417 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,0,0,0,0,0|3,0,0]=3 418 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,0,0,0,0,0|3,0,0]=3 419 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,0,0,0,0,0|3,0,0]=3 420 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,0,0,0,0,0|3,0,0]=3 421 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,0,0,0,0,0|2,0,2]=4 422 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,0,0,0,0,0|2,0,2]=4 423 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,0,0,0,0,0|2,0,2]=4 424 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,0,0,0,0,0|2,0,2]=4 425 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,0,0,0,0,0|2,0,0]=2 426 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,0,0,0,0,0|3,0,0]=3 427 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,0,0,0,0,0|3,0,0]=3 428 B8R0.6 CCNN=CC(C)CC 4a_100000756455_100000243153 [0,0,0,0,0,0|3,0,1]=4 429 B8R0.6 CCNN=CC(O)CO 4a_100000756455_100000033539 [0,0,0,0,0,0|3,0,1]=4 430 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,0,0,0,0,0|1,0,2]=3 431 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,0,0,0,0,0|1,0,2]=3 432 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,0,0,0,0,0|2,0,2]=4 433 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,0,0,0,0,0|2,0,2]=4 434 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,0,0,0,0,0|2,0,2]=4 435 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,0,0,0,0,0|2,0,2]=4 436 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,0,0,0,0,0|2,0,2]=4 437 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,0,0,0,0,0|2,0,2]=4 438 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,0,0,0,0,0|2,0,2]=4 439 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,0,0,0,0,0|2,0,2]=4 440 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,0,0,0,0,0|2,0,2]=4 441 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,0,0,0,0,0|2,0,0]=2 442 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,0,0,0,0,0|3,0,0]=3 443 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,0,0,0,0,0|3,0,0]=3 444 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,0,0,0,0,0|3,0,0]=3 445 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,0,0,0,0,0|3,0,0]=3 446 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,0,0,0,0,0|3,0,0]=3 447 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,0,0,0,0,0|3,0,0]=3 448 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,0,0,0,0,0|4,0,0]=4 449 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [0,0,0,0,0,0|4,0,0]=4 450 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [0,0,0,0,0,0|4,0,0]=4 451 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,0,0,0,0,0|4,0,0]=4 452 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,0,0,0,0,0|4,0,0]=4 453 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,0,0,0,0,0|1,0,2]=3 454 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,0,0,0,0,0|1,0,2]=3 455 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,0,0,0,0,0|2,0,2]=4 456 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,0,0,0,0,0|2,0,2]=4 457 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,0,0,0,0,0|2,0,2]=4 458 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,0,0,0,0,0|2,0,2]=4 459 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,0,0,0,0,0|2,0,2]=4 460 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,0,0,0,0,0|2,0,2]=4 461 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,0,0,0,0,0|2,0,2]=4 462 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,0,0,0,0,0|2,0,2]=4 463 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,0,0,0,0,0|2,0,2]=4 464 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,0,0,0,0,0|2,0,2]=4 465 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,0,0,0,0,0|3,0,0]=3 466 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,0,0,0,0,0|3,0,0]=3 467 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,0,0,0,0,0|3,0,0]=3 468 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,0,0,0,0,0|3,0,0]=3 469 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,0,0,0,0,0|3,0,0]=3 470 B8R0.6 CC[C@H](C)COCC#N 7a_100009816381_100011215382 [0,0,0,0,0,0|3,0,1]=4 471 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,0,0,0,0,0|3,0,1]=4 472 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,0,0,0,0,0|3,0,0]=3 473 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,0,0,0,0,0|3,0,0]=3 474 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,0,0,0,0,0|3,0,0]=3 475 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,0,0,0,0,0|3,0,0]=3 476 B8R0.6 CC[C@H](C)CSCC#N 62a_100009816398_100011215382 [0,0,0,0,0,0|3,0,1]=4 477 B8R0.6 CC[C@H](C)CSCC#N 62a_100011215382_100009816398 [0,0,0,0,0,0|3,0,1]=4 478 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,0,0,0,0,0|3,0,1]=4 479 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,0,0,0,0,0|3,0,1]=4 480 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,0,0,0,0,0|3,0,0]=3 481 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,0,0,0,0,0|3,0,0]=3 482 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,0,0,0,0,0|3,0,0]=3 483 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,0,0,0,0,0|3,0,0]=3 484 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,0,0,0,0,0|3,0,0]=3 485 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,0,0,0,0,0|3,0,0]=3 486 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,0,0,0,0,0|3,0,0]=3 487 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,0,0,0,0,0|3,0,0]=3 488 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [0,0,0,0,0,0|4,0,0]=4 489 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,0,0,0,0,0|2,0,2]=4 490 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,0,0,0,0,0|2,0,2]=4 491 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,0,0,0,0,0|2,0,2]=4 492 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,0,0,0,0,0|2,0,2]=4 493 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,0,0,0,0,0|2,0,2]=4 494 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,0,0,0,0,0|2,0,2]=4 495 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,0,0,0,0,0|2,0,2]=4 496 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,0,0,0,0,0|2,0,2]=4 497 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,0,0,0,0,0|2,0,2]=4 498 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,0,0,0,0,0|2,0,2]=4 499 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,0,0,0,0,0|2,0,2]=4 500 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,0,0,0,0,0|2,0,2]=4 501 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,0,0,0,0,0|2,0,2]=4 502 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,0,0,0,0,0|2,0,2]=4 503 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,0,0,0,0,0|2,0,2]=4 504 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,0,0,0,0,0|2,0,2]=4 505 B8R0.6 CNC(C)CCCC#N 270004a_106832991635_200000032708 [0,0,0,0,0,0|3,0,1]=4 506 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,0,0,0,0,0|3,0,0]=3 507 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,0,0,0,0,0|2,0,2]=4 508 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,0,0,0,0,0|2,0,2]=4 509 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,0,0,0,0,0|2,0,2]=4 510 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,0,0,0,0,0|2,0,2]=4 511 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,0,0,0,0,0|2,0,2]=4 512 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,0,0,0,0,0|2,0,2]=4 513 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,0,0,0,0,0|2,0,2]=4 514 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,0,0,0,0,0|2,0,2]=4 515 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,0,0,0,0,0|2,0,2]=4 516 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,0,0,0,0,0|2,0,2]=4 517 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,0,0,0,0,0|2,0,2]=4 518 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,0,0,0,0,0|2,0,2]=4 519 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [0,0,0,0,0,0|4,0,0]=4 520 B8R0.6 COC(C)COCCF 34a_100000690652_100011217306 [0,0,0,0,0,0|4,0,0]=4 521 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [0,0,0,0,0,0|4,0,0]=4 522 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [0,0,0,0,0,0|4,0,0]=4 523 B8R0.6 COC(C)SCCCF 62a_100009879195_100011934791 [0,0,0,0,0,0|4,0,0]=4 524 B8R0.6 COC(C)SCCCF 62a_100011934791_100009879195 [0,0,0,0,0,0|4,0,0]=4 525 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,0,0,0,0,0|4,0,0]=4 526 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,0,0,0,0,0|4,0,0]=4 527 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,0,0,0,0,0|4,0,0]=4 528 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,0,0,0,0,0|4,0,0]=4 529 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,0,0,0,0,0|2,0,2]=4 530 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,0,0,0,0,0|2,0,2]=4 531 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,0,0,0,0,0|2,0,2]=4 532 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,0,0,0,0,0|3,0,0]=3 533 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,0,0,0,0,0|3,0,0]=3 534 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,0,0,0,0,0|3,0,0]=3 535 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,0,0,0,0,0|3,0,0]=3 536 B8R0.6 COCCCN(C)CF 269982a_100000224831_100015361967 [0,0,0,0,0,0|4,0,0]=4 537 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,0,0,0,0,0|3,0,0]=3 538 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [0,0,0,0,0,0|4,0,0]=4 539 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [0,0,0,0,0,0|4,0,0]=4 540 B8R0.6 COCCOC(C)CF 34a_100016041109_100011201679 [0,0,0,0,0,0|4,0,0]=4 541 B8R0.6 COCCOC(C)CF 7a_100016041109_100000233755 [0,0,0,0,0,0|4,0,0]=4 542 B8R0.6 COCCOC(C)CN 34a_100000210904_100011201679 [0,0,0,0,0,0|4,0,0]=4 543 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [0,0,0,0,0,0|4,0,0]=4 544 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [0,0,0,0,0,0|4,0,0]=4 545 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [0,0,0,0,0,0|4,0,0]=4 546 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [0,0,0,0,0,0|4,0,0]=4 547 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [0,0,0,0,0,0|4,0,0]=4 548 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [0,0,0,0,0,0|4,0,0]=4 549 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [0,0,0,0,0,0|4,0,0]=4 550 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [0,0,0,0,0,0|3,0,0]=3 551 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,0,0,0,0,0|3,0,0]=3 552 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,0,0,0,0,0|3,0,0]=3 553 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,0,0,0,0,0|4,0,0]=4 554 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,0,0,0,0,0|4,0,0]=4 555 B8R0.6 COCSC[C@@H](O)CF 62a_100000766300_100015614560 [0,0,0,0,0,0|3,0,0]=3 556 B8R0.6 COCSC[C@@H](O)CF 62a_100015614560_100000766300 [0,0,0,0,0,0|3,0,0]=3 557 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,0,0,0,0,0|3,0,0]=3 558 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,0,0,0,0,0|3,0,0]=3 559 B8R0.6 CO[C@H](C)CNCCF 2230a_100020591295_100011217306 [0,0,0,0,0,0|4,0,0]=4 560 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,0,0,0,0,0|4,0,0]=4 561 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,0,0,0,0,0|4,0,0]=4 562 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,0,0,0,0,0|2,0,2]=4 563 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [0,0,0,0,0,0|4,0,0]=4 564 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [0,0,0,0,0,0|4,0,0]=4 565 B8R0.6 CSCCOC(C)CF 34a_100016041109_100000212216 [0,0,0,0,0,0|4,0,0]=4 566 B8R0.6 CSCCOC(C)CF 7a_100016041109_100000212216 [0,0,0,0,0,0|4,0,0]=4 567 B8R0.6 CSCCOC(C)CN 34a_100000210904_100000212216 [0,0,0,0,0,0|4,0,0]=4 568 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [0,0,0,0,0,0|4,0,0]=4 569 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [0,0,0,0,0,0|4,0,0]=4 570 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [0,0,0,0,0,0|4,0,0]=4 571 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [0,0,0,0,0,0|4,0,0]=4 572 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [0,0,0,0,0,0|4,0,0]=4 573 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,0,0,0,0,0|4,0,0]=4 574 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [0,0,0,0,0,0|4,0,0]=4 575 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,0,0,0,0,0|3,0,0]=3 576 B8R0.6 CSCOCC(C)CN 34a_100000744482_100011218213 [0,0,0,0,0,0|4,0,0]=4 577 B8R0.6 CSCOCC(Cl)CCl 34a_100000033668_100011218213 [0,0,0,0,0,0|4,0,0]=4 578 B8R0.6 CSCOC[C@H](F)CN 34a_100015665980_100011218213 [0,0,0,0,0,0|4,0,0]=4 579 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,0,0,0,0,0|3,0,0]=3 580 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,0,0,0,0,0|3,0,0]=3 581 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [0,0,0,0,0,0|4,0,0]=4 582 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [0,0,0,0,0,0|4,0,0]=4 583 B8R0.6 CSCSC[C@@H](O)CF 62a_100011218213_100015614560 [0,0,0,0,0,0|3,0,0]=3 584 B8R0.6 CSCSC[C@@H](O)CF 62a_100015614560_100011218213 [0,0,0,0,0,0|3,0,0]=3 585 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,0,0,0,0,0|3,0,0]=3 586 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,0,0,0,0,0|3,0,0]=3 587 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,0,0,0,0,0|3,0,0]=3 588 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,0,0,0,0,0|4,0,0]=4 589 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,0,0,0,0,0|4,0,0]=4 590 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,0,0,0,0,0|4,0,0]=4 591 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,0,0,0,0,0|4,0,0]=4 592 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,0,0,0,0,0|4,0,0]=4 593 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,0,0,0,0,0|4,0,0]=4 594 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,0,0,0,0,0|4,0,0]=4 595 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,0,0,0,0,0|4,0,0]=4 596 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,0,0,0,0,0|4,0,0]=4 597 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [0,0,0,0,0,0|4,0,0]=4 598 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,0,0,0,0,0|4,0,0]=4 599 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [0,0,0,0,0,0|4,0,0]=4 600 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [0,0,0,0,0,0|4,0,0]=4 601 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,0,0,0,0,0|4,0,0]=4 602 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,0,0,0,0,0|4,0,0]=4 603 B8R0.6 FCCOCC(Cl)CCl 34a_100000033668_100011217306 [0,0,0,0,0,0|4,0,0]=4 604 B8R0.6 N#CCNC[C@H](O)CO 2230a_100020644852_100011215382 [0,0,0,0,0,0|3,0,1]=4 605 B8R0.6 N#CCSCC(O)CO 62a_100011215382_100011219619 [0,0,0,0,0,0|3,0,1]=4 606 B8R0.6 N#CCSCC(O)CO 62a_100011219619_100011215382 [0,0,0,0,0,0|3,0,1]=4 607 B8R0.6 N#CCSC[C@@H](O)CF 62a_100011215382_100015614560 [0,0,0,0,0,0|3,0,1]=4 608 B8R0.6 N#CCSC[C@@H](O)CF 62a_100015614560_100011215382 [0,0,0,0,0,0|3,0,1]=4 609 B8R0.6 N#CCSC[C@@H](O)CO 62a_100009815848_100011215382 [0,0,0,0,0,0|3,0,1]=4 610 B8R0.6 N#CCSC[C@@H](O)CO 62a_100011215382_100009815848 [0,0,0,0,0,0|3,0,1]=4 611 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,0,0,0,0,0|3,0,0]=3 612 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [0,0,0,0,0,0|3,0,0]=3 613 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,0,0,0,0,0|3,0,0]=3 614 B8R0.6 NC[C@@H](F)COCCF 34a_100015665980_100011217306 [0,0,0,0,0,0|4,0,0]=4 615 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [0,0,0,0,0,0|4,0,0]=4 616 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,0,0,0,0,0|2,0,2]=4 617 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,0,0,0,0,0|2,0,2]=4 618 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,0,0,0,0,0|2,0,2]=4 619 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,0,0,0,0,0|3,0,1]=4 620 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,0,0,0,0,0|3,0,1]=4 621 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,0,0,0,0,0|3,0,1]=4 622 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,0,0,0,0,0|3,0,1]=4 623 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,0,0,0,0,0|3,0,1]=4 624 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,0,0,0,0,0|3,0,1]=4 625 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,0,0,0,0,0|3,0,1]=4 626 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,0,0,0,0,0|3,0,0]=3 627 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,0,0,0,0,0|3,0,0]=3 628 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,0,0,0,0,0|3,0,0]=3 629 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,0,0,0,0,0|3,0,0]=3 630 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,0,0,0,0,0|3,0,0]=3 631 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,0,0,0,0,0|3,0,0]=3 632 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,0,0,0,0,0|4,0,0]=4 633 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,0,0,0,0,0|3,0,0]=3 634 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,0,0,0,0,0|3,0,0]=3 635 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,0,0,0,0,0|3,0,0]=3 636 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,0,0,0,0,0|3,0,0]=3 637 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,0,0,0,0,0|3,0,0]=3 638 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,0,0,0,0,0|4,0,0]=4 639 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,0,0,0,0,0|3,0,0]=3 640 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,0,0,0,0,0|3,0,0]=3 641 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,0,0,0,0,0|3,0,0]=3 642 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,0,0,0,0,0|3,0,0]=3 643 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,0,0,0,0,0|3,0,0]=3 644 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,0,0,0,0,0|3,0,0]=3 645 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,0,0,0,0,0|3,0,0]=3 646 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [0,0,0,0,0,0|4,0,0]=4 647 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,0,0,0,0,0|3,0,0]=3 648 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,0,0,0,0,0|3,0,0]=3 649 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,0,0,0,0,0|3,0,0]=3 650 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,0,0,0,0,0|3,0,0]=3 651 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [0,0,0,0,0,0|3,0,0]=3 652 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [0,0,0,0,0,0|3,0,0]=3 653 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,0,0,0,0,0|3,0,0]=3 654 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,0,0,0,0,0|3,0,0]=3 655 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 656 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 657 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 658 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,0,0,0,0|1,0,2]=4 659 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 660 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 661 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 662 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 663 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|1,0,2]=4 664 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 665 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 666 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 667 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|1,0,2]=4 668 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|1,0,2]=4 669 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|1,0,2]=4 670 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|1,0,2]=4 671 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,0,0,0,0,0|1,0,2]=4 672 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,0,0,0,0,0|1,0,2]=4 673 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 674 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|1,0,2]=4 675 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 676 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,0,0,0,0,0|1,0,2]=4 677 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,0,0,0,0,0|1,0,2]=4 678 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,0,0,0,0,0|1,0,2]=4 679 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,0,0,0,0,0|1,0,2]=4 680 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,0,0,0,0,0|1,0,2]=4 681 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,0,0,0,0,0|1,0,2]=4 682 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,0,0,0,0,0|1,0,2]=4 683 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,0,0,0,0,0|1,0,2]=4 684 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,0,0,0,0,0|1,0,2]=4 685 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,0,0,0,0,0|1,0,2]=4 686 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,0,0,0,0,0|1,0,2]=4 687 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,0,0,0,0,0|1,0,2]=4 688 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,0,0,0,0,0|1,0,2]=4 689 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,0,0,0,0,0|1,0,2]=4 690 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,2]=4 691 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,2]=4 692 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,2]=4 693 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,0,2]=4 694 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,0,2]=4 695 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|1,0,2]=4 696 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|1,0,2]=4 697 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|1,0,2]=4 698 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|1,0,2]=4 699 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|1,0,2]=4 700 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|1,0,2]=4 701 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|1,0,2]=4 702 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,0,2]=4 703 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,0,2]=4 704 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,0,2]=4 705 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,0,2]=4 706 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,0,2]=4 707 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,2]=4 708 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,2]=4 709 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,2]=4 710 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,2]=4 711 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,2]=4 712 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,2]=4 713 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,2]=4 714 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 715 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,2]=4 716 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 717 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|1,0,2]=4 718 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|1,0,2]=4 719 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|1,0,2]=4 720 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|1,0,2]=4 721 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|1,0,2]=4 722 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|1,0,2]=4 723 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|1,0,2]=4 724 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|1,0,2]=4 725 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|1,0,2]=4 726 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|1,0,2]=4 727 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 728 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,2]=4 729 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 730 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,2]=4 731 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,2]=4 732 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,0,0,0,0,0|1,0,2]=4 733 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 734 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 735 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,0,0,0,0,0|1,0,2]=4 736 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,0,0,0,0,0|1,0,2]=4 737 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,0,0,0,0,0|1,0,2]=4 738 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,0,0,0,0,0|1,0,2]=4 739 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|1,0,2]=4 740 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|1,0,2]=4 741 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|1,0,2]=4 742 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|1,0,2]=4 743 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|1,0,2]=4 744 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|1,0,2]=4 745 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|1,0,2]=4 746 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|1,0,2]=4 747 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,2]=4 748 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,2]=4 749 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,2]=4 750 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,2]=4 751 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|1,0,2]=4 752 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|1,0,2]=4 753 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|1,0,2]=4 754 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|1,0,2]=4 755 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|1,0,2]=4 756 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,2]=4 757 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,2]=4 758 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,2]=4 759 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,0,2]=4 760 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,0,2]=4 761 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,1]=4 762 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,0,0,0,0,0|1,0,2]=4 763 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,0,0,0,0,0|1,0,2]=4 764 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,0,0,0,0,0|1,0,2]=4 765 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,0,0,0,0,0|1,0,2]=4 766 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [1,0,0,0,0,0|1,0,2]=4 767 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [1,0,0,0,0,0|1,0,2]=4 768 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [1,0,0,0,0,0|1,0,2]=4 769 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [1,0,0,0,0,0|1,0,2]=4 770 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [1,0,0,0,0,0|1,0,2]=4 771 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 772 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 773 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 774 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 775 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,0,0,0,0|2,0,1]=4 776 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,0,0,0,0,0|1,0,2]=4 777 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,0,0,0,0,0|1,0,2]=4 778 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,0,0,0,0,0|1,0,2]=4 779 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,0,0,0,0,0|1,0,2]=4 780 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,0,0,0,0,0|2,0,1]=4 781 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,0]=2 782 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,0]=2 783 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,0]=2 784 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,0]=2 785 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,0]=2 786 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,0]=2 787 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,0]=2 788 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,0]=2 789 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,0]=2 790 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,0]=2 791 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,0]=2 792 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,0]=2 793 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,0]=2 794 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,0]=2 795 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,0]=2 796 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,0]=2 797 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,0]=2 798 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,0]=2 799 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,0]=2 800 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 801 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 802 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,0]=2 803 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,0]=2 804 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,0]=3 805 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,0]=3 806 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,0,0,0,0,0|2,0,1]=4 807 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,0,0,0,0,0|2,0,1]=4 808 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|2,0,1]=4 809 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|2,0,1]=4 810 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,0]=2 811 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,0]=2 812 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,0]=3 813 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,0]=3 814 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,0]=3 815 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|2,0,0]=3 816 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|2,0,0]=3 817 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|2,0,0]=3 818 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|2,0,0]=3 819 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,0]=3 820 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,0]=3 821 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,0,0,0,0,0|2,0,1]=4 822 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|2,0,1]=4 823 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|2,0,1]=4 824 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,0]=3 825 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,0]=2 826 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,0]=2 827 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,0]=2 828 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,0]=3 829 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,0]=3 830 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,0]=3 831 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|2,0,0]=3 832 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|2,0,0]=3 833 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,0]=3 834 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,0]=3 835 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,0]=3 836 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,0]=3 837 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,0]=3 838 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,0]=3 839 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,0]=3 840 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,0]=3 841 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,0,0,0,0,0|2,0,1]=4 842 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,0,0,0,0,0|2,0,1]=4 843 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|2,0,1]=4 844 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|2,0,1]=4 845 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,0,0]=2 846 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,0,0]=2 847 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,0,0]=3 848 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,0,0]=3 849 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|2,0,0]=3 850 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|2,0,0]=3 851 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,0]=3 852 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,0]=3 853 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,0]=3 854 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,0]=3 855 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,0]=3 856 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,0]=3 857 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,0,0]=3 858 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,0]=3 859 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,0]=3 860 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,0]=3 861 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,0]=3 862 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,0]=3 863 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,0]=3 864 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|2,0,0]=3 865 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|2,0,0]=3 866 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|2,0,0]=3 867 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|2,0,0]=3 868 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|2,0,0]=3 869 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|2,0,0]=3 870 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|2,0,0]=3 871 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|2,0,0]=3 872 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|2,0,0]=3 873 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|2,0,0]=3 874 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|2,0,0]=3 875 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|2,0,0]=3 876 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|2,0,0]=3 877 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|3,0,0]=4 878 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|2,0,0]=3 879 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|2,0,0]=3 880 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,0]=3 881 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,0]=3 882 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,0]=3 883 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,0]=3 884 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,0]=3 885 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,0]=3 886 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,0]=3 887 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,0,0,0,0,0|2,0,1]=4 888 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,0,0,0,0,0|2,0,1]=4 889 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,0,0]=3 890 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,0,0]=3 891 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|2,0,0]=3 892 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|2,0,0]=3 893 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|2,0,0]=3 894 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|2,0,0]=3 895 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|2,0,0]=3 896 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|2,0,0]=3 897 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|2,0,0]=3 898 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|2,0,0]=3 899 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|2,0,0]=3 900 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|2,0,0]=3 901 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,0]=3 902 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,0]=3 903 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,0,0]=3 904 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,0,0]=3 905 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,0,0,0,0,0|2,0,1]=4 906 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|2,0,1]=4 907 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|2,0,0]=3 908 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|2,0,0]=3 909 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|2,0,0]=3 910 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,0]=3 911 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|2,0,0]=3 912 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|2,0,0]=3 913 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|2,0,0]=3 914 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|2,0,0]=3 915 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|2,0,0]=3 916 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|2,0,0]=3 917 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,0,0,0,0,0|2,0,0]=3 918 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,0,0,0,0,0|2,0,0]=3 919 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,0]=3 920 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 921 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 922 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,0]=3 923 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,0]=3 924 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,0]=3 925 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,0]=3 926 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,0]=3 927 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|2,0,0]=3 928 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|2,0,0]=3 929 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|2,0,0]=3 930 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|2,0,0]=3 931 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|2,0,0]=3 932 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|2,0,0]=3 933 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|2,0,0]=3 934 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|2,0,0]=3 935 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|2,0,0]=3 936 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|2,0,0]=3 937 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 938 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|2,0,0]=3 939 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|2,0,0]=3 940 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 941 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 942 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 943 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 944 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,0,0]=3 945 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,0,0]=3 946 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 947 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,0,0]=3 948 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,0,0]=3 949 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,0,0,0,0,0|3,0,0]=4 950 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|2,0,0]=3 951 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|2,0,0]=3 952 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|2,0,0]=3 953 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 954 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 955 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|2,0,0]=3 956 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|2,0,0]=3 957 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|2,0,0]=3 958 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|2,0,0]=3 959 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|2,0,0]=3 960 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,0,0,0,0,0|3,0,0]=4 961 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,0,0,0,0,0|3,0,0]=4 962 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,0,0,0,0,0|3,0,0]=4 963 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,0,0,0,0,0|3,0,0]=4 964 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,0,0,0,0,0|3,0,0]=4 965 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,0,0,0,0,0|3,0,0]=4 966 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,0,0,0,0,0|3,0,0]=4 967 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,0,0,0,0,0|3,0,0]=4 968 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,0,0,0,0,0|3,0,0]=4 969 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,0,0,0,0,0|3,0,0]=4 970 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,0,0,0,0,0|2,0,1]=4 971 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,0,0,0,0,0|2,0,1]=4 972 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|2,0,1]=4 973 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|2,0,1]=4 974 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|2,0,0]=3 975 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|2,0,0]=3 976 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|2,0,0]=3 977 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 978 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 979 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|2,0,0]=3 980 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|2,0,0]=3 981 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 982 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 983 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 984 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 985 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 986 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,0,0,0,0,0|2,0,0]=3 987 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,0,0,0,0,0|2,0,0]=3 988 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,0,0,0,0,0|3,0,0]=4 989 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,0,0,0,0,0|3,0,0]=4 990 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 991 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 992 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|2,0,1]=4 993 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|2,0,1]=4 994 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,0]=3 995 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,0]=3 996 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,0]=3 997 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 998 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|2,0,0]=3 999 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 1000 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|2,0,0]=3 1001 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|2,0,0]=3 1002 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|2,0,0]=3 1003 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|2,0,0]=3 1004 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|2,0,0]=3 1005 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,0,0,0,0,0|3,0,0]=4 1006 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,0,0,0,0,0|3,0,0]=4 1007 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,0,0,0,0,0|3,0,0]=4 1008 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,0,0,0,0,0|3,0,0]=4 1009 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,0,0,0,0,0|3,0,0]=4 1010 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,0,0,0,0,0|3,0,0]=4 1011 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,0,0,0,0,0|3,0,0]=4 1012 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,0,0,0,0,0|3,0,0]=4 1013 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 1014 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 1015 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1016 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1017 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,0]=3 1018 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 1019 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 1020 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 1021 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|2,0,0]=3 1022 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|2,0,0]=3 1023 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|2,0,0]=3 1024 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|2,0,0]=3 1025 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|2,0,0]=3 1026 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|2,0,0]=3 1027 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|2,0,0]=3 1028 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|2,0,0]=3 1029 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|2,0,0]=3 1030 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|2,0,0]=3 1031 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,0,0,0,0,0|3,0,0]=4 1032 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|3,0,0]=4 1033 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,0,0,0,0,0|3,0,0]=4 1034 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,0,0,0,0,0|3,0,0]=4 1035 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,0,0,0,0,0|3,0,0]=4 1036 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,0,0,0,0,0|3,0,0]=4 1037 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,0,0,0,0|3,0,0]=4 1038 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,0,0,0,0|3,0,0]=4 1039 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,0,0,0,0|3,0,0]=4 1040 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,0,0,0,0,0|3,0,0]=4 1041 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,0,0,0,0,0|3,0,0]=4 1042 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,0,0,0,0,0|3,0,0]=4 1043 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,0,0,0,0,0|3,0,0]=4 1044 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,0,0,0,0,0|3,0,0]=4 1045 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1046 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1047 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,0,0,0,0,0|3,0,0]=4 1048 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,0,0,0,0,0|3,0,0]=4 1049 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,0,0,0,0,0|3,0,0]=4 1050 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,0,0,0,0,0|3,0,0]=4 1051 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,0,0,0,0,0|3,0,0]=4 1052 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,0,0,0,0,0|3,0,0]=4 1053 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,0,0,0,0,0|3,0,0]=4 1054 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|3,0,0]=4 1055 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|3,0,0]=4 1056 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|3,0,0]=4 1057 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|3,0,0]=4 1058 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|3,0,0]=4 1059 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|3,0,0]=4 1060 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|3,0,0]=4 1061 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,0,0,0,0,0|3,0,0]=4 1062 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,0,0,0,0,0|3,0,0]=4 1063 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,0,0,0,0,0|3,0,0]=4 1064 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,0,0,0,0,0|3,0,0]=4 1065 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,0,0,0,0,0|3,0,0]=4 1066 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,0,0,0,0,0|3,0,0]=4 1067 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,0,0,0,0,0|3,0,0]=4 1068 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,0,0,0,0,0|3,0,0]=4 1069 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,0,0,0,0,0|3,0,0]=4 1070 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|3,0,0]=4 1071 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,0,0,0,0,0|3,0,0]=4 1072 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,0,0,0,0,0|3,0,0]=4 1073 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,0,0,0,0,0|3,0,0]=4 1074 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,0,0,0,0,0|3,0,0]=4 1075 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|3,0,0]=4 1076 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|3,0,0]=4 1077 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,0,1]=4 1078 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,0,1]=4 1079 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|2,0,1]=4 1080 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|2,0,1]=4 1081 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,0]=3 1082 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,0]=3 1083 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1084 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|2,0,0]=3 1085 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|2,0,0]=3 1086 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|2,0,0]=3 1087 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 1088 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 1089 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,0,0,0,0,0|3,0,0]=4 1090 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,0,0,0,0,0|3,0,0]=4 1091 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,0,0,0,0|3,0,0]=4 1092 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,0,0,0,0|3,0,0]=4 1093 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,0,0,0,0|3,0,0]=4 1094 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,0,0,0,0,0|3,0,0]=4 1095 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,0,0,0,0,0|3,0,0]=4 1096 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 1097 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 1098 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,0,0,0,0,0|3,0,0]=4 1099 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|3,0,0]=4 1100 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1101 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|3,0,0]=4 1102 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|3,0,0]=4 1103 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,0,0,0,0,0|3,0,0]=4 1104 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,0,0,0,0,0|3,0,0]=4 1105 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,0,0,0,0,0|3,0,0]=4 1106 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,0,0,0,0,0|3,0,0]=4 1107 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,0,0,0,0,0|3,0,0]=4 1108 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,0,0,0,0,0|3,0,0]=4 1109 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,0,0,0,0,0|3,0,0]=4 1110 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [1,0,0,0,0,0|3,0,0]=4 1111 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [1,0,0,0,0,0|3,0,0]=4 1112 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,0,0,0,0,0|3,0,0]=4 1113 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,0,0,0,0,0|3,0,0]=4 1114 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,0,0,0,0,0|3,0,0]=4 1115 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,0,0,0,0,0|3,0,0]=4 1116 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [1,0,0,0,0,0|3,0,0]=4 1117 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [1,0,0,0,0,0|3,0,0]=4 1118 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,0,0,0,0,0|3,0,0]=4 1119 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,0,0,0,0,0|3,0,0]=4 1120 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 1121 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 1122 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [1,0,0,0,0,0|3,0,0]=4 1123 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [1,0,0,0,0,0|3,0,0]=4 1124 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [1,0,0,0,0,0|3,0,0]=4 1125 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [1,0,0,0,0,0|3,0,0]=4 1126 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [1,0,0,0,0,0|3,0,0]=4 1127 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,0,0,0,0,0|3,0,0]=4 1128 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,0,0,0,0,0|3,0,0]=4 1129 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [1,0,0,0,0,0|3,0,0]=4 1130 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [1,0,0,0,0,0|3,0,0]=4 1131 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,0,0,0,0,0|3,0,0]=4 1132 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,0,0,0,0,0|3,0,0]=4 1133 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,0,0,0,0,0|3,0,0]=4 1134 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1135 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1136 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,0,0,0,0,0|3,0,0]=4 1137 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,0,0,0,0,0|3,0,0]=4 1138 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,0,0,0,0,0|3,0,0]=4 1139 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,0,0,0,0|3,0,0]=4 1140 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,0,0,0,0,0|3,0,0]=4 1141 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,0,0,0,0|3,0,0]=4 1142 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,0,0,0,0,0|3,0,0]=4 1143 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1144 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,0,0,0,0,0|3,0,0]=4 1145 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,0,0,0,0,0|3,0,0]=4 1146 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,0,0,0,0|3,0,0]=4 1147 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,0,0,0,0|3,0,0]=4 1148 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,0,0,0,0|3,0,0]=4 1149 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,0,0,0,0,0|3,0,0]=4 1150 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,0,0,0,0,0|3,0,0]=4 1151 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,0,0,0,0,0|3,0,0]=4 1152 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,0,0,0,0,0|3,0,0]=4 1153 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,0,0,0,0,0|3,0,0]=4 1154 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,0,0,0,0,0|3,0,0]=4 1155 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,0,0,0,0,0|3,0,0]=4 1156 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,0,0,0,0,0|3,0,0]=4 1157 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,0,0,0,0|3,0,0]=4 1158 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,0,0,0,0|3,0,0]=4 1159 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,0,0,0,0|3,0,0]=4 1160 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,0,0,0,0,0|3,0,0]=4 1161 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,0,0,0,0,0|3,0,0]=4 1162 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1163 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1164 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,0,0,0,0,0|3,0,0]=4 1165 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,0,0,0,0,0|3,0,0]=4 1166 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,0,0,0,0,0|3,0,0]=4 1167 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1168 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1169 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1170 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1171 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1172 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1173 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1174 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,0,0,0,0,0|3,0,0]=4 1175 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,0,0,0,0,0|3,0,0]=4 1176 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1177 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1178 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,0,0,0,0,0|3,0,0]=4 1179 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,0,0,0,0,0|3,0,0]=4 1180 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,0,0,0,0,0|3,0,0]=4 1181 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,0,0,0,0,0|3,0,0]=4 1182 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,0,0,0,0,0|3,0,0]=4 1183 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,0,1]=4 1184 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,0,1]=4 1185 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|2,0,1]=4 1186 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|2,0,1]=4 1187 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,0]=3 1188 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,0]=3 1189 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1190 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|2,0,0]=3 1191 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1192 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|3,0,0]=4 1193 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,0,0,0,0,0|1,0,2]=4 1194 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,0,0,0,0,0|1,0,2]=4 1195 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,0,0,0,0,0|1,0,2]=4 1196 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,0,0,0,0,0|1,0,2]=4 1197 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,0,0,0,0,0|3,0,0]=4 1198 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,0,0,0,0,0|3,0,0]=4 1199 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,0,0,0,0,0|3,0,0]=4 1200 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,0,0,0,0,0|3,0,0]=4 1201 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|1,0,2]=4 1202 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,2]=4 1203 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|1,0,2]=4 1204 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|1,0,2]=4 1205 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|1,0,2]=4 1206 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|1,0,2]=4 1207 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,0,0,0,0,0|2,0,0]=3 1208 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,0,0,0,0,0|2,0,0]=3 1209 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,0,0,0,0,0|2,0,0]=3 1210 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,0,0,0,0,0|2,0,0]=3 1211 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,0,0,0,0,0|3,0,0]=4 1212 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,0,0,0,0,0|3,0,0]=4 1213 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [1,0,0,0,0,0|3,0,0]=4 1214 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [1,0,0,0,0,0|3,0,0]=4 1215 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,0,0,0,0,0|3,0,0]=4 1216 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,0,0,0,0,0|3,0,0]=4 1217 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,0,0,0,0,0|3,0,0]=4 1218 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [1,0,0,0,0,0|3,0,0]=4 1219 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [1,0,0,0,0,0|3,0,0]=4 1220 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,0,0,0,0,0|3,0,0]=4 1221 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,0,0,0,0,0|3,0,0]=4 1222 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,0,0,0,0,0|3,0,0]=4 1223 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,0,0,0,0,0|3,0,0]=4 1224 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,0,0,0,0,0|3,0,0]=4 1225 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,0,0,0,0,0|3,0,0]=4 1226 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,0,0,0,0,0|3,0,0]=4 1227 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,0,0,0,0,0|3,0,0]=4 1228 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,0,0,0,0,0|3,0,0]=4 1229 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,0,0,0,0,0|3,0,0]=4 1230 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,0,0,0,0,0|3,0,0]=4 1231 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,0,0,0,0,0|3,0,0]=4 1232 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [1,0,0,0,0,0|2,0,0]=3 1233 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [1,0,0,0,0,0|2,0,0]=3 1234 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|0,0,2]=3 1235 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|0,0,2]=3 1236 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|1,0,2]=4 1237 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,2]=4 1238 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,2]=4 1239 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,2]=4 1240 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,2]=4 1241 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,2]=4 1242 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|2,0,0]=3 1243 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|2,0,0]=3 1244 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|2,0,0]=3 1245 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|2,0,0]=3 1246 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|2,0,0]=3 1247 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|2,0,0]=3 1248 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|2,0,0]=3 1249 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|2,0,0]=3 1250 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|2,0,0]=3 1251 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|2,0,0]=3 1252 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|2,0,0]=3 1253 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|2,0,0]=3 1254 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|2,0,0]=3 1255 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|2,0,0]=3 1256 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|2,0,0]=3 1257 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|2,0,0]=3 1258 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|2,0,0]=3 1259 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|2,0,0]=3 1260 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|2,0,0]=3 1261 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|2,0,0]=3 1262 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|2,0,0]=3 1263 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [1,0,0,0,0,0|3,0,0]=4 1264 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|2,0,0]=3 1265 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|2,0,0]=3 1266 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 1267 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 1268 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 1269 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|1,0,2]=4 1270 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,0,0,0,0|2,0,0]=3 1271 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,0,0,0,0,0|3,0,0]=4 1272 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,0,0,0,0|2,0,0]=3 1273 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,0,0,0,0|2,0,0]=3 1274 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,0,0,0,0,0|3,0,0]=4 1275 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,0,0,0,0,0|3,0,0]=4 1276 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,0,0,0,0,0|3,0,0]=4 1277 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,0,0,0,0,0|3,0,0]=4 1278 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,0,0,0,0,0|2,0,0]=3 1279 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,0,0,0,0,0|2,0,0]=3 1280 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,0,0,0,0,0|3,0,0]=4 1281 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,0,0,0,0,0|3,0,0]=4 1282 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,0,0,0,0,0|3,0,0]=4 1283 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,0,0,0,0,0|3,0,0]=4 1284 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,0,0,0,0,0|3,0,0]=4 1285 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [1,0,0,0,0,0|3,0,0]=4 1286 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [1,0,0,0,0,0|3,0,0]=4 1287 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,0,0,0,0,0|3,0,0]=4 1288 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,0,0,0,0,0|3,0,0]=4 1289 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,0,0,0,0,0|3,0,0]=4 1290 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,0,0,0,0,0|3,0,0]=4 1291 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,0,0,0,0,0|3,0,0]=4 1292 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,0,0,0,0,0|3,0,0]=4 1293 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,0,0,0,0,0|3,0,0]=4 1294 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,0,0,0,0,0|3,0,0]=4 1295 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,0,0,0,0,0|3,0,0]=4 1296 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,0,0,0,0,0|3,0,0]=4 1297 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,0,0,0,0,0|3,0,0]=4 1298 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,0,0,0,0,0|3,0,0]=4 1299 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,0,0,0,0,0|3,0,0]=4 1300 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,0,0,0,0,0|3,0,0]=4 1301 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,0,0,0,0,0|3,0,0]=4 1302 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,0,0,0,0,0|3,0,0]=4 1303 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,0,0,0,0,0|2,0,0]=3 1304 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,0,0,0,0,0|2,0,0]=3 1305 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,0,0,0,0,0|2,0,0]=3 1306 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,0,0,0,0,0|3,0,0]=4 1307 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,0,0,0,0,0|1,0,0]=2 1308 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,0,0,0,0,0|1,0,0]=2 1309 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,0,0,0,0,0|2,0,0]=3 1310 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,0,0,0,0,0|2,0,0]=3 1311 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,0,0,0,0,0|3,0,0]=4 1312 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,0,0,0,0,0|3,0,0]=4 1313 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,0,0,0,0,0|3,0,0]=4 1314 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [1,0,0,0,0,0|2,0,0]=3 1315 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,0,0,0,0,0|2,0,0]=3 1316 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,0,0,0,0,0|2,0,0]=3 1317 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|1,0,2]=4 1318 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|1,0,2]=4 1319 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,0,0,0,0,0|2,0,0]=3 1320 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,0,0,0,0,0|3,0,0]=4 1321 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,0,0,0,0,0|3,0,0]=4 1322 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,0,0,0,0,0|3,0,0]=4 1323 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,0,0,0,0,0|3,0,0]=4 1324 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,0,0,0,0,0|3,0,0]=4 1325 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,0,0,0,0,0|3,0,0]=4 1326 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [1,0,0,0,0,0|3,0,0]=4 1327 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,0,0,0,0,0|1,0,0]=2 1328 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,0,0,0,0,0|2,0,0]=3 1329 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,0,0,0,0,0|3,0,0]=4 1330 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,0,0,0,0,0|2,0,0]=3 1331 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,0,0,0,0,0|2,0,0]=3 1332 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,0,0,0,0,0|3,0,0]=4 1333 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,0,0,0,0,0|2,0,0]=3 1334 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,0,0,0,0,0|2,0,0]=3 1335 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [1,0,0,0,0,0|3,0,0]=4 1336 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|1,0,2]=4 1337 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|1,0,2]=4 1338 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|1,0,2]=4 1339 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,0,0,0,0,0|2,0,0]=3 1340 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,0,0,0,0,0|2,0,0]=3 1341 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,0,0,0,0,0|3,0,0]=4 1342 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,0,0,0,0,0|1,0,0]=2 1343 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,0,0,0,0,0|1,0,0]=2 1344 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,0,0,0,0,0|2,0,0]=3 1345 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,0,0,0,0,0|2,0,0]=3 1346 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,0,0,0,0,0|2,0,0]=3 1347 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,0,0,0,0,0|2,0,0]=3 1348 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,0,0,0,0,0|3,0,0]=4 1349 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,0,0,0,0,0|3,0,0]=4 1350 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,0,0,0,0,0|2,0,0]=3 1351 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,0,0,0,0,0|2,0,0]=3 1352 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,0,0,0,0,0|2,0,0]=3 1353 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,0,0,0,0,0|2,0,0]=3 1354 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [1,0,0,0,0,0|3,0,0]=4 1355 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,0,0,0,0,0|3,0,0]=4 1356 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,0,0,0,0,0|3,0,0]=4 1357 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,0,0,0,0,0|3,0,0]=4 1358 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,0,0,0,0,0|3,0,0]=4 1359 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,0,0,0,0,0|3,0,0]=4 1360 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,0,0,0,0,0|3,0,0]=4 1361 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,0,0,0,0,0|3,0,0]=4 1362 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,0,0,0,0,0|3,0,0]=4 1363 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,0,0,0,0,0|3,0,0]=4 1364 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,0,0,0,0,0|3,0,0]=4 1365 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [1,0,0,0,0,0|3,0,0]=4 1366 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [1,0,0,0,0,0|3,0,0]=4 1367 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [1,0,0,0,0,0|3,0,0]=4 1368 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [1,0,0,0,0,0|3,0,0]=4 1369 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [1,0,0,0,0,0|3,0,0]=4 1370 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [1,0,0,0,0,0|3,0,0]=4 1371 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [1,0,0,0,0,0|1,0,2]=4 1372 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [1,0,0,0,0,0|1,0,2]=4 1373 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [1,0,0,0,0,0|1,0,2]=4 1374 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [1,0,0,0,0,0|1,0,2]=4 1375 B7R0.4 C#CCOCC(C)O 34a_100000210247_100011218427 [1,0,0,0,0,0|1,0,2]=4 1376 B7R0.4 C#CCOC[C@@H](C)O 34a_100000210247_100009817552 [1,0,0,0,0,0|1,0,2]=4 1377 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [1,0,0,0,0,0|1,0,2]=4 1378 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [1,0,0,0,0,0|1,0,2]=4 1379 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|2,0,1]=4 1380 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|2,0,1]=4 1381 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|2,0,1]=4 1382 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|2,0,1]=4 1383 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|2,0,1]=4 1384 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|2,0,1]=4 1385 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|2,0,1]=4 1386 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|2,0,1]=4 1387 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|2,0,1]=4 1388 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,0,0,0,0,0|1,0,2]=4 1389 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,0,0,0,0,0|1,0,2]=4 1390 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,0,0,0,0,0|1,0,2]=4 1391 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,0,0,0,0,0|1,0,2]=4 1392 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,0,0,0,0,0|1,0,2]=4 1393 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,0,0,0,0,0|1,0,2]=4 1394 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,0,0,0,0,0|1,0,2]=4 1395 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,0,0,0,0,0|1,0,2]=4 1396 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,0,0,0,0,0|1,0,2]=4 1397 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,0,0,0,0,0|1,0,2]=4 1398 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|1,0,2]=4 1399 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,2]=4 1400 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,2]=4 1401 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,0,2]=4 1402 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,0,2]=4 1403 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,2]=4 1404 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,2]=4 1405 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [1,0,0,0,0,0|3,0,0]=4 1406 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [1,0,0,0,0,0|3,0,0]=4 1407 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,0,0,0,0,0|3,0,0]=4 1408 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,0]=3 1409 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,0]=3 1410 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|2,0,0]=3 1411 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|2,0,0]=3 1412 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|2,0,0]=3 1413 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|2,0,0]=3 1414 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,0,0,0,0,0|3,0,0]=4 1415 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,0,0,0,0,0|3,0,0]=4 1416 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,0,0,0,0,0|3,0,0]=4 1417 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,0,0,0,0,0|3,0,0]=4 1418 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,0,0,0,0,0|3,0,0]=4 1419 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,0,0,0,0,0|3,0,0]=4 1420 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,0,0,0,0,0|3,0,0]=4 1421 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,0,0,0,0,0|3,0,0]=4 1422 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,0,0,0,0,0|3,0,0]=4 1423 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,0,0,0,0,0|3,0,0]=4 1424 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,0,0,0,0,0|3,0,0]=4 1425 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,0,0,0,0,0|3,0,0]=4 1426 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,0,0,0,0,0|3,0,0]=4 1427 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,0,0,0,0,0|3,0,0]=4 1428 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,0,0,0,0,0|3,0,0]=4 1429 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,0,0,0,0,0|3,0,0]=4 1430 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,0,0,0,0,0|3,0,0]=4 1431 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,0,0,0,0,0|3,0,0]=4 1432 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,0,0,0,0,0|3,0,0]=4 1433 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,0,0,0,0,0|3,0,0]=4 1434 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [1,0,0,0,0,0|3,0,0]=4 1435 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [1,0,0,0,0,0|3,0,0]=4 1436 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [1,0,0,0,0,0|3,0,0]=4 1437 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [1,0,0,0,0,0|3,0,0]=4 1438 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,0,0,0,0,0|3,0,0]=4 1439 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,0,0,0,0,0|3,0,0]=4 1440 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [1,0,0,0,0,0|3,0,0]=4 1441 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,0,0,0,0,0|3,0,0]=4 1442 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,0,0,0,0,0|3,0,0]=4 1443 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,0,0,0,0,0|3,0,0]=4 1444 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,0,0,0,0,0|3,0,0]=4 1445 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,0,0,0,0,0|3,0,0]=4 1446 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,0,0,0,0|3,0,0]=4 1447 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,0,0,0,0,0|3,0,0]=4 1448 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,0,0,0,0,0|3,0,0]=4 1449 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,0,0,0,0,0|3,0,0]=4 1450 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,0,0,0,0,0|3,0,0]=4 1451 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,0,0,0,0,0|3,0,0]=4 1452 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,0,0,0,0,0|3,0,0]=4 1453 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,0,0,0,0,0|3,0,0]=4 1454 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,0,0,0,0,0|3,0,0]=4 1455 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,0,0,0,0,0|3,0,0]=4 1456 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,0,0,0,0,0|3,0,0]=4 1457 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,0,0,0,0,0|3,0,0]=4 1458 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,0,0,0,0,0|3,0,0]=4 1459 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,0,0,0,0,0|3,0,0]=4 1460 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,0,0,0,0,0|3,0,0]=4 1461 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,0,0,0,0,0|3,0,0]=4 1462 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,0,0,0,0,0|3,0,0]=4 1463 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [1,0,0,0,0,0|3,0,0]=4 1464 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,0,0,0,0,0|3,0,0]=4 1465 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|1,0,0]=2 1466 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|1,0,0]=2 1467 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,0,0,0,0,0|2,0,0]=3 1468 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,0,0,0,0,0|2,0,0]=3 1469 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [1,0,0,0,0,0|2,0,1]=4 1470 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,0,0,0,0,0|2,0,1]=4 1471 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,0,0,0,0,0|2,0,1]=4 1472 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,0,0,0,0,0|2,0,0]=3 1473 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,0,0,0,0,0|2,0,0]=3 1474 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,0,0,0,0,0|2,0,0]=3 1475 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,0,0,0,0|2,0,0]=3 1476 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,0,0,0,0|2,0,0]=3 1477 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,0,0,0,0|2,0,0]=3 1478 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,0,0,0,0|2,0,0]=3 1479 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,0,0,0,0,0|2,0,0]=3 1480 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,0,0,0,0,0|2,0,0]=3 1481 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [1,0,0,0,0,0|2,0,1]=4 1482 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [1,0,0,0,0,0|2,0,1]=4 1483 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,0,0,0,0,0|2,0,1]=4 1484 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,0,0,0,0,0|2,0,1]=4 1485 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,0,0,0,0,0|2,0,0]=3 1486 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,0,0,0,0,0|2,0,0]=3 1487 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,0,0,0,0,0|2,0,0]=3 1488 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,0,0,0,0,0|2,0,0]=3 1489 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [1,0,0,0,0,0|2,0,1]=4 1490 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,2]=3 1491 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,2]=3 1492 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,2]=3 1493 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,0]=3 1494 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,0]=3 1495 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,0]=3 1496 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,0]=3 1497 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,0]=3 1498 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,0]=3 1499 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,2]=4 1500 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,2]=4 1501 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,2]=4 1502 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,2]=4 1503 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,0]=3 1504 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,0]=3 1505 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,0]=3 1506 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,0]=3 1507 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|2,0,0]=3 1508 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|2,0,0]=3 1509 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|2,0,0]=3 1510 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|2,0,0]=3 1511 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|2,0,0]=3 1512 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,1]=4 1513 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|2,0,0]=3 1514 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|2,0,0]=3 1515 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|2,0,0]=3 1516 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|1,0,0]=2 1517 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|1,0,0]=2 1518 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [1,0,0,0,0,0|3,0,0]=4 1519 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|1,0,2]=4 1520 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|1,0,2]=4 1521 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|1,0,2]=4 1522 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,0,0,0,0|2,0,0]=3 1523 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|2,0,0]=3 1524 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|2,0,0]=3 1525 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,0,0,0,0|2,0,0]=3 1526 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|1,0,0]=2 1527 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [1,0,0,0,0,0|3,0,0]=4 1528 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [1,0,0,0,0,0|3,0,0]=4 1529 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,0,0,0,0|2,0,0]=3 1530 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,0,0,0,0|2,0,0]=3 1531 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|1,0,0]=2 1532 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|1,0,2]=4 1533 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|1,0,2]=4 1534 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|2,0,0]=3 1535 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|2,0,0]=3 1536 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|1,0,0]=2 1537 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|1,0,0]=2 1538 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [1,0,0,0,0,0|3,0,0]=4 1539 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [1,0,0,0,0,0|3,0,0]=4 1540 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|1,0,0]=2 1541 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|1,0,0]=2 1542 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|2,0,0]=3 1543 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|2,0,0]=3 1544 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|1,0,0]=2 1545 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|1,0,0]=2 1546 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,0,0,0,0,0|3,0,0]=4 1547 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,2]=4 1548 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,2]=4 1549 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,2]=4 1550 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,2]=4 1551 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,2]=4 1552 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|2,0,0]=3 1553 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|2,0,0]=3 1554 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|2,0,0]=3 1555 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|2,0,0]=3 1556 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|1,0,0]=2 1557 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,0,0,0,0,0|3,0,0]=4 1558 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|3,0,0]=4 1559 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|3,0,0]=4 1560 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|2,0,0]=3 1561 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,0,0,0,0,0|3,0,0]=4 1562 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,0,0,0,0,0|3,0,0]=4 1563 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,0,0,0,0,0|3,0,0]=4 1564 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,2]=4 1565 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,2]=4 1566 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,2]=4 1567 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,2]=4 1568 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,2]=4 1569 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|2,0,0]=3 1570 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|2,0,0]=3 1571 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|1,0,0]=2 1572 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|1,0,0]=2 1573 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,0,0,0,0,0|3,0,0]=4 1574 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,0,0,0,0,0|3,0,0]=4 1575 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,0,0,0,0,0|3,0,0]=4 1576 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,0,0,0,0,0|3,0,0]=4 1577 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,0,0,0,0,0|3,0,0]=4 1578 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,0,0,0,0,0|3,0,0]=4 1579 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,0,0,0,0,0|3,0,0]=4 1580 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 1581 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 1582 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 1583 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 1584 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|3,0,0]=4 1585 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 1586 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 1587 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,2]=4 1588 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,2]=4 1589 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,0]=3 1590 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,0]=3 1591 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,0]=3 1592 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,0]=3 1593 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,0]=3 1594 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|1,0,0]=2 1595 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|1,0,0]=2 1596 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|1,0,0]=2 1597 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|3,0,0]=4 1598 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,1]=4 1599 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,0,0,0,0,0|3,0,0]=4 1600 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,0,0,0,0,0|3,0,0]=4 1601 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,0,0,0,0,0|3,0,0]=4 1602 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,0,0,0,0,0|3,0,0]=4 1603 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,0,0,0,0,0|3,0,0]=4 1604 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,0,0,0,0,0|3,0,0]=4 1605 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,0,0,0,0,0|3,0,0]=4 1606 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,0,0,0,0,0|3,0,0]=4 1607 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,0,0,0,0,0|3,0,0]=4 1608 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,0,0,0,0,0|3,0,0]=4 1609 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,0,2]=4 1610 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,0,2]=4 1611 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,0,2]=4 1612 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,0,2]=4 1613 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,0,2]=4 1614 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,0,2]=4 1615 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|2,0,0]=3 1616 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|2,0,0]=3 1617 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|2,0,0]=3 1618 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|1,0,0]=2 1619 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1620 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 1621 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1622 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 1623 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1624 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1625 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [1,0,0,0,0,0|3,0,0]=4 1626 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [1,0,0,0,0,0|3,0,0]=4 1627 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [1,0,0,0,0,0|3,0,0]=4 1628 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [1,0,0,0,0,0|3,0,0]=4 1629 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,0,0,0,0,0|3,0,0]=4 1630 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,0,0,0,0,0|3,0,0]=4 1631 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,0,0,0,0,0|3,0,0]=4 1632 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,0,0,0,0,0|3,0,0]=4 1633 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,0,0,0,0,0|3,0,0]=4 1634 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,0,0,0,0,0|3,0,0]=4 1635 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,0,0,0,0,0|3,0,0]=4 1636 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,0,0,0,0,0|3,0,0]=4 1637 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,0,0,0,0,0|3,0,0]=4 1638 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,0,0,0,0,0|3,0,0]=4 1639 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,0,0,0,0,0|3,0,0]=4 1640 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [1,0,0,0,0,0|2,0,0]=3 1641 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,0,0,0,0,0|3,0,0]=4 1642 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,0,0,0,0,0|3,0,0]=4 1643 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,0,0,0,0,0|2,0,0]=3 1644 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,0,0,0,0,0|2,0,0]=3 1645 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,0,0,0,0,0|2,0,0]=3 1646 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,0,0,0,0,0|2,0,0]=3 1647 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,1]=4 1648 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,2]=4 1649 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,2]=4 1650 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,2]=4 1651 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,2]=4 1652 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|2,0,0]=3 1653 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|2,0,0]=3 1654 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|1,0,0]=2 1655 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|1,0,0]=2 1656 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|3,0,0]=4 1657 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,0,0,0,0,0|3,0,0]=4 1658 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,0,0,0,0,0|3,0,0]=4 1659 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,0,0,0,0,0|3,0,0]=4 1660 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,0,0,0,0,0|3,0,0]=4 1661 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,0,0,0,0,0|3,0,0]=4 1662 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,0,0,0,0,0|3,0,0]=4 1663 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,0,0,0,0,0|3,0,0]=4 1664 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,0,0,0,0,0|3,0,0]=4 1665 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,0,0,0,0,0|3,0,0]=4 1666 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,0,0,0,0,0|3,0,0]=4 1667 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,0,0,0,0,0|3,0,0]=4 1668 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,0,0,0,0,0|3,0,0]=4 1669 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,0,0,0,0,0|3,0,0]=4 1670 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,0,0,0,0,0|3,0,0]=4 1671 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,0,0,0,0,0|2,0,0]=3 1672 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,0,0,0,0,0|2,0,0]=3 1673 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [1,0,0,0,0,0|3,0,0]=4 1674 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,0,0,0,0,0|3,0,0]=4 1675 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [1,0,0,0,0,0|3,0,0]=4 1676 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [1,0,0,0,0,0|3,0,0]=4 1677 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [1,0,0,0,0,0|3,0,0]=4 1678 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,0,0,0,0,0|3,0,0]=4 1679 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,0,0,0,0,0|3,0,0]=4 1680 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,0,0,0,0,0|2,0,0]=3 1681 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,0,0,0,0,0|2,0,0]=3 1682 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,0,0,0,0,0|2,0,0]=3 1683 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,0,0,0,0,0|2,0,0]=3 1684 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [1,0,0,0,0,0|3,0,0]=4 1685 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,0,0,0,0,0|3,0,0]=4 1686 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [1,0,0,0,0,0|3,0,0]=4 1687 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [1,0,0,0,0,0|3,0,0]=4 1688 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,0,0,0,0,0|3,0,0]=4 1689 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,0,0,0,0,0|2,0,0]=3 1690 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,0,0,0,0|2,0,0]=3 1691 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,0,0,0,0|2,0,0]=3 1692 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,0,0,0,0,0|2,0,0]=3 1693 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,0,0,0,0,0|2,0,0]=3 1694 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [1,0,0,0,0,0|2,0,1]=4 1695 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [1,0,0,0,0,0|2,0,1]=4 1696 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,0,0,0,0,0|2,0,1]=4 1697 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,0,0,0,0,0|2,0,1]=4 1698 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,0,0,0,0,0|2,0,0]=3 1699 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,0,0,0,0,0|2,0,0]=3 1700 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,0,0,0,0,0|2,0,0]=3 1701 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,0,0,0,0,0|2,0,0]=3 1702 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,2]=4 1703 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,1,0,0,0,0|2,0,1]=4 1704 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,1,0,0,0,0|2,0,1]=4 1705 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,1,0,0,0,0|2,0,1]=4 1706 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,1,0,0,0,0|2,0,1]=4 1709 B9R0.1 C=C(C)CNCC(O)CC 2230a_100011218483_100000748629 [0,1,0,0,0,0|1,0,1]=3 1710 B9R0.1 C=C(C)CNC[C@H](O)CO 2230a_100020644852_100000748629 [0,1,0,0,0,0|2,0,1]=4 1711 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,1,0,0,0,0|2,0,1]=4 1712 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,1,0,0,0,0|1,0,1]=3 1713 B9R0.1 C=C(C)COCC(O)CO 34a_100000210245_100011219619 [0,1,0,0,0,0|2,0,1]=4 1714 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,1,0,0,0,0|2,0,1]=4 1716 B9R0.1 C=C(C)COC[C@@H](O)CF 34a_100000210245_100015614560 [0,1,0,0,0,0|2,0,1]=4 1717 B9R0.1 C=C(C)COC[C@@H](O)CO 34a_100000210245_100009815848 [0,1,0,0,0,0|2,0,1]=4 1718 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,1,0,0,0,0|2,0,1]=4 1719 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,1,0,0,0,0|2,0,1]=4 1720 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,1,0,0,0,0|1,0,1]=3 1721 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,1,0,0,0,0|1,0,1]=3 1722 B9R0.1 C=C(C)CSCC(O)CO 62a_100000748629_100011219619 [0,1,0,0,0,0|2,0,1]=4 1723 B9R0.1 C=C(C)CSCC(O)CO 62a_100011219619_100000211660 [0,1,0,0,0,0|2,0,1]=4 1724 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,1,0,0,0,0|2,0,1]=4 1725 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,1,0,0,0,0|2,0,1]=4 1726 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100000748629_100015614560 [0,1,0,0,0,0|2,0,1]=4 1727 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100015614560_100000211660 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100000748629_100009815848 [0,1,0,0,0,0|2,0,1]=4 1729 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100009815848_100000211660 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.1 C=C(F)CNCC(O)CC 2230a_100011218483_100009893438 [0,1,0,0,0,0|1,0,2]=4 1731 B9R0.1 C=C(F)COCC(O)CC 34a_200010262243_100011218378 [0,1,0,0,0,0|1,0,2]=4 1732 B9R0.1 C=C(F)CSCC(O)CC 62a_100000042424_100011218378 [0,1,0,0,0,0|1,0,2]=4 1733 B9R0.1 C=C(F)CSCC(O)CC 62a_100011218378_100000042424 [0,1,0,0,0,0|1,0,2]=4 1734 B9R0.1 C=CC(O)CNCC(C)C 2230a_100000210953_100000730141 [0,1,0,0,0,0|1,0,2]=4 1735 B9R0.1 C=CC(O)CNCC(C)C 34a_100000210953_100000730141 [0,1,0,0,0,0|1,0,2]=4 1736 B9R0.1 C=CC(O)CNCC(C)O 2230a_100000210904_100000730141 [0,1,0,0,0,0|1,0,2]=4 1737 B9R0.1 C=CC(O)CNCC(C)O 34a_100000210904_100000730141 [0,1,0,0,0,0|1,0,2]=4 1738 B9R0.1 C=CC(O)COCC(C)Br 34a_100012180447_100000730141 [0,1,0,0,0,0|1,0,2]=4 1739 B9R0.1 C=CC(O)COCC(C)C 34a_100000210257_100000730141 [0,1,0,0,0,0|1,0,2]=4 1740 B9R0.1 C=CC(O)COCC(C)F 34a_100015925927_100000730141 [0,1,0,0,0,0|1,0,2]=4 1741 B9R0.1 C=CC(O)COC[C@@H](C)Cl 34a_100016084084_100000730141 [0,1,0,0,0,0|1,0,2]=4 1742 B9R0.1 C=CC(O)COC[C@@H](C)N 34a_100000737577_100000730141 [0,1,0,0,0,0|1,0,2]=4 1743 B9R0.1 C=CC(O)CSCC(C)C 62a_100000210624_100000730141 [0,1,0,0,0,0|1,0,2]=4 1744 B9R0.1 C=CC(O)CSCC(C)C 62a_100000730141_100000210760 [0,1,0,0,0,0|1,0,2]=4 1745 B9R0.1 C=CC(O)CSCC(C)O 62a_100000730141_100011218427 [0,1,0,0,0,0|1,0,2]=4 1746 B9R0.1 C=CC(O)CSCC(C)O 62a_100011218427_100000730141 [0,1,0,0,0,0|1,0,2]=4 1747 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100000730141_100009817552 [0,1,0,0,0,0|1,0,2]=4 1748 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100009817552_100000730141 [0,1,0,0,0,0|1,0,2]=4 1749 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,0|2,0,1]=4 1750 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,0|2,0,1]=4 1751 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,0|2,0,1]=4 1752 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [0,1,0,0,0,0|3,0,0]=4 1753 B9R0.1 CC(Br)COCC(O)CO 34a_100012180447_100011219619 [0,1,0,0,0,0|2,0,0]=3 1754 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [0,1,0,0,0,0|3,0,0]=4 1755 B9R0.1 CC(Br)COC[C@@H](O)CF 34a_100012180447_100015614560 [0,1,0,0,0,0|2,0,0]=3 1756 B9R0.1 CC(Br)COC[C@@H](O)CO 34a_100012180447_100009815848 [0,1,0,0,0,0|2,0,0]=3 1757 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,0|1,0,2]=4 1758 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,0|1,0,2]=4 1759 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,1,0,0,0,0|2,0,0]=3 1760 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,0|2,0,0]=3 1761 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,0|2,0,0]=3 1762 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [0,1,0,0,0,0|3,0,0]=4 1763 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [0,1,0,0,0,0|3,0,0]=4 1764 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [0,1,0,0,0,0|3,0,0]=4 1765 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,1,0,0,0,0|3,0,0]=4 1766 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,1,0,0,0,0|3,0,0]=4 1767 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,1,0,0,0,0|3,0,0]=4 1768 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,1,0,0,0,0|3,0,0]=4 1769 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,1,0,0,0,0|3,0,0]=4 1770 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,1,0,0,0,0|3,0,0]=4 1771 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,1,0,0,0,0|3,0,0]=4 1772 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,1,0,0,0,0|3,0,0]=4 1773 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [0,1,0,0,0,0|3,0,0]=4 1774 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [0,1,0,0,0,0|2,0,0]=3 1775 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [0,1,0,0,0,0|2,0,0]=3 1776 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [0,1,0,0,0,0|3,0,0]=4 1777 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [0,1,0,0,0,0|3,0,0]=4 1778 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [0,1,0,0,0,0|3,0,0]=4 1779 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [0,1,0,0,0,0|3,0,0]=4 1780 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [0,1,0,0,0,0|2,0,0]=3 1781 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [0,1,0,0,0,0|2,0,0]=3 1782 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [0,1,0,0,0,0|2,0,0]=3 1783 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [0,1,0,0,0,0|2,0,0]=3 1784 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [0,1,0,0,0,0|2,0,0]=3 1785 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [0,1,0,0,0,0|3,0,0]=4 1786 B9R0.1 CC(C)COCC(Cl)CCl 34a_100000033668_100000210624 [0,1,0,0,0,0|3,0,0]=4 1787 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,1,0,0,0,0|2,0,0]=3 1788 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,1,0,0,0,0|3,0,0]=4 1789 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [0,1,0,0,0,0|2,0,0]=3 1790 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,1,0,0,0,0|2,0,0]=3 1791 B9R0.1 CC(C)COC[C@H](F)CN 34a_100015665980_100000210624 [0,1,0,0,0,0|3,0,0]=4 1792 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,1,0,0,0,0|2,0,0]=3 1793 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,1,0,0,0,0|2,0,0]=3 1794 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,1,0,0,0,0|3,0,0]=4 1795 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,1,0,0,0,0|3,0,0]=4 1796 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [0,1,0,0,0,0|2,0,0]=3 1797 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [0,1,0,0,0,0|2,0,0]=3 1798 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,1,0,0,0,0|2,0,0]=3 1799 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,1,0,0,0,0|2,0,0]=3 1800 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,0|3,0,0]=4 1801 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,1,0,0,0,0|3,0,0]=4 1802 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,1,0,0,0,0|3,0,0]=4 1803 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,0|3,0,0]=4 1804 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [0,1,0,0,0,0|3,0,0]=4 1805 B9R0.1 CC(F)COCC(O)CO 34a_100015925927_100011219619 [0,1,0,0,0,0|2,0,0]=3 1806 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [0,1,0,0,0,0|3,0,0]=4 1807 B9R0.1 CC(F)COC[C@@H](O)CF 34a_100015925927_100015614560 [0,1,0,0,0,0|2,0,0]=3 1808 B9R0.1 CC(F)COC[C@@H](O)CO 34a_100015925927_100009815848 [0,1,0,0,0,0|2,0,0]=3 1809 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,0|1,0,2]=4 1810 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [0,1,0,0,0,0|3,0,0]=4 1811 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [0,1,0,0,0,0|3,0,0]=4 1812 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [0,1,0,0,0,0|3,0,0]=4 1813 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [0,1,0,0,0,0|3,0,0]=4 1814 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,1,0,0,0,0|3,0,0]=4 1815 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,1,0,0,0,0|3,0,0]=4 1816 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,1,0,0,0,0|3,0,0]=4 1817 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,1,0,0,0,0|3,0,0]=4 1818 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,1,0,0,0,0|3,0,0]=4 1819 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [0,1,0,0,0,0|2,0,0]=3 1820 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [0,1,0,0,0,0|2,0,0]=3 1821 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,1,0,0,0,0|3,0,0]=4 1822 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,1,0,0,0,0|3,0,0]=4 1823 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [0,1,0,0,0,0|3,0,0]=4 1824 B9R0.1 CC(O)CNC[C@@H](O)CF 2230a_100000210904_100015614560 [0,1,0,0,0,0|2,0,0]=3 1825 B9R0.1 CC(O)CNC[C@@H](O)CF 34a_100000210904_100015614560 [0,1,0,0,0,0|2,0,0]=3 1826 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [0,1,0,0,0,0|2,0,0]=3 1827 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [0,1,0,0,0,0|2,0,0]=3 1828 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [0,1,0,0,0,0|2,0,0]=3 1829 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [0,1,0,0,0,0|3,0,0]=4 1830 B9R0.1 CC(O)COCC(Cl)CCl 34a_100000033668_100011218427 [0,1,0,0,0,0|3,0,0]=4 1831 B9R0.1 CC(O)COC[C@H](F)CN 34a_100015665980_100011218427 [0,1,0,0,0,0|3,0,0]=4 1832 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,1,0,0,0,0|2,0,0]=3 1833 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,1,0,0,0,0|2,0,0]=3 1834 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,1,0,0,0,0|3,0,0]=4 1835 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,1,0,0,0,0|3,0,0]=4 1836 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [0,1,0,0,0,0|2,0,0]=3 1837 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [0,1,0,0,0,0|2,0,0]=3 1838 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,1,0,0,0,0|2,0,0]=3 1839 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,1,0,0,0,0|2,0,0]=3 1840 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|0,0,3]=4 1841 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|0,0,2]=3 1842 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|0,0,2]=3 1843 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|0,0,2]=3 1844 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,0|1,0,2]=4 1845 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,0|1,0,2]=4 1846 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,0|1,0,2]=4 1847 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,0|1,0,2]=4 1848 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,0|1,0,2]=4 1849 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,0|1,0,2]=4 1850 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,0|1,0,2]=4 1851 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,0|1,0,2]=4 1852 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,0|1,0,2]=4 1853 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,0|1,0,2]=4 1854 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,0|1,0,2]=4 1855 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,0|1,0,2]=4 1856 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,0|1,0,2]=4 1857 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 1858 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 1859 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 1860 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 1861 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,0|1,0,2]=4 1862 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,0|1,0,2]=4 1863 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|2,0,1]=4 1864 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|2,0,1]=4 1865 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|2,0,1]=4 1866 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|2,0,1]=4 1867 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,1,0,0,0,0|2,0,0]=3 1868 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,1,0,0,0,0|2,0,0]=3 1869 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,1,0,0,0,0|2,0,0]=3 1870 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,1,0,0,0,0|2,0,0]=3 1871 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,1,0,0,0,0|2,0,0]=3 1872 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,1,0,0,0,0|2,0,0]=3 1873 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,1,0,0,0,0|2,0,0]=3 1874 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,1,0,0,0,0|2,0,0]=3 1875 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,1,0,0,0,0|2,0,0]=3 1876 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,1,0,0,0,0|2,0,0]=3 1877 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,1,0,0,0,0|2,0,0]=3 1878 B9R0.1 CCC(C)CNCC(F)F 2230a_100020588543_100011934356 [0,1,0,0,0,0|3,0,0]=4 1879 B9R0.1 CCC(C)CNCC(F)F 270004a_100000765723_100000243153 [0,1,0,0,0,0|3,0,0]=4 1880 B9R0.1 CCC(C)CNCC(F)F 34a_100000765723_100000748023 [0,1,0,0,0,0|3,0,0]=4 1881 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,1,0,0,0,0|2,0,0]=3 1882 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,0|2,0,1]=4 1883 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [0,1,0,0,0,0|2,0,0]=3 1884 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,1,0,0,0,0|2,0,0]=3 1885 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [0,1,0,0,0,0|2,0,0]=3 1886 B9R0.1 CCC(C)COCC(F)F 34a_100000743014_100000748023 [0,1,0,0,0,0|3,0,0]=4 1887 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [0,1,0,0,0,0|2,0,0]=3 1888 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [0,1,0,0,0,0|2,0,0]=3 1889 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,1,0,0,0,0|2,0,0]=3 1890 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,1,0,0,0,0|2,0,0]=3 1891 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,1,0,0,0,0|2,0,0]=3 1892 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,1,0,0,0,0|2,0,0]=3 1893 B9R0.1 CCC(C)CSCC(F)F 62a_100000748023_100011934356 [0,1,0,0,0,0|3,0,0]=4 1894 B9R0.1 CCC(C)CSCC(F)F 62a_100011934356_100000748023 [0,1,0,0,0,0|3,0,0]=4 1895 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,1,0,0,0,0|2,0,0]=3 1896 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,1,0,0,0,0|2,0,0]=3 1897 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,1,0,0,0,0|2,0,0]=3 1898 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,1,0,0,0,0|2,0,0]=3 1899 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,1,0,0,0,0|2,0,0]=3 1900 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,1,0,0,0,0|2,0,0]=3 1901 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [0,1,0,0,0,0|3,0,0]=4 1902 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,0|2,0,1]=4 1903 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,0|2,0,1]=4 1904 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,0|2,0,1]=4 1905 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,1,0,0,0,0|2,0,0]=3 1906 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,1,0,0,0,0|2,0,0]=3 1907 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,1,0,0,0,0|2,0,0]=3 1908 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,1,0,0,0,0|2,0,0]=3 1909 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,0,0,0,0|2,0,0]=3 1910 B9R0.1 CCC(C)OCCC(F)F 34a_100103093639_100011215416 [0,1,0,0,0,0|3,0,0]=4 1911 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [0,1,0,0,0,0|3,0,0]=4 1912 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,1,0,0,0,0|2,0,0]=3 1913 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,0|2,0,1]=4 1914 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,0|2,0,1]=4 1915 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,1,0,0,0,0|2,0,0]=3 1916 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,1,0,0,0,0|2,0,0]=3 1917 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,1,0,0,0,0|2,0,0]=3 1918 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,1,0,0,0,0|2,0,0]=3 1919 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [0,1,0,0,0,0|3,0,0]=4 1920 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [0,1,0,0,0,0|3,0,0]=4 1921 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [0,1,0,0,0,0|3,0,0]=4 1922 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,1,0,0,0,0|2,0,1]=4 1923 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,1,0,0,0,0|2,0,1]=4 1924 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,0,0,0,0|2,0,1]=4 1925 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,1,0,0,0,0|1,0,0]=2 1926 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,1,0,0,0,0|1,0,0]=2 1927 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,1,0,0,0,0|1,0,0]=2 1928 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,1,0,0,0,0|1,0,0]=2 1929 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,1,0,0,0,0|1,0,0]=2 1930 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,1,0,0,0,0|1,0,0]=2 1931 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,1,0,0,0,0|1,0,0]=2 1932 B9R0.1 CCC(O)CNCC(F)F 2230a_100011218483_100011934356 [0,1,0,0,0,0|2,0,0]=3 1933 B9R0.1 CCC(O)CNCC(F)F 34a_100000765723_100011218378 [0,1,0,0,0,0|2,0,0]=3 1934 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,1,0,0,0,0|1,0,0]=2 1935 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,1,0,0,0,0|2,0,1]=4 1936 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,0|1,0,1]=3 1937 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,1,0,0,0,0|1,0,0]=2 1938 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,1,0,0,0,0|1,0,0]=2 1939 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,1,0,0,0,0|1,0,0]=2 1940 B9R0.1 CCC(O)COCC(F)F 34a_100000743014_100011218378 [0,1,0,0,0,0|2,0,0]=3 1941 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,1,0,0,0,0|1,0,0]=2 1942 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,1,0,0,0,0|1,0,0]=2 1943 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,1,0,0,0,0|2,0,1]=4 1944 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,1,0,0,0,0|2,0,1]=4 1945 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,1,0,0,0,0|2,0,1]=4 1946 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,1,0,0,0,0|2,0,1]=4 1947 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,1,0,0,0,0|1,0,0]=2 1948 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,1,0,0,0,0|1,0,0]=2 1949 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,1,0,0,0,0|1,0,0]=2 1950 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,1,0,0,0,0|1,0,0]=2 1951 B9R0.1 CCC(O)CSCC(F)F 62a_100011218378_100011934356 [0,1,0,0,0,0|2,0,0]=3 1952 B9R0.1 CCC(O)CSCC(F)F 62a_100011934356_100011218378 [0,1,0,0,0,0|2,0,0]=3 1953 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,1,0,0,0,0|1,0,0]=2 1954 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,1,0,0,0,0|1,0,0]=2 1955 B9R0.1 CCC(O)CSC[N+](=O)[O-] 62a_100011218378_100000761209 [0,1,0,0,0,0|3,0,0]=4 1956 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|2,0,1]=4 1957 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|2,0,1]=4 1958 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,1,0,0,0,0|2,0,0]=3 1959 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,1,0,0,0,0|2,0,0]=3 1960 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,1,0,0,0,0|2,0,0]=3 1961 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,1,0,0,0,0|2,0,0]=3 1962 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [0,1,0,0,0,0|3,0,0]=4 1963 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [0,1,0,0,0,0|3,0,0]=4 1964 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [0,1,0,0,0,0|3,0,0]=4 1965 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [0,1,0,0,0,0|3,0,0]=4 1966 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [0,1,0,0,0,0|3,0,0]=4 1967 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [0,1,0,0,0,0|3,0,0]=4 1968 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [0,1,0,0,0,0|3,0,0]=4 1969 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [0,1,0,0,0,0|3,0,0]=4 1970 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [0,1,0,0,0,0|3,0,0]=4 1971 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [0,1,0,0,0,0|3,0,0]=4 1972 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,1,0,0,0,0|2,0,0]=3 1973 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,1,0,0,0,0|2,0,0]=3 1974 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,1,0,0,0,0|2,0,0]=3 1975 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,1,0,0,0,0|2,0,0]=3 1976 B9R0.1 CC[C@H](C)CNCC(F)F 34a_100000765723_100009816398 [0,1,0,0,0,0|3,0,0]=4 1977 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,0|2,0,1]=4 1978 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [0,1,0,0,0,0|2,0,0]=3 1979 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,1,0,0,0,0|2,0,0]=3 1980 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,1,0,0,0,0|2,0,0]=3 1981 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [0,1,0,0,0,0|2,0,0]=3 1982 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,1,0,0,0,0|2,0,0]=3 1983 B9R0.1 CC[C@H](C)COCC(F)F 34a_100000743014_100009816398 [0,1,0,0,0,0|3,0,0]=4 1984 B9R0.1 CC[C@H](C)COCC(F)F 7a_100009816381_100011934356 [0,1,0,0,0,0|3,0,0]=4 1985 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [0,1,0,0,0,0|2,0,0]=3 1986 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [0,1,0,0,0,0|2,0,0]=3 1987 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,1,0,0,0,0|2,0,0]=3 1988 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,1,0,0,0,0|2,0,0]=3 1989 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,1,0,0,0,0|2,0,0]=3 1990 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,1,0,0,0,0|2,0,0]=3 1991 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,1,0,0,0,0|2,0,0]=3 1992 B9R0.1 CC[C@H](C)CSCC(F)F 62a_100009816398_100011934356 [0,1,0,0,0,0|3,0,0]=4 1993 B9R0.1 CC[C@H](C)CSCC(F)F 62a_100011934356_100009816398 [0,1,0,0,0,0|3,0,0]=4 1994 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,1,0,0,0,0|2,0,0]=3 1995 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,1,0,0,0,0|2,0,0]=3 1996 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|1,0,2]=4 1997 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|1,0,2]=4 1998 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|1,0,2]=4 1999 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|1,0,2]=4 2000 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,0|1,0,2]=4 2001 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,0|1,0,2]=4 2002 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,1,0,0,0,0|2,0,0]=3 2003 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,1,0,0,0,0|2,0,0]=3 2004 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,1,0,0,0,0|3,0,0]=4 2005 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,0|2,0,0]=3 2006 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,0|2,0,0]=3 2007 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,1,0,0,0,0|3,0,0]=4 2008 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,1,0,0,0,0|3,0,0]=4 2009 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [0,1,0,0,0,0|3,0,0]=4 2010 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [0,1,0,0,0,0|3,0,0]=4 2011 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,1,0,0,0,0|3,0,0]=4 2012 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,1,0,0,0,0|3,0,0]=4 2013 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [0,1,0,0,0,0|3,0,0]=4 2014 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [0,1,0,0,0,0|3,0,0]=4 2015 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [0,1,0,0,0,0|3,0,0]=4 2016 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [0,1,0,0,0,0|3,0,0]=4 2017 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [0,1,0,0,0,0|3,0,0]=4 2018 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [0,1,0,0,0,0|3,0,0]=4 2019 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [0,1,0,0,0,0|3,0,0]=4 2020 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [0,1,0,0,0,0|3,0,0]=4 2021 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,1,0,0,0,0|3,0,0]=4 2022 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,1,0,0,0,0|3,0,0]=4 2023 B9R0.1 C[C@@H](Cl)COCC(O)CO 34a_100016084084_100011219619 [0,1,0,0,0,0|2,0,0]=3 2024 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CF 34a_100016084084_100015614560 [0,1,0,0,0,0|2,0,0]=3 2025 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CO 34a_100016084084_100009815848 [0,1,0,0,0,0|2,0,0]=3 2026 B9R0.1 C[C@@H](N)COCC(O)CO 34a_100000737577_100011219619 [0,1,0,0,0,0|2,0,0]=3 2027 B9R0.1 C[C@@H](N)COC[C@@H](O)CF 34a_100000737577_100015614560 [0,1,0,0,0,0|2,0,0]=3 2028 B9R0.1 C[C@@H](N)COC[C@@H](O)CO 34a_100000737577_100009815848 [0,1,0,0,0,0|2,0,0]=3 2029 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [0,1,0,0,0,0|3,0,0]=4 2030 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [0,1,0,0,0,0|2,0,0]=3 2031 B9R0.1 C[C@@H](O)COCC(Cl)CCl 34a_100000033668_100009817552 [0,1,0,0,0,0|3,0,0]=4 2032 B9R0.1 C[C@@H](O)COC[C@H](F)CN 34a_100015665980_100009817552 [0,1,0,0,0,0|3,0,0]=4 2033 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,1,0,0,0,0|2,0,0]=3 2034 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,1,0,0,0,0|2,0,0]=3 2035 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [0,1,0,0,0,0|2,0,0]=3 2036 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [0,1,0,0,0,0|2,0,0]=3 2037 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,1,0,0,0,0|2,0,0]=3 2038 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,1,0,0,0,0|2,0,0]=3 2039 B9R0.1 OCC(O)CNCC(F)F 34a_100000765723_100011219619 [0,1,0,0,0,0|3,0,0]=4 2040 B9R0.1 OCC(O)COCC(F)F 34a_100000743014_100011219619 [0,1,0,0,0,0|3,0,0]=4 2041 B9R0.1 OCC(O)CSCC(F)F 62a_100011219619_100011934356 [0,1,0,0,0,0|3,0,0]=4 2042 B9R0.1 OCC(O)CSCC(F)F 62a_100011934356_100011219619 [0,1,0,0,0,0|3,0,0]=4 2043 B9R0.1 OC[C@@H](O)CNCC(F)F 2230a_100020644852_100011934356 [0,1,0,0,0,0|3,0,0]=4 2044 B9R0.1 OC[C@H](O)CNCC(F)F 34a_100000765723_100009815848 [0,1,0,0,0,0|3,0,0]=4 2045 B9R0.1 OC[C@H](O)COCC(F)F 34a_100000743014_100009815848 [0,1,0,0,0,0|3,0,0]=4 2046 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100009815848_100011934356 [0,1,0,0,0,0|3,0,0]=4 2047 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100011934356_100009815848 [0,1,0,0,0,0|3,0,0]=4 2048 B9R0.1 O[C@@H](CF)CNCC(F)F 34a_100000765723_100015614560 [0,1,0,0,0,0|3,0,0]=4 2049 B9R0.1 O[C@@H](CF)COCC(F)F 34a_100000743014_100015614560 [0,1,0,0,0,0|3,0,0]=4 2050 B9R0.1 O[C@@H](CF)CSCC(F)F 62a_100011934356_100015614560 [0,1,0,0,0,0|3,0,0]=4 2051 B9R0.1 O[C@@H](CF)CSCC(F)F 62a_100015614560_100011934356 [0,1,0,0,0,0|3,0,0]=4 2052 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,1,0,0,0,0|0,0,3]=4 2053 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,1,0,0,0,0|0,0,3]=4 2054 B9R0.5 C#CCC(C)OCCCC 34a_100000685586_100000210210 [0,1,0,0,0,0|2,0,1]=4 2055 B9R0.5 C#CCC(C)OCCCC 7a_100000685586_100000210211 [0,1,0,0,0,0|2,0,1]=4 2056 B9R0.5 C#CCN(C)CCCCC 2230a_100000223495_100000038162 [0,1,0,0,0,0|2,0,1]=4 2057 B9R0.5 C#CCN(C)CCCCC 2230a_100000225692_100000210326 [0,1,0,0,0,0|2,0,1]=4 2058 B9R0.5 C#CCN(C)CCCCC 34a_100000225692_100000718602 [0,1,0,0,0,0|2,0,1]=4 2059 B9R0.5 C#CCNCC(O)COC 2230a_100000756049_100000038162 [0,1,0,0,0,0|1,0,2]=4 2060 B9R0.5 C#CCNCC(O)COC 34a_100000212058_100011215053 [0,1,0,0,0,0|1,0,2]=4 2061 B9R0.5 C#CCNCC(O)COC 34a_100000756049_100000184674 [0,1,0,0,0,0|1,0,2]=4 2062 B9R0.5 C#CCOCC(O)COC 34a_100000210247_100011215053 [0,1,0,0,0,0|1,0,2]=4 2063 B9R0.5 C#CCSCC(O)COC 62a_100000038162_100011215053 [0,1,0,0,0,0|1,0,2]=4 2064 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,1,0,0,0,0|2,0,1]=4 2065 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|0,0,3]=4 2066 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|0,0,3]=4 2067 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [0,1,0,0,0,0|2,0,1]=4 2068 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [0,1,0,0,0,0|2,0,1]=4 2069 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [0,1,0,0,0,0|2,0,1]=4 2070 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [0,1,0,0,0,0|2,0,1]=4 2071 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [0,1,0,0,0,0|2,0,1]=4 2072 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [0,1,0,0,0,0|2,0,1]=4 2073 B9R0.5 C=CCNCC(O)COC 2230a_100000756049_100000210623 [0,1,0,0,0,0|1,0,2]=4 2074 B9R0.5 C=CCNCC(O)COC 34a_100000756049_100015514636 [0,1,0,0,0,0|1,0,2]=4 2075 B9R0.5 C=CCOCC(O)COC 34a_200000210373_100011215053 [0,1,0,0,0,0|1,0,2]=4 2076 B9R0.5 C=CCSCC(O)COC 62a_100000210623_100011215053 [0,1,0,0,0,0|1,0,2]=4 2077 B9R0.5 C=CCSCC(O)COC 62a_100011215053_100000210623 [0,1,0,0,0,0|1,0,2]=4 2078 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,1,0,0,0,0|2,0,1]=4 2079 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,1,0,0,0,0|2,0,1]=4 2080 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [0,1,0,0,0,0|2,0,1]=4 2081 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,1,0,0,0,0|0,0,3]=4 2082 B9R0.5 CC#CC(C)OCCCC 34a_100011216543_100000210210 [0,1,0,0,0,0|2,0,1]=4 2083 B9R0.5 CC(CCBr)OCCCF 34a_100012276601_100011934791 [0,1,0,0,0,0|3,0,0]=4 2084 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [0,1,0,0,0,0|3,0,0]=4 2085 B9R0.5 CC(CCN)COCCF 34a_106354213184_100011217306 [0,1,0,0,0,0|3,0,0]=4 2086 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [0,1,0,0,0,0|3,0,0]=4 2087 B9R0.5 CC(CCO)NCCCF 2230a_100015189416_100009893172 [0,1,0,0,0,0|3,0,0]=4 2088 B9R0.5 CC(CCO)NCCCF 34a_100015189416_100009893172 [0,1,0,0,0,0|3,0,0]=4 2089 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [0,1,0,0,0,0|3,0,0]=4 2090 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [0,1,0,0,0,0|3,0,0]=4 2091 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [0,1,0,0,0,0|3,0,0]=4 2092 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [0,1,0,0,0,0|3,0,0]=4 2093 B9R0.5 CC(CCO)SCCCF 62a_100009893172_100011934791 [0,1,0,0,0,0|3,0,0]=4 2094 B9R0.5 CC(CCO)SCCCF 62a_100011934791_100009893172 [0,1,0,0,0,0|3,0,0]=4 2095 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [0,1,0,0,0,0|3,0,0]=4 2096 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [0,1,0,0,0,0|3,0,0]=4 2097 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|0,0,3]=4 2098 B9R0.5 CC=NNCC(O)CSC 4a_200000122717_200000210099 [0,1,0,0,0,0|2,0,1]=4 2099 B9R0.5 CCC#CCC(C)OCC 34a_200000035118_100000210202 [0,1,0,0,0,0|1,0,2]=4 2100 B9R0.5 CCC#CCC(C)OCC 7a_200000035118_100000210202 [0,1,0,0,0,0|1,0,2]=4 2101 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|1,0,2]=4 2102 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|1,0,2]=4 2103 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|1,0,2]=4 2104 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|1,0,2]=4 2105 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|1,0,2]=4 2106 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|1,0,2]=4 2107 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|1,0,2]=4 2108 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|1,0,2]=4 2109 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|1,0,2]=4 2110 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|1,0,2]=4 2111 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,1,0,0,0,0|2,0,0]=3 2112 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,1,0,0,0,0|2,0,0]=3 2113 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,1,0,0,0,0|2,0,0]=3 2114 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,1,0,0,0,0|2,0,0]=3 2115 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,1,0,0,0,0|2,0,0]=3 2116 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,1,0,0,0,0|2,0,0]=3 2117 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [0,1,0,0,0,0|3,0,0]=4 2118 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [0,1,0,0,0,0|3,0,0]=4 2119 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [0,1,0,0,0,0|3,0,0]=4 2120 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [0,1,0,0,0,0|3,0,0]=4 2121 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [0,1,0,0,0,0|3,0,0]=4 2122 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [0,1,0,0,0,0|3,0,0]=4 2123 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [0,1,0,0,0,0|3,0,0]=4 2124 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [0,1,0,0,0,0|3,0,0]=4 2125 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [0,1,0,0,0,0|3,0,0]=4 2126 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [0,1,0,0,0,0|3,0,0]=4 2127 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [0,1,0,0,0,0|3,0,0]=4 2128 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [0,1,0,0,0,0|3,0,0]=4 2129 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [0,1,0,0,0,0|3,0,0]=4 2130 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [0,1,0,0,0,0|3,0,0]=4 2131 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [0,1,0,0,0,0|3,0,0]=4 2132 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [0,1,0,0,0,0|3,0,0]=4 2133 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [0,1,0,0,0,0|3,0,0]=4 2134 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [0,1,0,0,0,0|3,0,0]=4 2135 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [0,1,0,0,0,0|3,0,0]=4 2136 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [0,1,0,0,0,0|3,0,0]=4 2137 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [0,1,0,0,0,0|3,0,0]=4 2138 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [0,1,0,0,0,0|3,0,0]=4 2139 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [0,1,0,0,0,0|3,0,0]=4 2140 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [0,1,0,0,0,0|3,0,0]=4 2141 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [0,1,0,0,0,0|3,0,0]=4 2142 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [0,1,0,0,0,0|3,0,0]=4 2143 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [0,1,0,0,0,0|3,0,0]=4 2144 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [0,1,0,0,0,0|3,0,0]=4 2145 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [0,1,0,0,0,0|3,0,0]=4 2146 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [0,1,0,0,0,0|3,0,0]=4 2147 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [0,1,0,0,0,0|3,0,0]=4 2148 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [0,1,0,0,0,0|3,0,0]=4 2149 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [0,1,0,0,0,0|3,0,0]=4 2150 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [0,1,0,0,0,0|3,0,0]=4 2151 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [0,1,0,0,0,0|3,0,0]=4 2152 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [0,1,0,0,0,0|3,0,0]=4 2153 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [0,1,0,0,0,0|3,0,0]=4 2154 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [0,1,0,0,0,0|3,0,0]=4 2155 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [0,1,0,0,0,0|3,0,0]=4 2156 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,1,0,0,0,0|3,0,0]=4 2157 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,1,0,0,0,0|3,0,0]=4 2158 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [0,1,0,0,0,0|3,0,0]=4 2159 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [0,1,0,0,0,0|3,0,0]=4 2160 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [0,1,0,0,0,0|3,0,0]=4 2161 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,1,0,0,0,0|3,0,0]=4 2162 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,1,0,0,0,0|3,0,0]=4 2163 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,1,0,0,0,0|3,0,0]=4 2164 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,1,0,0,0,0|3,0,0]=4 2165 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [0,1,0,0,0,0|3,0,0]=4 2166 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [0,1,0,0,0,0|3,0,0]=4 2167 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [0,1,0,0,0,0|3,0,0]=4 2168 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [0,1,0,0,0,0|3,0,0]=4 2169 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [0,1,0,0,0,0|3,0,0]=4 2170 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [0,1,0,0,0,0|3,0,0]=4 2171 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [0,1,0,0,0,0|3,0,0]=4 2172 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [0,1,0,0,0,0|3,0,0]=4 2173 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [0,1,0,0,0,0|3,0,0]=4 2174 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [0,1,0,0,0,0|3,0,0]=4 2175 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,1,0,0,0,0|0,0,3]=4 2176 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,1,0,0,0,0|0,0,3]=4 2177 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|0,0,2]=3 2178 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|0,0,2]=3 2179 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|0,0,2]=3 2180 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|0,0,2]=3 2181 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|0,0,2]=3 2182 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|0,0,2]=3 2183 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|0,0,2]=3 2184 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|0,0,2]=3 2185 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|0,0,2]=3 2186 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|0,0,2]=3 2187 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|0,0,2]=3 2188 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|0,0,2]=3 2189 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|0,0,2]=3 2190 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|0,0,2]=3 2191 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|0,0,2]=3 2192 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|0,0,2]=3 2193 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|0,0,2]=3 2194 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|0,0,2]=3 2195 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,1,0,0,0,0|1,0,2]=4 2196 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,1,0,0,0,0|1,0,0]=2 2197 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,1,0,0,0,0|1,0,0]=2 2198 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,1,0,0,0,0|1,0,0]=2 2199 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,0,0,0,0|1,0,0]=2 2200 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,0,0,0,0|1,0,0]=2 2201 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,0,0,0,0|1,0,0]=2 2202 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,1,0,0,0,0|2,0,0]=3 2203 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,1,0,0,0,0|2,0,0]=3 2204 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,1,0,0,0,0|1,0,0]=2 2205 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,1,0,0,0,0|1,0,0]=2 2206 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,1,0,0,0,0|2,0,0]=3 2207 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,1,0,0,0,0|2,0,0]=3 2208 B9R0.5 CCCCCN(C)CC#N 2230a_100000223495_100011215382 [0,1,0,0,0,0|2,0,1]=4 2209 B9R0.5 CCCCCN(C)CC#N 2230a_100000748184_100000210326 [0,1,0,0,0,0|2,0,1]=4 2210 B9R0.5 CCCCCN(C)CC#N 269982a_100000223495_100011214920 [0,1,0,0,0,0|2,0,1]=4 2211 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [0,1,0,0,0,0|2,0,1]=4 2212 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [0,1,0,0,0,0|2,0,1]=4 2213 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,1,0,0,0,0|2,0,0]=3 2214 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,1,0,0,0,0|2,0,0]=3 2215 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,1,0,0,0,0|2,0,0]=3 2216 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,1,0,0,0,0|2,0,0]=3 2217 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,1,0,0,0,0|2,0,0]=3 2218 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,1,0,0,0,0|2,0,0]=3 2219 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [0,1,0,0,0,0|2,0,0]=3 2220 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [0,1,0,0,0,0|2,0,0]=3 2221 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,1,0,0,0,0|2,0,0]=3 2222 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,1,0,0,0,0|2,0,0]=3 2223 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,1,0,0,0,0|2,0,0]=3 2224 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,1,0,0,0,0|2,0,0]=3 2225 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,1,0,0,0,0|2,0,0]=3 2226 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,1,0,0,0,0|2,0,0]=3 2227 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,1,0,0,0,0|2,0,0]=3 2228 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,1,0,0,0,0|2,0,0]=3 2229 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [0,1,0,0,0,0|2,0,0]=3 2230 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [0,1,0,0,0,0|2,0,0]=3 2231 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,1,0,0,0,0|2,0,0]=3 2232 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,1,0,0,0,0|2,0,0]=3 2233 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,1,0,0,0,0|2,0,0]=3 2234 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,1,0,0,0,0|2,0,0]=3 2235 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 2236 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 2237 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 2238 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|1,0,2]=4 2239 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|1,0,2]=4 2240 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,1,0,0,0,0|1,0,2]=4 2241 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,1,0,0,0,0|1,0,2]=4 2242 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,1,0,0,0,0|1,0,2]=4 2243 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,0,0,0,0|1,0,2]=4 2244 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,0,0,0,0|1,0,2]=4 2245 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,0,0,0,0|1,0,2]=4 2246 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,0,0,0,0|1,0,2]=4 2247 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,0,0,0,0|1,0,2]=4 2248 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,1,0,0,0,0|1,0,2]=4 2249 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,1,0,0,0,0|1,0,2]=4 2250 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,1,0,0,0,0|1,0,2]=4 2251 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,1,0,0,0,0|1,0,2]=4 2252 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,1,0,0,0,0|1,0,2]=4 2253 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,1,0,0,0,0|1,0,2]=4 2254 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,1,0,0,0,0|1,0,2]=4 2255 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,1,0,0,0,0|1,0,2]=4 2256 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|1,0,2]=4 2257 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|1,0,2]=4 2258 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|1,0,2]=4 2259 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|1,0,2]=4 2260 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|1,0,2]=4 2261 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|1,0,2]=4 2262 B9R0.5 CCCCNC(C)CC#N 2230a_100000102301_100009813641 [0,1,0,0,0,0|2,0,1]=4 2263 B9R0.5 CCCCNC(C)CC#N 7a_106832991798_100009813641 [0,1,0,0,0,0|2,0,1]=4 2264 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,1,0,0,0,0|2,0,0]=3 2265 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,1,0,0,0,0|2,0,0]=3 2266 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,1,0,0,0,0|2,0,0]=3 2267 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,1,0,0,0,0|2,0,0]=3 2268 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [0,1,0,0,0,0|2,0,0]=3 2269 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [0,1,0,0,0,0|2,0,0]=3 2270 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,1,0,0,0,0|2,0,0]=3 2271 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,1,0,0,0,0|2,0,0]=3 2272 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,1,0,0,0,0|2,0,0]=3 2273 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [0,1,0,0,0,0|2,0,0]=3 2274 B9R0.5 CCCCN[C@@H](C)CC#N 2230a_100016994482_100000210211 [0,1,0,0,0,0|2,0,1]=4 2275 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [0,1,0,0,0,0|2,0,0]=3 2276 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [0,1,0,0,0,0|2,0,0]=3 2277 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,1,0,0,0,0|2,0,0]=3 2278 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,0,0,0,0|1,0,2]=4 2279 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,0,0,0,0|1,0,2]=4 2280 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,0,0,0,0|1,0,2]=4 2281 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,0,0,0,0|1,0,2]=4 2282 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,0,0,0,0|1,0,2]=4 2283 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,0,0,0,0|1,0,2]=4 2284 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,0,0,0,0|1,0,2]=4 2285 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,0,0,0,0|1,0,2]=4 2286 B9R0.5 CCCCOC(C)CC#N 7a_100000210227_100009813641 [0,1,0,0,0,0|2,0,1]=4 2287 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,1,0,0,0,0|2,0,0]=3 2288 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,1,0,0,0,0|2,0,0]=3 2289 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,1,0,0,0,0|2,0,0]=3 2290 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,1,0,0,0,0|2,0,0]=3 2291 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,1,0,0,0,0|2,0,0]=3 2292 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,1,0,0,0,0|2,0,0]=3 2293 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,1,0,0,0,0|2,0,0]=3 2294 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,1,0,0,0,0|2,0,0]=3 2295 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,1,0,0,0,0|2,0,0]=3 2296 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,1,0,0,0,0|2,0,0]=3 2297 B9R0.5 CCCCSC(C)CC#N 62a_100000210211_100009813641 [0,1,0,0,0,0|2,0,1]=4 2298 B9R0.5 CCCCSC(C)CC#N 62a_100009813641_100000210210 [0,1,0,0,0,0|2,0,1]=4 2299 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,1,0,0,0,0|2,0,0]=3 2300 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,1,0,0,0,0|2,0,0]=3 2301 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,1,0,0,0,0|2,0,0]=3 2302 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,1,0,0,0,0|2,0,0]=3 2303 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,1,0,0,0,0|2,0,0]=3 2304 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,1,0,0,0,0|2,0,0]=3 2305 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [0,1,0,0,0,0|3,0,0]=4 2306 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [0,1,0,0,0,0|3,0,0]=4 2307 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,1,0,0,0,0|3,0,0]=4 2308 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,1,0,0,0,0|3,0,0]=4 2309 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,1,0,0,0,0|3,0,0]=4 2310 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,1,0,0,0,0|3,0,0]=4 2311 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 2312 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 2313 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,1,0,0,0,0|3,0,0]=4 2314 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,1,0,0,0,0|3,0,0]=4 2315 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,1,0,0,0,0|3,0,0]=4 2316 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,1,0,0,0,0|3,0,0]=4 2317 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [0,1,0,0,0,0|3,0,0]=4 2318 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [0,1,0,0,0,0|3,0,0]=4 2319 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|1,0,2]=4 2320 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,1,0,0,0,0|2,0,0]=3 2321 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,1,0,0,0,0|1,0,0]=2 2322 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,1,0,0,0,0|1,0,0]=2 2323 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|1,0,2]=4 2324 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|1,0,2]=4 2325 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|1,0,2]=4 2326 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|1,0,2]=4 2327 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|1,0,2]=4 2328 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|1,0,2]=4 2329 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|1,0,2]=4 2330 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|1,0,2]=4 2331 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,1,0,0,0,0|2,0,0]=3 2332 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,1,0,0,0,0|2,0,0]=3 2333 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,1,0,0,0,0|2,0,0]=3 2334 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [0,1,0,0,0,0|2,0,0]=3 2335 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,1,0,0,0,0|2,0,0]=3 2336 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,0,0,0,0|1,0,0]=2 2337 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,1,0,0,0,0|2,0,0]=3 2338 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|1,0,2]=4 2339 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|1,0,2]=4 2340 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|1,0,2]=4 2341 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|1,0,2]=4 2342 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|1,0,2]=4 2343 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|1,0,2]=4 2344 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|1,0,2]=4 2345 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|1,0,2]=4 2346 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|1,0,2]=4 2347 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|1,0,2]=4 2348 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|1,0,2]=4 2349 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|1,0,2]=4 2350 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,1,0,0,0,0|2,0,0]=3 2351 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,1,0,0,0,0|2,0,0]=3 2352 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [0,1,0,0,0,0|2,0,0]=3 2353 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,1,0,0,0,0|1,0,0]=2 2354 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,1,0,0,0,0|1,0,0]=2 2355 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000001066_100000210303 [0,1,0,0,0,0|1,0,1]=3 2356 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000210303_100000001066 [0,1,0,0,0,0|1,0,1]=3 2357 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,1,0,0,0,0|2,0,0]=3 2358 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [0,1,0,0,0,0|3,0,0]=4 2359 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [0,1,0,0,0,0|3,0,0]=4 2360 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [0,1,0,0,0,0|3,0,0]=4 2361 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [0,1,0,0,0,0|3,0,0]=4 2362 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,0,0,0,0|1,0,2]=4 2363 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,0,0,0,0|1,0,2]=4 2364 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,0,0,0,0|1,0,2]=4 2365 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 2366 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 2367 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 2368 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,0,0,0,0|1,0,2]=4 2369 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,0,0,0,0|1,0,2]=4 2370 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,0,0,0,0|1,0,2]=4 2371 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 2372 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 2373 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 2374 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|1,0,2]=4 2375 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|1,0,2]=4 2376 B9R0.5 CCNC(C)CCCC#N 270004a_100015525214_200000032708 [0,1,0,0,0,0|2,0,1]=4 2377 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,1,0,0,0,0|2,0,0]=3 2378 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,1,0,0,0,0|2,0,0]=3 2379 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,0,0,0,0|1,0,2]=4 2380 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,0,0,0,0|1,0,2]=4 2381 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|1,0,2]=4 2382 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|1,0,2]=4 2383 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|1,0,2]=4 2384 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|1,0,2]=4 2385 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|1,0,2]=4 2386 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|1,0,2]=4 2387 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|1,0,2]=4 2388 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|1,0,2]=4 2389 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|1,0,2]=4 2390 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|1,0,2]=4 2391 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|1,0,2]=4 2392 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|1,0,2]=4 2393 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|1,0,2]=4 2394 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,0,0,0,0|2,0,0]=3 2395 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,0,0,0,0|2,0,0]=3 2396 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,1,0,0,0,0|1,0,2]=4 2397 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,0,0,0,0|1,0,2]=4 2398 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,0,0,0,0|1,0,2]=4 2399 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,1,0,0,0,0|1,0,2]=4 2400 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,1,0,0,0,0|1,0,2]=4 2401 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|1,0,2]=4 2402 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [0,1,0,0,0,0|3,0,0]=4 2403 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [0,1,0,0,0,0|3,0,0]=4 2404 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [0,1,0,0,0,0|3,0,0]=4 2405 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [0,1,0,0,0,0|3,0,0]=4 2406 B9R0.5 CCOCSC(C)COC 62a_100000739092_100000765312 [0,1,0,0,0,0|3,0,0]=4 2407 B9R0.5 CCOCSC(C)COC 62a_100000765312_100000739092 [0,1,0,0,0,0|3,0,0]=4 2408 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,1,0,0,0,0|1,0,2]=4 2409 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,0,0,0,0|1,0,2]=4 2410 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,0,0,0,0|1,0,2]=4 2411 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,1,0,0,0,0|1,0,2]=4 2412 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,1,0,0,0,0|1,0,2]=4 2413 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [0,1,0,0,0,0|3,0,0]=4 2414 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [0,1,0,0,0,0|3,0,0]=4 2415 B9R0.5 CN(CCF)CCCCO 2230a_100000717598_100011217306 [0,1,0,0,0,0|3,0,0]=4 2416 B9R0.5 CN(CCF)CCCCO 269982a_100000717598_100011217306 [0,1,0,0,0,0|3,0,0]=4 2417 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [0,1,0,0,0,0|3,0,0]=4 2418 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [0,1,0,0,0,0|3,0,0]=4 2419 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [0,1,0,0,0,0|3,0,0]=4 2420 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [0,1,0,0,0,0|3,0,0]=4 2421 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [0,1,0,0,0,0|3,0,0]=4 2422 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [0,1,0,0,0,0|3,0,0]=4 2423 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,0,0,0,0|1,0,2]=4 2424 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,0,0,0,0|1,0,2]=4 2425 B9R0.5 COCC(C)NCCCF 2230a_100015189416_100000765312 [0,1,0,0,0,0|3,0,0]=4 2426 B9R0.5 COCC(C)NCCCF 270004a_100015189416_100000749346 [0,1,0,0,0,0|3,0,0]=4 2427 B9R0.5 COCC(C)NCCCF 34a_100015189416_100000765312 [0,1,0,0,0,0|3,0,0]=4 2428 B9R0.5 COCC(C)NCCCO 270004a_100000182051_100000749346 [0,1,0,0,0,0|3,0,0]=4 2429 B9R0.5 COCC(C)NCCSC 2230a_100020590264_100000765312 [0,1,0,0,0,0|3,0,0]=4 2430 B9R0.5 COCC(C)NCCSC 270004a_100020590264_100000749346 [0,1,0,0,0,0|3,0,0]=4 2431 B9R0.5 COCC(C)OCCCBr 34a_100011217188_100000765312 [0,1,0,0,0,0|3,0,0]=4 2432 B9R0.5 COCC(C)OCCCCl 34a_100000230001_100000765312 [0,1,0,0,0,0|3,0,0]=4 2433 B9R0.5 COCC(C)OCCCF 34a_100000759539_100000765312 [0,1,0,0,0,0|3,0,0]=4 2434 B9R0.5 COCC(C)OCCCN 34a_100000182051_100000765312 [0,1,0,0,0,0|3,0,0]=4 2435 B9R0.5 COCC(C)OCCSC 34a_100000230434_100000765312 [0,1,0,0,0,0|3,0,0]=4 2436 B9R0.5 COCC(C)OCCSC 7a_100000230434_100000765312 [0,1,0,0,0,0|3,0,0]=4 2437 B9R0.5 COCC(C)SCCCF 62a_100000765312_100011934791 [0,1,0,0,0,0|3,0,0]=4 2438 B9R0.5 COCC(C)SCCCF 62a_100011934791_100000765312 [0,1,0,0,0,0|3,0,0]=4 2439 B9R0.5 COCC(C)SCCCO 62a_100000765312_100011215043 [0,1,0,0,0,0|3,0,0]=4 2440 B9R0.5 COCC(C)SCCCO 62a_100011215043_100000765312 [0,1,0,0,0,0|3,0,0]=4 2441 B9R0.5 COCC(C)SCCSC 62a_100000212216_100000765312 [0,1,0,0,0,0|3,0,0]=4 2442 B9R0.5 COCC(C)SCCSC 62a_100000765312_100000751147 [0,1,0,0,0,0|3,0,0]=4 2443 B9R0.5 COCC(N)COCCF 34a_100000724102_100011217306 [0,1,0,0,0,0|3,0,0]=4 2444 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [0,1,0,0,0,0|3,0,0]=4 2445 B9R0.5 COCC(N)COCSC 34a_100000724102_100011218213 [0,1,0,0,0,0|3,0,0]=4 2446 B9R0.5 COCC(O)CNCC#N 2230a_100000756049_100011215382 [0,1,0,0,0,0|2,0,1]=4 2447 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [0,1,0,0,0,0|2,0,1]=4 2448 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [0,1,0,0,0,0|2,0,1]=4 2449 B9R0.5 COCC(O)CNCCF 2230a_100000756049_100011217306 [0,1,0,0,0,0|2,0,0]=3 2450 B9R0.5 COCC(O)CNCCF 34a_100000724931_100011215053 [0,1,0,0,0,0|2,0,0]=3 2451 B9R0.5 COCC(O)CNCCF 34a_100000756049_100011217306 [0,1,0,0,0,0|2,0,0]=3 2452 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [0,1,0,0,0,0|2,0,0]=3 2453 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [0,1,0,0,0,0|2,0,0]=3 2454 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [0,1,0,0,0,0|2,0,0]=3 2455 B9R0.5 COCC(O)CNCSC 2230a_100000756049_100011218213 [0,1,0,0,0,0|2,0,0]=3 2456 B9R0.5 COCC(O)CNCSC 34a_100000756049_100011218213 [0,1,0,0,0,0|2,0,0]=3 2457 B9R0.5 COCC(O)COCCBr 34a_100000211926_100011215053 [0,1,0,0,0,0|2,0,0]=3 2458 B9R0.5 COCC(O)COCCN 34a_100000210304_100011215053 [0,1,0,0,0,0|2,0,0]=3 2459 B9R0.5 COCC(O)CSCC#N 62a_100011215053_100011215382 [0,1,0,0,0,0|2,0,1]=4 2460 B9R0.5 COCC(O)CSCC#N 62a_100011215382_100011215053 [0,1,0,0,0,0|2,0,1]=4 2461 B9R0.5 COCC(O)CSCC=O 62a_100011215053_200015260668 [0,1,0,0,0,0|2,0,1]=4 2462 B9R0.5 COCC(O)CSCC=O 62a_200015260668_100011215053 [0,1,0,0,0,0|2,0,1]=4 2463 B9R0.5 COCC(O)CSCCF 62a_100011215053_100011217306 [0,1,0,0,0,0|2,0,0]=3 2464 B9R0.5 COCC(O)CSCCF 62a_100011217306_100011215053 [0,1,0,0,0,0|2,0,0]=3 2465 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [0,1,0,0,0,0|2,0,0]=3 2466 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [0,1,0,0,0,0|2,0,0]=3 2467 B9R0.5 COCC(O)CSCSC 62a_100011215053_100011218213 [0,1,0,0,0,0|2,0,0]=3 2468 B9R0.5 COCC(O)CSCSC 62a_100011218213_100011215053 [0,1,0,0,0,0|2,0,0]=3 2469 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,1,0,0,0,0|1,0,2]=4 2470 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,1,0,0,0,0|1,0,2]=4 2471 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,1,0,0,0,0|1,0,2]=4 2472 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,1,0,0,0,0|1,0,2]=4 2473 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,1,0,0,0,0|1,0,2]=4 2474 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [0,1,0,0,0,0|3,0,0]=4 2475 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [0,1,0,0,0,0|3,0,0]=4 2476 B9R0.5 COCCCN(C)CCF 2230a_100000224831_100011217306 [0,1,0,0,0,0|3,0,0]=4 2477 B9R0.5 COCCCN(C)CCF 269982a_100000224831_100011217306 [0,1,0,0,0,0|3,0,0]=4 2478 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [0,1,0,0,0,0|3,0,0]=4 2479 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [0,1,0,0,0,0|3,0,0]=4 2480 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [0,1,0,0,0,0|3,0,0]=4 2481 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [0,1,0,0,0,0|3,0,0]=4 2482 B9R0.5 COCCCN(C)COC 2230a_100000224831_100000766300 [0,1,0,0,0,0|3,0,0]=4 2483 B9R0.5 COCCCN(C)COC 269982a_100000224831_100000766300 [0,1,0,0,0,0|3,0,0]=4 2484 B9R0.5 COCCCN(C)CSC 2230a_100000224831_100011218213 [0,1,0,0,0,0|3,0,0]=4 2485 B9R0.5 COCCCN(C)CSC 269982a_100000224831_100011218213 [0,1,0,0,0,0|3,0,0]=4 2486 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [0,1,0,0,0,0|3,0,0]=4 2487 B9R0.5 COCCNC(C)COC 2230a_100000209980_100000765312 [0,1,0,0,0,0|3,0,0]=4 2488 B9R0.5 COCCNC(C)COC 270004a_100000209980_100000749346 [0,1,0,0,0,0|3,0,0]=4 2489 B9R0.5 COCCNC(C)CSC 270004a_100000209980_100011216314 [0,1,0,0,0,0|3,0,0]=4 2490 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [0,1,0,0,0,0|3,0,0]=4 2491 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [0,1,0,0,0,0|3,0,0]=4 2492 B9R0.5 COCCN[C@H](C)COC 2230a_100000764878_100011201679 [0,1,0,0,0,0|3,0,0]=4 2493 B9R0.5 COCCOC(C)CCBr 34a_100012276601_100011201679 [0,1,0,0,0,0|3,0,0]=4 2494 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [0,1,0,0,0,0|3,0,0]=4 2495 B9R0.5 COCCOC(C)COC 34a_100000210237_100000765312 [0,1,0,0,0,0|3,0,0]=4 2496 B9R0.5 COCCO[C@H](C)COC 34a_100011934205_100011201679 [0,1,0,0,0,0|3,0,0]=4 2497 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [0,1,0,0,0,0|3,0,0]=4 2498 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [0,1,0,0,0,0|3,0,0]=4 2499 B9R0.5 COCCSC(C)COC 62a_100000233755_100000765312 [0,1,0,0,0,0|3,0,0]=4 2500 B9R0.5 COCCSC(C)COC 62a_100000765312_100000233755 [0,1,0,0,0,0|3,0,0]=4 2501 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [0,1,0,0,0,0|3,0,0]=4 2502 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [0,1,0,0,0,0|3,0,0]=4 2503 B9R0.5 COCNCC(O)COC 2230a_100000756049_100000766300 [0,1,0,0,0,0|2,0,0]=3 2504 B9R0.5 COCSCC(O)COC 62a_100000766300_100011215053 [0,1,0,0,0,0|2,0,0]=3 2505 B9R0.5 COCSCC(O)COC 62a_100011215053_100000766300 [0,1,0,0,0,0|2,0,0]=3 2506 B9R0.5 COCSC[C@@H](O)CC#N 62a_100000001066_100000766300 [0,1,0,0,0,0|2,0,1]=4 2507 B9R0.5 COCSC[C@@H](O)CC#N 62a_100000766300_100000001066 [0,1,0,0,0,0|2,0,1]=4 2508 B9R0.5 COC[C@@H](C)NCCCF 2230a_100000764878_100011934791 [0,1,0,0,0,0|3,0,0]=4 2509 B9R0.5 COC[C@@H](C)NCCCO 2230a_100000764878_100000230001 [0,1,0,0,0,0|3,0,0]=4 2510 B9R0.5 COC[C@@H](C)NCCSC 2230a_100000764878_100000751147 [0,1,0,0,0,0|3,0,0]=4 2511 B9R0.5 COC[C@@H](C)OCCCF 34a_100011934205_100011934791 [0,1,0,0,0,0|3,0,0]=4 2512 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [0,1,0,0,0,0|3,0,0]=4 2513 B9R0.5 COC[C@@H](C)OCCSC 34a_100011934205_100000212216 [0,1,0,0,0,0|3,0,0]=4 2514 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [0,1,0,0,0,0|2,0,0]=3 2515 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,1,0,0,0,0|1,0,2]=4 2516 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,1,0,0,0,0|1,0,2]=4 2517 B9R0.5 CSCC(C)NCCCF 270004a_100015189416_100011216314 [0,1,0,0,0,0|3,0,0]=4 2518 B9R0.5 CSCC(C)NCCCO 270004a_100000182051_100011216314 [0,1,0,0,0,0|3,0,0]=4 2519 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,1,0,0,0,0|1,0,2]=4 2520 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,1,0,0,0,0|1,0,2]=4 2521 B9R0.5 CSCCNC(C)CCO 2230a_100020590264_100009893172 [0,1,0,0,0,0|3,0,0]=4 2522 B9R0.5 CSCCNC(C)CSC 270004a_100020590264_100011216314 [0,1,0,0,0,0|3,0,0]=4 2523 B9R0.5 CSCCN[C@H](C)CCO 2230a_100000706166_100000751147 [0,1,0,0,0,0|3,0,0]=4 2524 B9R0.5 CSCCN[C@H](C)CCO 34a_100000706166_100000212216 [0,1,0,0,0,0|3,0,0]=4 2525 B9R0.5 CSCCOC(C)CCBr 34a_100012276601_100000212216 [0,1,0,0,0,0|3,0,0]=4 2526 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [0,1,0,0,0,0|3,0,0]=4 2527 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [0,1,0,0,0,0|3,0,0]=4 2528 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [0,1,0,0,0,0|3,0,0]=4 2529 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [0,1,0,0,0,0|3,0,0]=4 2530 B9R0.5 CSCN(C)CCCCO 2230a_100000717598_100011218213 [0,1,0,0,0,0|3,0,0]=4 2531 B9R0.5 CSCN(C)CCCCO 269982a_100000717598_100011218213 [0,1,0,0,0,0|3,0,0]=4 2532 B9R0.5 CSCOCC(C)CCN 34a_106354213184_100011218213 [0,1,0,0,0,0|3,0,0]=4 2533 B9R0.5 CSCSC[C@@H](O)CC#N 62a_100000001066_100011218213 [0,1,0,0,0,0|2,0,1]=4 2534 B9R0.5 CSCSC[C@@H](O)CC#N 62a_100011218213_100000001066 [0,1,0,0,0,0|2,0,1]=4 2535 B9R0.5 C[C@H](CCO)NCCCF 2230a_100000706166_100011934791 [0,1,0,0,0,0|3,0,0]=4 2536 B9R0.5 C[C@H](CCO)NCCCF 34a_100000706166_100011934791 [0,1,0,0,0,0|3,0,0]=4 2537 B9R0.5 C[C@H](CCO)NCCCO 2230a_100000706166_100000230001 [0,1,0,0,0,0|3,0,0]=4 2538 B9R0.5 C[C@H](CCO)NCCCO 34a_100000706166_100000230001 [0,1,0,0,0,0|3,0,0]=4 2539 B9R0.5 N#CC[C@H](O)CNCCO 2230a_100016997473_100000001066 [0,1,0,0,0,0|2,0,1]=4 2540 B9R0.5 N#CC[C@H](O)CSCCF 62a_100000001066_100011217306 [0,1,0,0,0,0|2,0,1]=4 2541 B9R0.5 N#CC[C@H](O)CSCCF 62a_100011217306_100000001066 [0,1,0,0,0,0|2,0,1]=4 2542 B9R0.5 N#CC[C@H](O)CSCCO 62a_100000001066_100000211926 [0,1,0,0,0,0|2,0,1]=4 2543 B9R0.5 N#CC[C@H](O)CSCCO 62a_100000211926_100000001066 [0,1,0,0,0,0|2,0,1]=4 2544 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,0,0,0,0|1,0,2]=4 2545 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,0,0,0,0|1,0,2]=4 2546 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,0,0,0,0|1,0,2]=4 2547 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,0,0,0,0|1,0,2]=4 2548 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [0,1,0,0,0,0|2,0,0]=3 2549 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [0,1,0,0,0,0|0,0,3]=4 2550 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,1,0,0,0,0|0,0,3]=4 2551 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [0,1,0,0,0,0|0,0,3]=4 2552 B9R0.8 CC#CCC(=O)C(O)CC 1458a_100011196387_100000748600 [0,1,0,0,0,0|0,0,3]=4 2553 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,1,0,0,0,0|0,0,3]=4 2554 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,0,0,0,0|1,0,2]=4 2555 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,1,0,0,0,0|2,0,1]=4 2556 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,1,0,0,0,0|2,0,1]=4 2557 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,1,0,0,0,0|2,0,1]=4 2558 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,1,0,0,0,0|2,0,1]=4 2559 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,0,0,0,0|2,0,1]=4 2560 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,0,0,0,0|2,0,1]=4 2561 B9R0.8 CCC(C)C(C)NCCF 269862a_100000724931_100000210599 [0,1,0,0,0,0|3,0,0]=4 2562 B9R0.8 CCC(C)C(C)NCCO 269862a_100000210304_100000210599 [0,1,0,0,0,0|3,0,0]=4 2563 B9R0.8 CCC(C)C(C)NCCO 270004a_100000210304_100000210599 [0,1,0,0,0,0|3,0,0]=4 2564 B9R0.8 CCC(C)C(C)OCCF 7a_100011215189_100011217306 [0,1,0,0,0,0|3,0,0]=4 2565 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [0,1,0,0,0,0|3,0,0]=4 2566 B9R0.8 CCC(C)N(C)CCCF 2230a_100000741768_100011934791 [0,1,0,0,0,0|3,0,0]=4 2567 B9R0.8 CCC(C)N(C)CCCF 269982a_100000741768_100011934791 [0,1,0,0,0,0|3,0,0]=4 2568 B9R0.8 CCC(C)N(C)CCCO 2230a_100000213112_100000758301 [0,1,0,0,0,0|3,0,0]=4 2569 B9R0.8 CCC(C)N(C)CCCO 2230a_100000741768_100000230001 [0,1,0,0,0,0|3,0,0]=4 2570 B9R0.8 CCC(C)N(C)CCCO 269982a_100000213112_100000758301 [0,1,0,0,0,0|3,0,0]=4 2571 B9R0.8 CCC(C)N(C)CCCO 269982a_100000741768_100011215043 [0,1,0,0,0,0|3,0,0]=4 2572 B9R0.8 CCC(C)N(C)CCOC 2230a_100000741768_100011201679 [0,1,0,0,0,0|3,0,0]=4 2573 B9R0.8 CCC(C)N(C)CCOC 2230a_100000743101_100000758301 [0,1,0,0,0,0|3,0,0]=4 2574 B9R0.8 CCC(C)N(C)CCOC 2230a_200000740884_200000210301 [0,1,0,0,0,0|3,0,0]=4 2575 B9R0.8 CCC(C)N(C)CCOC 269982a_100000741768_100000233755 [0,1,0,0,0,0|3,0,0]=4 2576 B9R0.8 CCC(C)N(C)CCOC 269982a_100000743101_100000758301 [0,1,0,0,0,0|3,0,0]=4 2577 B9R0.8 CCC(C)N(C)CCOC 269982a_200000740884_200000210301 [0,1,0,0,0,0|3,0,0]=4 2578 B9R0.8 CCC(C)N(C)CCSC 2230a_100000686725_100000758301 [0,1,0,0,0,0|3,0,0]=4 2579 B9R0.8 CCC(C)N(C)CCSC 2230a_100000741768_100000751147 [0,1,0,0,0,0|3,0,0]=4 2580 B9R0.8 CCC(C)N(C)CCSC 269982a_100000686725_100000758301 [0,1,0,0,0,0|3,0,0]=4 2581 B9R0.8 CCC(C)N(C)CCSC 269982a_100000741768_100000212216 [0,1,0,0,0,0|3,0,0]=4 2582 B9R0.8 CCC(C)N([13CH3])CCOC 2230a_200000740884_200025704644 [0,1,0,0,0,0|3,0,0]=4 2583 B9R0.8 CCC(C)N([13CH3])CCOC 269982a_200000740884_200025704644 [0,1,0,0,0,0|3,0,0]=4 2584 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [0,1,0,0,0,0|1,0,2]=4 2585 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,0,0,0,0|1,0,1]=3 2586 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,0,0,0,0|1,0,1]=3 2587 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,0,0,0,0|1,0,1]=3 2588 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|1,0,1]=3 2589 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [0,1,0,0,0,0|2,0,1]=4 2590 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,1,0,0,0,0|2,0,1]=4 2591 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,0,0,0,0|1,0,1]=3 2592 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,0,0,0,0|1,0,1]=3 2593 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|2,0,1]=4 2594 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,1,0,0,0,0|2,0,1]=4 2595 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|0,0,1]=2 2596 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|1,0,1]=3 2597 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,0,0,0,0|2,0,1]=4 2598 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,0,0,0,0|2,0,1]=4 2599 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,0,0,0,0|2,0,1]=4 2600 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,0,0,0,0|2,0,1]=4 2601 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|0,0,2]=3 2602 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|0,0,2]=3 2603 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,0,0,0,0|1,0,2]=4 2604 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|1,0,2]=4 2605 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|1,0,2]=4 2606 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|1,0,2]=4 2607 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|1,0,2]=4 2608 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|1,0,2]=4 2609 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,1,0,0,0,0|2,0,0]=3 2610 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,1,0,0,0,0|2,0,0]=3 2611 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|0,0,2]=3 2612 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,0,0,0,0|1,0,2]=4 2613 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|1,0,2]=4 2614 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|1,0,2]=4 2615 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,0,0,0,0|1,0,2]=4 2616 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,0,0,0,0|1,0,2]=4 2617 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,0,0,0,0|1,0,2]=4 2618 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,0,0,0,0|1,0,2]=4 2619 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207357_200000210301 [0,1,0,0,0,0|2,0,0]=3 2620 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207549_100000758301 [0,1,0,0,0,0|2,0,0]=3 2621 B9R0.8 CCCCN(C)C(C)CC 2230a_100000741768_100000210211 [0,1,0,0,0,0|2,0,0]=3 2622 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207357_200000210301 [0,1,0,0,0,0|2,0,0]=3 2623 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207549_100000758301 [0,1,0,0,0,0|2,0,0]=3 2624 B9R0.8 CCCCN(C)C(C)CC 269982a_100000741768_100000210211 [0,1,0,0,0,0|2,0,0]=3 2625 B9R0.8 CCCCN(C)C(C)CO 2230a_100000207549_100012180447 [0,1,0,0,0,0|3,0,0]=4 2626 B9R0.8 CCCCN(C)C(C)CO 2230a_100000693034_100000210211 [0,1,0,0,0,0|3,0,0]=4 2627 B9R0.8 CCCCN(C)C(C)CO 269982a_100000693034_100000210211 [0,1,0,0,0,0|3,0,0]=4 2628 B9R0.8 CCCCN(C)C(C)OC 269982a_100000207549_100009879195 [0,1,0,0,0,0|3,0,0]=4 2629 B9R0.8 CCCCN(C)[C@H](C)CO 269982a_100000207549_100016084084 [0,1,0,0,0,0|3,0,0]=4 2630 B9R0.8 CCCCN([13CH3])C(C)CC 2230a_100000207357_200025704644 [0,1,0,0,0,0|2,0,0]=3 2631 B9R0.8 CCCCN([13CH3])C(C)CC 269982a_100000207357_200025704644 [0,1,0,0,0,0|2,0,0]=3 2632 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,1,0,0,0,0|2,0,1]=4 2633 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,1,0,0,0,0|2,0,1]=4 2634 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,1,0,0,0,0|2,0,1]=4 2635 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,1,0,0,0,0|2,0,1]=4 2636 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,1,0,0,0,0|1,0,1]=3 2637 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,1,0,0,0,0|2,0,1]=4 2638 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,1,0,0,0,0|2,0,0]=3 2639 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,1,0,0,0,0|2,0,0]=3 2640 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,1,0,0,0,0|2,0,0]=3 2641 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,0,0,0,0|1,0,2]=4 2642 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,0,0,0,0|1,0,2]=4 2643 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [0,1,0,0,0,0|2,0,1]=4 2644 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,1,0,0,0,0|2,0,1]=4 2645 B9R0.8 CCOCC(C)N(C)CC 7a_100000732741_100000210202 [0,1,0,0,0,0|3,0,0]=4 2646 B9R0.8 CCOCN(C)C(C)CC 269982a_100000741768_100000739092 [0,1,0,0,0,0|3,0,0]=4 2647 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,1,0,0,0,0|2,0,1]=4 2648 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,1,0,0,0,0|2,0,1]=4 2649 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,1,0,0,0,0|2,0,1]=4 2650 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,1,0,0,0,0|2,0,1]=4 2651 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,1,0,0,0,0|2,0,1]=4 2652 B9R0.20 CC(C)(CO)CCCN[13CH3] 2230a_100000039164_200025704644 [0,1,0,0,0,0|3,0,0]=4 2653 B9R0.20 CCC(C)(C)COCCF 7a_100000765029_100011217306 [0,1,0,0,0,0|3,0,0]=4 2654 B9R0.20 CCC(C)(C)COCCO 7a_100000765029_100000211926 [0,1,0,0,0,0|3,0,0]=4 2655 B9R0.20 CCC(C)(C)NCCCF 2230a_100000211385_100011934791 [0,1,0,0,0,0|3,0,0]=4 2656 B9R0.20 CCC(C)(C)NCCCO 2230a_100000211385_100000230001 [0,1,0,0,0,0|3,0,0]=4 2657 B9R0.20 CCC(C)(C)NCCOC 2230a_100000211385_100011201679 [0,1,0,0,0,0|3,0,0]=4 2658 B9R0.20 CCC(C)(C)NCCSC 2230a_100000211385_100000751147 [0,1,0,0,0,0|3,0,0]=4 2659 B9R0.20 CCC(C)(C)OCCCF 7a_100000210230_100011934791 [0,1,0,0,0,0|3,0,0]=4 2660 B9R0.20 CCC(C)(C)OCCCO 7a_100000210230_100011215043 [0,1,0,0,0,0|3,0,0]=4 2661 B9R0.20 CCC(C)(C)OCCOC 7a_100000210230_100000233755 [0,1,0,0,0,0|3,0,0]=4 2662 B9R0.20 CCC(C)(C)OCCSC 7a_100000210230_100000212216 [0,1,0,0,0,0|3,0,0]=4 2663 B9R0.20 CCC(C)(C)OCCSC 7a_100000230434_100000210677 [0,1,0,0,0,0|3,0,0]=4 2664 B9R0.20 CCC(C)(C)SCCCF 62a_100000032637_100011934791 [0,1,0,0,0,0|3,0,0]=4 2665 B9R0.20 CCC(C)(C)SCCCF 62a_100011934791_100000032637 [0,1,0,0,0,0|3,0,0]=4 2666 B9R0.20 CCC(C)(C)SCCCO 62a_100000032637_100011215043 [0,1,0,0,0,0|3,0,0]=4 2667 B9R0.20 CCC(C)(C)SCCCO 62a_100011215043_100000032637 [0,1,0,0,0,0|3,0,0]=4 2668 B9R0.20 CCC(C)(C)SCCOC 62a_100000032637_100000233755 [0,1,0,0,0,0|3,0,0]=4 2669 B9R0.20 CCC(C)(C)SCCOC 62a_100000233755_100000032637 [0,1,0,0,0,0|3,0,0]=4 2670 B9R0.20 CCC(C)(C)SCCSC 62a_100000032637_100000751147 [0,1,0,0,0,0|3,0,0]=4 2671 B9R0.20 CCC(C)(C)SCCSC 62a_100000212216_100000032637 [0,1,0,0,0,0|3,0,0]=4 2672 B9R0.20 CCCCCS(=O)(=O)NC 270084a_100102657272_100000753860 [0,1,0,0,0,0|2,0,1]=4 2673 B9R0.20 CCCCCS(=O)(=O)NC 274078a_100102657272_100000753860 [0,1,0,0,0,0|2,0,1]=4 2674 B9R0.20 CCCCNC(C)(C)CC 2230a_100000211385_100000210211 [0,1,0,0,0,0|2,0,0]=3 2675 B9R0.20 CCCCNC(C)(C)CC 7a_106832991798_100000210677 [0,1,0,0,0,0|2,0,0]=3 2676 B9R0.20 CCCCNC(C)(C)CO 2230a_100000210608_100000210211 [0,1,0,0,0,0|3,0,0]=4 2677 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [0,1,0,0,0,0|2,0,1]=4 2678 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [0,1,0,0,0,0|2,0,1]=4 2679 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [0,1,0,0,0,0|2,0,1]=4 2680 B9R0.20 CCCCOC(C)(C)CC 7a_100000210227_100000210677 [0,1,0,0,0,0|2,0,0]=3 2681 B9R0.20 CCCCOC(C)(C)CC 7a_100000210230_100000210211 [0,1,0,0,0,0|2,0,0]=3 2682 B9R0.20 CCCCOC(C)(C)CCl 7a_100000764493_100000210211 [0,1,0,0,0,0|3,0,0]=4 2683 B9R0.20 CCCCSC(C)(C)CC 62a_100000032637_100000210210 [0,1,0,0,0,0|2,0,0]=3 2684 B9R0.20 CCCCSC(C)(C)CC 62a_100000210211_100000032637 [0,1,0,0,0,0|2,0,0]=3 2685 B9R0.20 CCCCSC(F)(F)CO 62a_100000210211_100011217949 [0,1,0,0,0,0|3,0,0]=4 2686 B9R0.20 CCCCSC(F)(F)CO 62a_100011217949_100000210210 [0,1,0,0,0,0|3,0,0]=4 2687 B9R0.20 CCCNCC(C)(C)CO 2230a_100020635058_100000210303 [0,1,0,0,0,0|3,0,0]=4 2688 B9R0.20 CCCNCC(C)(C)OC 2230a_100000763424_100000210303 [0,1,0,0,0,0|3,0,0]=4 2689 B9R0.20 CCCNCC(C)(C)SC 270004a_100020643023_100009845794 [0,1,0,0,0,0|3,0,0]=4 2690 B9R0.20 CCCOCC(C)(C)CC 7a_100000765029_100000210303 [0,1,0,0,0,0|2,0,0]=3 2691 B9R0.20 CCCOCC(C)(C)CCl 7a_100011217199_100000210303 [0,1,0,0,0,0|3,0,0]=4 2692 B9R0.20 CCCOCC(C)(C)CO 34a_100000210258_100009813988 [0,1,0,0,0,0|3,0,0]=4 2693 B9R0.20 CCCOCC(C)(C)OC 34a_100000210258_100000701081 [0,1,0,0,0,0|3,0,0]=4 2694 B9R0.20 CCCOCC(F)(F)CN 34a_100000703232_100000210303 [0,1,0,0,0,0|3,0,0]=4 2695 B9R0.20 CCCSCC(C)(C)CO 62a_100000210303_100009813988 [0,1,0,0,0,0|3,0,0]=4 2696 B9R0.20 CCCSCC(C)(C)CO 62a_100009813988_100000210303 [0,1,0,0,0,0|3,0,0]=4 2697 B9R0.20 CCCSCC(C)(C)OC 62a_100000210303_100000701081 [0,1,0,0,0,0|3,0,0]=4 2698 B9R0.20 CCCSCC(C)(C)OC 62a_100000701081_100000210303 [0,1,0,0,0,0|3,0,0]=4 2699 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100000751051_100000210202 [0,1,0,0,0,0|2,0,1]=4 2700 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100015525214_100000756660 [0,1,0,0,0,0|2,0,1]=4 2701 B9R0.20 CCNCCS(=O)(=O)CC 34a_100000751051_100000210202 [0,1,0,0,0,0|2,0,1]=4 2702 B9R0.20 CCOCCC(C)(C)OC 7a_100000699976_100000210202 [0,1,0,0,0,0|3,0,0]=4 2703 B9R0.20 CCOCCS(=O)(=O)CC 34a_100121572206_100000756660 [0,1,0,0,0,0|2,0,1]=4 2704 B9R0.20 CCOCCS(=O)(=O)CC 34a_200011216379_100000210202 [0,1,0,0,0,0|2,0,1]=4 2705 B9R0.20 CCOCCS(=O)(=O)CC 7a_200011216379_100000210202 [0,1,0,0,0,0|2,0,1]=4 2706 B9R0.20 CCOCSC(C)(C)CC 62a_100000032637_100000739092 [0,1,0,0,0,0|3,0,0]=4 2707 B9R0.20 CCOCSC(C)(C)CC 62a_100000739092_100000032637 [0,1,0,0,0,0|3,0,0]=4 2708 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000210202_100000756660 [0,1,0,0,0,0|2,0,1]=4 2709 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000756660_100000210202 [0,1,0,0,0,0|2,0,1]=4 2710 B9R0.20 CNCCCC(C)(C)CO 2230a_100000039164_200000210301 [0,1,0,0,0,0|3,0,0]=4 2711 B9R0.24 C#CC(C)NCC(O)CC 2230a_100000707721_100011218378 [0,1,0,0,0,0|1,0,2]=4 2712 B9R0.24 C#CC(C)NCC(O)CC 34a_100000707721_100011218378 [0,1,0,0,0,0|1,0,2]=4 2713 B9R0.24 C#CC(C)SCC(O)CC 62a_200000035995_100011218378 [0,1,0,0,0,0|1,0,2]=4 2714 B9R0.24 C#C[C@@H](C)OCC(O)CC 34a_100009815206_100011218378 [0,1,0,0,0,0|1,0,2]=4 2715 B9R0.24 C#C[C@@H](C)OCC(O)CC 7a_100009815206_100011218378 [0,1,0,0,0,0|1,0,2]=4 2716 B9R0.24 C=CC(C)OCC(O)CC 34a_100000695699_100011218378 [0,1,0,0,0,0|1,0,2]=4 2717 B9R0.24 C=CC(C)SCC(O)CC 62a_100011215867_100011218378 [0,1,0,0,0,0|1,0,2]=4 2718 B9R0.24 C=CC(O)CNC(C)CC 2230a_100000209981_100000730141 [0,1,0,0,0,0|1,0,2]=4 2719 B9R0.24 C=CC(O)COC(C)CC 7a_100000210228_100000730141 [0,1,0,0,0,0|1,0,2]=4 2720 B9R0.24 C=CC(O)CSC(C)CC 62a_100000730141_100000758301 [0,1,0,0,0,0|1,0,2]=4 2721 B9R0.24 C=CC(O)CSC(C)CC 62a_100000758301_100000730141 [0,1,0,0,0,0|1,0,2]=4 2722 B9R0.24 CC(CF)OCC(O)CO 34a_100016041109_100011219619 [0,1,0,0,0,0|3,0,0]=4 2723 B9R0.24 CC(CF)OCC(O)CO 7a_100016041109_100011219619 [0,1,0,0,0,0|3,0,0]=4 2724 B9R0.24 CC(CF)OC[C@@H](O)CF 34a_100016041109_100015614560 [0,1,0,0,0,0|3,0,0]=4 2725 B9R0.24 CC(CF)OC[C@@H](O)CF 7a_100016041109_100015614560 [0,1,0,0,0,0|3,0,0]=4 2726 B9R0.24 CC(CF)OC[C@@H](O)CO 34a_100016041109_100009815848 [0,1,0,0,0,0|3,0,0]=4 2727 B9R0.24 CC(CF)OC[C@@H](O)CO 7a_100016041109_100009815848 [0,1,0,0,0,0|3,0,0]=4 2728 B9R0.24 CC(CN)OCC(O)CO 34a_100000210904_100011219619 [0,1,0,0,0,0|3,0,0]=4 2729 B9R0.24 CC(CN)OC[C@@H](O)CF 34a_100000210904_100015614560 [0,1,0,0,0,0|3,0,0]=4 2730 B9R0.24 CC(CN)OC[C@@H](O)CO 34a_100000210904_100009815848 [0,1,0,0,0,0|3,0,0]=4 2731 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [0,1,0,0,0,0|3,0,0]=4 2732 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [0,1,0,0,0,0|3,0,0]=4 2733 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [0,1,0,0,0,0|3,0,0]=4 2734 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [0,1,0,0,0,0|3,0,0]=4 2735 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,0,0,0,0|0,0,2]=3 2736 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,1,0,0,0,0|1,0,2]=4 2737 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,1,0,0,0,0|1,0,2]=4 2738 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,0,0,0,0|1,0,2]=4 2739 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,0,0,0,0|1,0,2]=4 2740 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,0,0,0,0|1,0,2]=4 2741 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,0,0,0,0|1,0,2]=4 2742 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,0,0,0,0|1,0,2]=4 2743 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,0,0,0,0|1,0,2]=4 2744 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,0,0,0,0|1,0,2]=4 2745 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,0,0,0,0|1,0,2]=4 2746 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,0,0,0,0|1,0,1]=3 2747 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,0,0,0,0|1,0,1]=3 2748 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,0,0,0,0|1,0,1]=3 2749 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,1,0,0,0,0|2,0,1]=4 2750 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,1,0,0,0,0|2,0,1]=4 2751 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,0,0,0,0|1,0,2]=4 2752 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,0,0,0,0|1,0,2]=4 2753 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,0,0,0,0|1,0,2]=4 2754 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,0,0,0,0|1,0,2]=4 2755 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,0,0,0,0|1,0,2]=4 2756 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,1,0,0,0,0|2,0,0]=3 2757 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,1,0,0,0,0|2,0,0]=3 2758 B9R0.24 CCC(C)CNC(C)CC 2230a_100000209981_100000748023 [0,1,0,0,0,0|2,0,0]=3 2759 B9R0.24 CCC(C)CNC(C)CC 2230a_100020588543_100000758301 [0,1,0,0,0,0|2,0,0]=3 2760 B9R0.24 CCC(C)CNC(C)CC 270004a_100000209981_100000243153 [0,1,0,0,0,0|2,0,0]=3 2761 B9R0.24 CCC(C)CNC(C)CO 2230a_100020588543_100012180447 [0,1,0,0,0,0|3,0,0]=4 2762 B9R0.24 CCC(C)CN[C@H](C)CF 270004a_100102880703_100000243153 [0,1,0,0,0,0|3,0,0]=4 2763 B9R0.24 CCC(C)CN[C@H](C)CO 2230a_100000737577_100000748023 [0,1,0,0,0,0|3,0,0]=4 2764 B9R0.24 CCC(C)CN[C@H](C)CO 270004a_100000737577_100000243153 [0,1,0,0,0,0|3,0,0]=4 2765 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [0,1,0,0,0,0|2,0,0]=3 2766 B9R0.24 CCC(C)COC(C)CF 34a_100016041109_100000748023 [0,1,0,0,0,0|3,0,0]=4 2767 B9R0.24 CCC(C)COC(C)CF 7a_100016041109_100000748023 [0,1,0,0,0,0|3,0,0]=4 2768 B9R0.24 CCC(C)COC(C)CN 34a_100000210904_100000748023 [0,1,0,0,0,0|3,0,0]=4 2769 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [0,1,0,0,0,0|2,0,0]=3 2770 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [0,1,0,0,0,0|2,0,0]=3 2771 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [0,1,0,0,0,0|3,0,0]=4 2772 B9R0.24 CCC(C)CSC(C)OC 62a_100000748023_100009879195 [0,1,0,0,0,0|3,0,0]=4 2773 B9R0.24 CCC(C)CSC(C)OC 62a_100009879195_100000748023 [0,1,0,0,0,0|3,0,0]=4 2774 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [0,1,0,0,0,0|3,0,0]=4 2775 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [0,1,0,0,0,0|3,0,0]=4 2776 B9R0.24 CCC(C)NCC(C)CO 34a_100000744482_100011215416 [0,1,0,0,0,0|3,0,0]=4 2777 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [0,1,0,0,0,0|2,0,0]=3 2778 B9R0.24 CCC(C)NC[C@@H](C)CC 2230a_100000209981_100009816398 [0,1,0,0,0,0|2,0,0]=3 2779 B9R0.24 CCC(C)NC[C@@H](C)CO 2230a_100000209981_100000059175 [0,1,0,0,0,0|3,0,0]=4 2780 B9R0.24 CCC(C)NC[C@@H](C)OC 2230a_100020591295_100000758301 [0,1,0,0,0,0|3,0,0]=4 2781 B9R0.24 CCC(C)NC[C@@H](F)CO 34a_100015665980_100011215416 [0,1,0,0,0,0|3,0,0]=4 2782 B9R0.24 CCC(C)NC[C@@H](O)CF 2230a_100000209981_100015614560 [0,1,0,0,0,0|2,0,0]=3 2783 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [0,1,0,0,0,0|2,0,0]=3 2784 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [0,1,0,0,0,0|2,0,0]=3 2785 B9R0.24 CCC(C)OCC(C)CN 34a_100000744482_100011215416 [0,1,0,0,0,0|3,0,0]=4 2786 B9R0.24 CCC(C)OCC(C)OC 34a_100000690652_100011215416 [0,1,0,0,0,0|3,0,0]=4 2787 B9R0.24 CCC(C)OCC(Cl)CCl 34a_100000033668_100011215416 [0,1,0,0,0,0|3,0,0]=4 2788 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [0,1,0,0,0,0|2,0,0]=3 2789 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [0,1,0,0,0,0|2,0,0]=3 2790 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [0,1,0,0,0,0|2,0,0]=3 2791 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [0,1,0,0,0,0|3,0,0]=4 2792 B9R0.24 CCC(C)OC[C@@H](O)CF 7a_100000210228_100015614560 [0,1,0,0,0,0|2,0,0]=3 2793 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [0,1,0,0,0,0|2,0,0]=3 2794 B9R0.24 CCC(C)OC[C@H](F)CN 34a_100015665980_100011215416 [0,1,0,0,0,0|3,0,0]=4 2795 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,1,0,0,0,0|2,0,0]=3 2796 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,1,0,0,0,0|2,0,0]=3 2797 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [0,1,0,0,0,0|2,0,0]=3 2798 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [0,1,0,0,0,0|2,0,0]=3 2799 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [0,1,0,0,0,0|3,0,0]=4 2800 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [0,1,0,0,0,0|3,0,0]=4 2801 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100000758301_100015614560 [0,1,0,0,0,0|2,0,0]=3 2802 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100015614560_100000758301 [0,1,0,0,0,0|2,0,0]=3 2803 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,1,0,0,0,0|2,0,0]=3 2804 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,1,0,0,0,0|2,0,0]=3 2805 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,1,0,0,0,0|1,0,1]=3 2806 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,1,0,0,0,0|1,0,1]=3 2807 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,1,0,0,0,0|2,0,1]=4 2808 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,1,0,0,0,0|2,0,1]=4 2809 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,1,0,0,0,0|2,0,1]=4 2810 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,1,0,0,0,0|2,0,1]=4 2811 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,1,0,0,0,0|2,0,1]=4 2812 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,1,0,0,0,0|2,0,1]=4 2813 B9R0.24 CCC(O)CNC(C)C#N 2230a_100000737613_100011218378 [0,1,0,0,0,0|2,0,1]=4 2814 B9R0.24 CCC(O)CNC(C)C#N 2230a_100011218483_100000184139 [0,1,0,0,0,0|2,0,1]=4 2815 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [0,1,0,0,0,0|1,0,0]=2 2816 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [0,1,0,0,0,0|1,0,0]=2 2817 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [0,1,0,0,0,0|2,0,0]=3 2818 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [0,1,0,0,0,0|2,0,0]=3 2819 B9R0.24 CCC(O)COC(C)C#N 34a_100011218135_100011218378 [0,1,0,0,0,0|2,0,1]=4 2820 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,1,0,0,0,0|1,0,0]=2 2821 B9R0.24 CCC(O)COC(C)CF 34a_100016041109_100011218378 [0,1,0,0,0,0|2,0,0]=3 2822 B9R0.24 CCC(O)COC(C)CF 7a_100016041109_100011218378 [0,1,0,0,0,0|2,0,0]=3 2823 B9R0.24 CCC(O)COC(C)CN 34a_100000210904_100011218378 [0,1,0,0,0,0|2,0,0]=3 2824 B9R0.24 CCC(O)CSC(C)C#N 62a_100000703298_100011218378 [0,1,0,0,0,0|2,0,1]=4 2825 B9R0.24 CCC(O)CSC(C)C#N 62a_100011218378_100000703298 [0,1,0,0,0,0|2,0,1]=4 2826 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,1,0,0,0,0|1,0,0]=2 2827 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,1,0,0,0,0|1,0,0]=2 2828 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [0,1,0,0,0,0|2,0,0]=3 2829 B9R0.24 CCC(O)CSC(C)OC 62a_100009879195_100011218378 [0,1,0,0,0,0|2,0,0]=3 2830 B9R0.24 CCC(O)CSC(C)OC 62a_100011218378_100009879195 [0,1,0,0,0,0|2,0,0]=3 2831 B9R0.24 CCC(O)CSC(F)C#N 62a_100011218378_200000117898 [0,1,0,0,0,0|2,0,1]=4 2832 B9R0.24 CCC(O)CSC(F)C#N 62a_200000117898_100011218378 [0,1,0,0,0,0|2,0,1]=4 2833 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [0,1,0,0,0,0|2,0,0]=3 2834 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [0,1,0,0,0,0|2,0,0]=3 2835 B9R0.24 CC[C@H](C)CN[C@H](C)CO 2230a_100000737577_100009816398 [0,1,0,0,0,0|3,0,0]=4 2836 B9R0.24 CC[C@H](C)COC(C)CF 34a_100016041109_100009816398 [0,1,0,0,0,0|3,0,0]=4 2837 B9R0.24 CC[C@H](C)COC(C)CF 7a_100016041109_100009816398 [0,1,0,0,0,0|3,0,0]=4 2838 B9R0.24 CC[C@H](C)COC(C)CN 34a_100000210904_100009816398 [0,1,0,0,0,0|3,0,0]=4 2839 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [0,1,0,0,0,0|3,0,0]=4 2840 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [0,1,0,0,0,0|3,0,0]=4 2841 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009816398_100009879195 [0,1,0,0,0,0|3,0,0]=4 2842 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009879195_100009816398 [0,1,0,0,0,0|3,0,0]=4 2843 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [0,1,0,0,0,0|3,0,0]=4 2844 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [0,1,0,0,0,0|3,0,0]=4 2845 B9R0.24 COC(C)SCC(O)CO 62a_100009879195_100011219619 [0,1,0,0,0,0|3,0,0]=4 2846 B9R0.24 COC(C)SCC(O)CO 62a_100011219619_100009879195 [0,1,0,0,0,0|3,0,0]=4 2847 B9R0.24 COC(C)SC[C@@H](O)CF 62a_100009879195_100015614560 [0,1,0,0,0,0|3,0,0]=4 2848 B9R0.24 COC(C)SC[C@@H](O)CF 62a_100015614560_100009879195 [0,1,0,0,0,0|3,0,0]=4 2849 B9R0.24 COC(C)SC[C@@H](O)CO 62a_100009815848_100009879195 [0,1,0,0,0,0|3,0,0]=4 2850 B9R0.24 COC(C)SC[C@@H](O)CO 62a_100009879195_100009815848 [0,1,0,0,0,0|3,0,0]=4 2851 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [0,1,0,0,0,0|3,0,0]=4 2852 B9R0.24 C[C@H](CO)NC[C@@H](O)CF 2230a_100000737577_100015614560 [0,1,0,0,0,0|3,0,0]=4 2853 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [0,1,0,0,0,0|3,0,0]=4 2854 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [0,1,0,0,0,0|3,0,0]=4 2855 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [0,1,0,0,0,0|3,0,0]=4 2856 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [0,1,0,0,0,0|3,0,0]=4 2857 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [0,1,0,0,0,0|3,0,0]=4 2858 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [0,1,0,0,0,0|3,0,0]=4 2859 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [0,1,0,0,0,0|3,0,0]=4 2860 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011220946_100011218378 [0,1,0,0,0,0|0,0,3]=4 2861 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011667805_100000184674 [0,1,0,0,0,0|0,0,3]=4 2862 B9R0.34 C#CCN(C)CC(O)CC 2230a_100000225692_100011218378 [0,1,0,0,0,0|1,0,2]=4 2863 B9R0.34 C#CCN(C)CC(O)CC 34a_100000225692_100011218378 [0,1,0,0,0,0|1,0,2]=4 2864 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,0,0,0,0|0,0,3]=4 2865 B9R0.34 C=CC(O)CN(C)CCC 2230a_100000747261_100000730141 [0,1,0,0,0,0|1,0,2]=4 2866 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,1,0,0,0,0|0,0,3]=4 2867 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,1,0,0,0,0|0,0,3]=4 2868 B9R0.34 C=CCN(C)CC(O)CC 2230a_100000225617_100011218378 [0,1,0,0,0,0|1,0,2]=4 2869 B9R0.34 C=CCN(C)CC(O)CC 269982a_100000225617_100011218378 [0,1,0,0,0,0|1,0,2]=4 2870 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [0,1,0,0,0,0|0,0,3]=4 2871 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,1,0,0,0,0|0,0,3]=4 2872 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [0,1,0,0,0,0|2,0,1]=4 2873 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,1,0,0,0,0|2,0,1]=4 2874 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,1,0,0,0,0|2,0,1]=4 2875 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,1,0,0,0,0|2,0,1]=4 2876 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,1,0,0,0,0|2,0,1]=4 2877 B9R0.34 CCC(C)CN(C)CCF 2230a_100000753921_100011217306 [0,1,0,0,0,0|3,0,0]=4 2878 B9R0.34 CCC(C)CN(C)CCF 269982a_100000753921_100011217306 [0,1,0,0,0,0|3,0,0]=4 2879 B9R0.34 CCC(C)CN(C)CCO 2230a_100000210263_100000748023 [0,1,0,0,0,0|3,0,0]=4 2880 B9R0.34 CCC(C)CN(C)CCO 2230a_100000753921_100000211926 [0,1,0,0,0,0|3,0,0]=4 2881 B9R0.34 CCC(C)CN(C)CCO 269982a_100000210263_100000748023 [0,1,0,0,0,0|3,0,0]=4 2882 B9R0.34 CCC(C)CN(C)CCO 269982a_100000753921_100000211926 [0,1,0,0,0,0|3,0,0]=4 2883 B9R0.34 CCC(C)CN(C)CCO 270004a_100000210263_100000243153 [0,1,0,0,0,0|3,0,0]=4 2884 B9R0.34 CCC(C)CN(C)COC 2230a_100000753921_100000766300 [0,1,0,0,0,0|3,0,0]=4 2885 B9R0.34 CCC(C)CN(C)COC 269982a_100000753921_100000766300 [0,1,0,0,0,0|3,0,0]=4 2886 B9R0.34 CCC(C)CN(C)CSC 2230a_100000753921_100011218213 [0,1,0,0,0,0|3,0,0]=4 2887 B9R0.34 CCC(C)CN(C)CSC 269982a_100000753921_100011218213 [0,1,0,0,0,0|3,0,0]=4 2888 B9R0.34 CCC(C)NC(C)CCO 2230a_100000209981_100009893172 [0,1,0,0,0,0|3,0,0]=4 2889 B9R0.34 CCC(C)NC(C)COC 2230a_100000209981_100000765312 [0,1,0,0,0,0|3,0,0]=4 2890 B9R0.34 CCC(C)NC(C)COC 270004a_100000209981_100000749346 [0,1,0,0,0,0|3,0,0]=4 2891 B9R0.34 CCC(C)NC(C)CSC 270004a_100000209981_100011216314 [0,1,0,0,0,0|3,0,0]=4 2892 B9R0.34 CCC(C)N[C@H](C)CCO 2230a_100000706166_100000758301 [0,1,0,0,0,0|3,0,0]=4 2893 B9R0.34 CCC(C)N[C@H](C)CCO 34a_100000706166_100011215416 [0,1,0,0,0,0|3,0,0]=4 2894 B9R0.34 CCC(C)N[C@H](C)COC 2230a_100000764878_100000758301 [0,1,0,0,0,0|3,0,0]=4 2895 B9R0.34 CCC(C)OC(C)CCBr 34a_100012276601_100011215416 [0,1,0,0,0,0|3,0,0]=4 2896 B9R0.34 CCC(C)OC(C)CCO 7a_100000210228_100009893172 [0,1,0,0,0,0|3,0,0]=4 2897 B9R0.34 CCC(C)OC(C)COC 7a_100000210228_100000765312 [0,1,0,0,0,0|3,0,0]=4 2898 B9R0.34 CCC(C)O[C@H](C)COC 34a_100011934205_100011215416 [0,1,0,0,0,0|3,0,0]=4 2899 B9R0.34 CCC(C)SC(C)CCO 62a_100000758301_100009893172 [0,1,0,0,0,0|3,0,0]=4 2900 B9R0.34 CCC(C)SC(C)CCO 62a_100009893172_100000758301 [0,1,0,0,0,0|3,0,0]=4 2901 B9R0.34 CCC(C)SC(C)COC 62a_100000758301_100000765312 [0,1,0,0,0,0|3,0,0]=4 2902 B9R0.34 CCC(C)SC(C)COC 62a_100000765312_100000758301 [0,1,0,0,0,0|3,0,0]=4 2903 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100011667805_100011214920 [0,1,0,0,0,0|1,0,2]=4 2904 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100051588842_100011218378 [0,1,0,0,0,0|1,0,2]=4 2905 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,1,0,0,0,0|1,0,1]=3 2906 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,1,0,0,0,0|1,0,1]=3 2907 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,1,0,0,0,0|1,0,1]=3 2908 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,1,0,0,0,0|1,0,1]=3 2909 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,1,0,0,0,0|1,0,1]=3 2910 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [0,1,0,0,0,0|2,0,1]=4 2911 B9R0.34 CCC(O)CN(C)CC#N 2230a_100000748184_100011218378 [0,1,0,0,0,0|2,0,1]=4 2912 B9R0.34 CCC(O)CN(C)CCO 2230a_100000210263_100011218378 [0,1,0,0,0,0|2,0,0]=3 2913 B9R0.34 CCC(O)CN(C)CCO 269982a_100000210263_100011218378 [0,1,0,0,0,0|2,0,0]=3 2914 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|0,0,3]=4 2915 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|0,0,3]=4 2916 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,0|1,0,1]=3 2917 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,0|1,0,1]=3 2918 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,0|0,0,1]=2 2919 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,0|0,0,1]=2 2920 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,1,0,0,0,0|2,0,1]=4 2921 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,1,0,0,0,0|2,0,1]=4 2922 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,1,0,0,0,0|2,0,1]=4 2923 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,0|1,0,1]=3 2924 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,0|2,0,1]=4 2925 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,1,0,0,0,0|2,0,1]=4 2926 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,1,0,0,0,0|2,0,1]=4 2927 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,1,0,0,0,0|2,0,1]=4 2928 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,1,0,0,0,0|2,0,1]=4 2929 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,0,0,0,0|0,0,2]=3 2930 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,0,0,0,0|0,0,2]=3 2931 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,1,0,0,0,0|1,0,2]=4 2932 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,0,0,0,0|1,0,2]=4 2933 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,0,0,0,0|1,0,2]=4 2934 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,0,0,0,0|1,0,2]=4 2935 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,0,0,0,0|1,0,2]=4 2936 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,0,0,0,0|1,0,2]=4 2937 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [0,1,0,0,0,0|2,0,0]=3 2938 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [0,1,0,0,0,0|2,0,0]=3 2939 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,1,0,0,0,0|1,0,2]=4 2940 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,1,0,0,0,0|1,0,2]=4 2941 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,1,0,0,0,0|1,0,2]=4 2942 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,1,0,0,0,0|1,0,2]=4 2943 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,1,0,0,0,0|2,0,0]=3 2944 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,1,0,0,0,0|2,0,0]=3 2945 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,1,0,0,0,0|2,0,0]=3 2946 B9R0.34 CCCC(C)NC(C)CO 2230a_100000741246_100012180447 [0,1,0,0,0,0|3,0,0]=4 2947 B9R0.34 CCCC(C)N[C@H](C)CF 270004a_100102880703_100000211909 [0,1,0,0,0,0|3,0,0]=4 2948 B9R0.34 CCCC(C)N[C@H](C)CO 2230a_100000737577_100000766640 [0,1,0,0,0,0|3,0,0]=4 2949 B9R0.34 CCCC(C)N[C@H](C)CO 270004a_100000737577_100000211909 [0,1,0,0,0,0|3,0,0]=4 2950 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,1,0,0,0,0|2,0,0]=3 2951 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,1,0,0,0,0|2,0,0]=3 2952 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,1,0,0,0,0|2,0,0]=3 2953 B9R0.34 CCCC(C)OC(C)CF 34a_100016041109_100000766640 [0,1,0,0,0,0|3,0,0]=4 2954 B9R0.34 CCCC(C)OC(C)CF 7a_100016041109_100000766640 [0,1,0,0,0,0|3,0,0]=4 2955 B9R0.34 CCCC(C)OC(C)CN 34a_100000210904_100000766640 [0,1,0,0,0,0|3,0,0]=4 2956 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [0,1,0,0,0,0|3,0,0]=4 2957 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [0,1,0,0,0,0|3,0,0]=4 2958 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,1,0,0,0,0|2,0,0]=3 2959 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,1,0,0,0,0|2,0,0]=3 2960 B9R0.34 CCCC(C)SC(C)CO 62a_100012180447_100000766640 [0,1,0,0,0,0|3,0,0]=4 2961 B9R0.34 CCCC(C)SC(C)OC 62a_100000766640_100009879195 [0,1,0,0,0,0|3,0,0]=4 2962 B9R0.34 CCCC(C)SC(C)OC 62a_100009879195_100000766640 [0,1,0,0,0,0|3,0,0]=4 2963 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100000766640_100016084084 [0,1,0,0,0,0|3,0,0]=4 2964 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100016084084_100000766640 [0,1,0,0,0,0|3,0,0]=4 2965 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,1,0,0,0,0|1,0,2]=4 2966 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [0,1,0,0,0,0|2,0,0]=3 2967 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [0,1,0,0,0,0|2,0,0]=3 2968 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [0,1,0,0,0,0|2,0,0]=3 2969 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [0,1,0,0,0,0|2,0,0]=3 2970 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [0,1,0,0,0,0|2,0,0]=3 2971 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,1,0,0,0,0|1,0,0]=2 2972 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,1,0,0,0,0|1,0,0]=2 2973 B9R0.34 CCCN(C)CC(O)CO 2230a_100000747261_100011219619 [0,1,0,0,0,0|2,0,0]=3 2974 B9R0.34 CCCN(C)CC(O)CO 2230a_100011216503_100000210303 [0,1,0,0,0,0|2,0,0]=3 2975 B9R0.34 CCCN(C)CC(O)CO 2230a_200000156893_200000210301 [0,1,0,0,0,0|2,0,0]=3 2976 B9R0.34 CCCN(C)CC(O)CO 269982a_100011216503_100000210303 [0,1,0,0,0,0|2,0,0]=3 2977 B9R0.34 CCCN(C)CC(O)CO 269982a_200000156893_200000210301 [0,1,0,0,0,0|2,0,0]=3 2978 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [0,1,0,0,0,0|2,0,0]=3 2979 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [0,1,0,0,0,0|2,0,0]=3 2980 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [0,1,0,0,0,0|3,0,0]=4 2981 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [0,1,0,0,0,0|3,0,0]=4 2982 B9R0.34 CCCN(C)C[C@@H](O)CF 2230a_100000747261_100015614560 [0,1,0,0,0,0|2,0,0]=3 2983 B9R0.34 CCCN(C)C[C@@H](O)CO 2230a_100000747261_100009815848 [0,1,0,0,0,0|2,0,0]=3 2984 B9R0.34 CCCN([13CH3])CC(O)CO 2230a_200000156893_200025704644 [0,1,0,0,0,0|2,0,0]=3 2985 B9R0.34 CCCN([13CH3])CC(O)CO 269982a_200000156893_200025704644 [0,1,0,0,0,0|2,0,0]=3 2986 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,0,0,0,0|1,0,2]=4 2987 B9R0.34 CCN(C)CC(O)COC 2230a_100000739405_100000210202 [0,1,0,0,0,0|3,0,0]=4 2988 B9R0.34 CCN(C)CC(O)COC 269982a_100000739405_100000204670 [0,1,0,0,0,0|3,0,0]=4 2989 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,0,0,0,0|2,0,1]=4 2990 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,0,0,0,0|2,0,1]=4 2991 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,0,0,0,0|2,0,1]=4 2992 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,1,0,0,0,0|1,0,1]=3 2993 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,1,0,0,0,0|2,0,0]=3 2994 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,1,0,0,0,0|2,0,0]=3 2995 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,1,0,0,0,0|1,0,2]=4 2996 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,1,0,0,0,0|2,0,1]=4 2997 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,1,0,0,0,0|2,0,1]=4 2998 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,1,0,0,0,0|2,0,1]=4 2999 B9R0.34 CC[C@H](C)CN(C)CCO 2230a_100000210263_100009816398 [0,1,0,0,0,0|3,0,0]=4 3000 B9R0.34 CC[C@H](C)CN(C)CCO 269982a_100000210263_100009816398 [0,1,0,0,0,0|3,0,0]=4 3001 B9R0.34 CN(CCF)CC(O)CO 2230a_100011216503_100011217306 [0,1,0,0,0,0|3,0,0]=4 3002 B9R0.34 CN(CCF)CC(O)CO 269982a_100011216503_100011217306 [0,1,0,0,0,0|3,0,0]=4 3003 B9R0.34 CN(CCO)CC(O)CO 2230a_100000210263_100011219619 [0,1,0,0,0,0|3,0,0]=4 3004 B9R0.34 CN(CCO)CC(O)CO 2230a_100011216503_100000211926 [0,1,0,0,0,0|3,0,0]=4 3005 B9R0.34 CN(CCO)CC(O)CO 269982a_100011216503_100000211926 [0,1,0,0,0,0|3,0,0]=4 3006 B9R0.34 CN(CCO)C[C@@H](O)CF 2230a_100000210263_100015614560 [0,1,0,0,0,0|3,0,0]=4 3007 B9R0.34 CN(CCO)C[C@@H](O)CO 2230a_100000210263_100009815848 [0,1,0,0,0,0|3,0,0]=4 3008 B9R0.34 COCN(C)CC(O)CO 2230a_100011216503_100000766300 [0,1,0,0,0,0|3,0,0]=4 3009 B9R0.34 COCN(C)CC(O)CO 269982a_100011216503_100000766300 [0,1,0,0,0,0|3,0,0]=4 3010 B9R0.34 CSCN(C)CC(O)CO 2230a_100011216503_100011218213 [0,1,0,0,0,0|3,0,0]=4 3011 B9R0.34 CSCN(C)CC(O)CO 269982a_100011216503_100011218213 [0,1,0,0,0,0|3,0,0]=4 3012 B9R0.46 C#CC(C)NCCCCC 2230a_100000707721_100000210326 [0,1,0,0,0,0|1,0,2]=4 3013 B9R0.46 C#CC(C)NCCCCC 34a_100000707721_100000718602 [0,1,0,0,0,0|1,0,2]=4 3014 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [0,1,0,0,0,0|1,0,2]=4 3015 B9R0.46 C#CC(C)SCCCCC 62a_200000035995_100000210326 [0,1,0,0,0,0|1,0,2]=4 3016 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|0,0,3]=4 3017 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|0,0,3]=4 3018 B9R0.46 C#CCCCCN(C)CC 2230a_100000225621_100010269958 [0,1,0,0,0,0|2,0,1]=4 3019 B9R0.46 C#CCCCCN(C)CC 269982a_100000225621_100010269958 [0,1,0,0,0,0|2,0,1]=4 3020 B9R0.46 C#CCCCNC(C)CC 2230a_100000209981_100000731252 [0,1,0,0,0,0|1,0,2]=4 3021 B9R0.46 C#CCCCNC(C)CC 34a_100000718082_100011215416 [0,1,0,0,0,0|1,0,2]=4 3022 B9R0.46 C#CCCCOC(C)CC 34a_100000215630_100011215416 [0,1,0,0,0,0|1,0,2]=4 3023 B9R0.46 C#CCCCOC(C)CC 7a_100000210228_100011215417 [0,1,0,0,0,0|1,0,2]=4 3024 B9R0.46 C#CCCCOC(C)CC 7a_100000215630_100000758301 [0,1,0,0,0,0|1,0,2]=4 3025 B9R0.46 C#CCCCSC(C)CC 62a_100000758301_100011215417 [0,1,0,0,0,0|1,0,2]=4 3026 B9R0.46 C#CCCCSC(C)CC 62a_100011215417_100000758301 [0,1,0,0,0,0|1,0,2]=4 3027 B9R0.46 C#CCCNCC(C)CC 2230a_100020588543_100000688953 [0,1,0,0,0,0|1,0,2]=4 3028 B9R0.46 C#CCCNCC(C)CC 34a_100000755551_100000748023 [0,1,0,0,0,0|1,0,2]=4 3029 B9R0.46 C#CCCNCC(O)CC 2230a_100011218483_100000688953 [0,1,0,0,0,0|0,0,2]=3 3030 B9R0.46 C#CCCNCC(O)CC 34a_100000755551_100011218378 [0,1,0,0,0,0|0,0,2]=3 3031 B9R0.46 C#CCCNCC(O)CO 34a_100000755551_100011219619 [0,1,0,0,0,0|1,0,2]=4 3032 B9R0.46 C#CCCNC[C@@H](C)CC 34a_100000755551_100009816398 [0,1,0,0,0,0|1,0,2]=4 3033 B9R0.46 C#CCCNC[C@@H](O)CF 34a_100000755551_100015614560 [0,1,0,0,0,0|1,0,2]=4 3034 B9R0.46 C#CCCNC[C@@H](O)CO 34a_100000755551_100009815848 [0,1,0,0,0,0|1,0,2]=4 3035 B9R0.46 C#CCCNC[C@H](O)CO 2230a_100020644852_100000688953 [0,1,0,0,0,0|1,0,2]=4 3036 B9R0.46 C#CCCOCC(C)CC 34a_100011215631_100000748023 [0,1,0,0,0,0|1,0,2]=4 3037 B9R0.46 C#CCCOCC(O)CC 34a_100011215631_100011218378 [0,1,0,0,0,0|0,0,2]=3 3038 B9R0.46 C#CCCOCC(O)CO 34a_100011215631_100011219619 [0,1,0,0,0,0|1,0,2]=4 3039 B9R0.46 C#CCCOC[C@@H](C)CC 34a_100011215631_100009816398 [0,1,0,0,0,0|1,0,2]=4 3040 B9R0.46 C#CCCOC[C@@H](C)CC 7a_100009816381_100000688953 [0,1,0,0,0,0|1,0,2]=4 3041 B9R0.46 C#CCCOC[C@@H](O)CF 34a_100011215631_100015614560 [0,1,0,0,0,0|1,0,2]=4 3042 B9R0.46 C#CCCOC[C@@H](O)CO 34a_100011215631_100009815848 [0,1,0,0,0,0|1,0,2]=4 3043 B9R0.46 C#CCCSCC(C)CC 62a_100000688953_100000748023 [0,1,0,0,0,0|1,0,2]=4 3044 B9R0.46 C#CCCSCC(C)CC 62a_100000748023_100000688953 [0,1,0,0,0,0|1,0,2]=4 3045 B9R0.46 C#CCCSCC(O)CC 62a_100000688953_100011218378 [0,1,0,0,0,0|0,0,2]=3 3046 B9R0.46 C#CCCSCC(O)CC 62a_100011218378_100000688953 [0,1,0,0,0,0|0,0,2]=3 3047 B9R0.46 C#CCCSCC(O)CO 62a_100000688953_100011219619 [0,1,0,0,0,0|1,0,2]=4 3048 B9R0.46 C#CCCSCC(O)CO 62a_100011219619_100000688953 [0,1,0,0,0,0|1,0,2]=4 3049 B9R0.46 C#CCCSC[C@@H](C)CC 62a_100000688953_100009816398 [0,1,0,0,0,0|1,0,2]=4 3050 B9R0.46 C#CCCSC[C@@H](C)CC 62a_100009816398_100000688953 [0,1,0,0,0,0|1,0,2]=4 3051 B9R0.46 C#CCCSC[C@@H](O)CF 62a_100000688953_100015614560 [0,1,0,0,0,0|1,0,2]=4 3052 B9R0.46 C#CCCSC[C@@H](O)CF 62a_100015614560_100000688953 [0,1,0,0,0,0|1,0,2]=4 3053 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100000688953_100009815848 [0,1,0,0,0,0|1,0,2]=4 3054 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100009815848_100000688953 [0,1,0,0,0,0|1,0,2]=4 3055 B9R0.46 C#CCNCCC(C)CC 2230a_100020591266_100000038162 [0,1,0,0,0,0|1,0,2]=4 3056 B9R0.46 C#CCOCCC(C)CC 7a_100011215188_100000038162 [0,1,0,0,0,0|1,0,2]=4 3057 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [0,1,0,0,0,0|1,0,2]=4 3058 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [0,1,0,0,0,0|1,0,2]=4 3059 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [0,1,0,0,0,0|1,0,2]=4 3060 B9R0.46 C/C=C/COCC(C)CC 34a_100016270725_100000748023 [0,1,0,0,0,0|1,0,2]=4 3061 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [0,1,0,0,0,0|0,0,2]=3 3062 B9R0.46 C/C=C/COCC(O)CO 34a_100016270725_100011219619 [0,1,0,0,0,0|1,0,2]=4 3063 B9R0.46 C/C=C/COC[C@@H](C)CC 34a_100016270725_100009816398 [0,1,0,0,0,0|1,0,2]=4 3064 B9R0.46 C/C=C/COC[C@@H](C)CC 7a_100009816381_100102629194 [0,1,0,0,0,0|1,0,2]=4 3065 B9R0.46 C/C=C/COC[C@@H](O)CF 34a_100016270725_100015614560 [0,1,0,0,0,0|1,0,2]=4 3066 B9R0.46 C/C=C/COC[C@@H](O)CO 34a_100016270725_100009815848 [0,1,0,0,0,0|1,0,2]=4 3067 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [0,1,0,0,0,0|1,0,2]=4 3068 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [0,1,0,0,0,0|1,0,2]=4 3069 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [0,1,0,0,0,0|0,0,2]=3 3070 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [0,1,0,0,0,0|0,0,2]=3 3071 B9R0.46 C/C=C/CSCC(O)CO 62a_100011219619_100102629194 [0,1,0,0,0,0|1,0,2]=4 3072 B9R0.46 C/C=C/CSCC(O)CO 62a_100102629194_100011219619 [0,1,0,0,0,0|1,0,2]=4 3073 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [0,1,0,0,0,0|1,0,2]=4 3074 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [0,1,0,0,0,0|1,0,2]=4 3075 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100015614560_100102629194 [0,1,0,0,0,0|1,0,2]=4 3076 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100102629194_100015614560 [0,1,0,0,0,0|1,0,2]=4 3077 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100009815848_100102629194 [0,1,0,0,0,0|1,0,2]=4 3078 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100102629194_100009815848 [0,1,0,0,0,0|1,0,2]=4 3079 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,1,0,0,0,0|1,0,2]=4 3080 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,1,0,0,0,0|1,0,2]=4 3081 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,1,0,0,0,0|1,0,2]=4 3082 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,1,0,0,0,0|1,0,2]=4 3083 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,1,0,0,0,0|0,0,2]=3 3084 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,1,0,0,0,0|0,0,2]=3 3085 B9R0.46 C=CC(O)CNCCCF 2230a_100015189416_100000730141 [0,1,0,0,0,0|1,0,2]=4 3086 B9R0.46 C=CC(O)CNCCCF 34a_100015189416_100000730141 [0,1,0,0,0,0|1,0,2]=4 3087 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [0,1,0,0,0,0|1,0,2]=4 3088 B9R0.46 C=CC(O)CNCCSC 2230a_100020590264_100000730141 [0,1,0,0,0,0|1,0,2]=4 3089 B9R0.46 C=CC(O)COCCCBr 34a_100011217188_100000730141 [0,1,0,0,0,0|1,0,2]=4 3090 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,1,0,0,0,0|0,0,2]=3 3091 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,1,0,0,0,0|0,0,2]=3 3092 B9R0.46 C=CC(O)COCCCCl 34a_100000230001_100000730141 [0,1,0,0,0,0|1,0,2]=4 3093 B9R0.46 C=CC(O)COCCCF 34a_100000759539_100000730141 [0,1,0,0,0,0|1,0,2]=4 3094 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [0,1,0,0,0,0|1,0,2]=4 3095 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [0,1,0,0,0,0|1,0,2]=4 3096 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [0,1,0,0,0,0|1,0,2]=4 3097 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [0,1,0,0,0,0|1,0,2]=4 3098 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,1,0,0,0,0|0,0,2]=3 3099 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,1,0,0,0,0|0,0,2]=3 3100 B9R0.46 C=CC(O)CSCCCF 62a_100000730141_100011934791 [0,1,0,0,0,0|1,0,2]=4 3101 B9R0.46 C=CC(O)CSCCCF 62a_100011934791_100000730141 [0,1,0,0,0,0|1,0,2]=4 3102 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,1,0,0,0,0|1,0,2]=4 3103 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,1,0,0,0,0|1,0,2]=4 3104 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [0,1,0,0,0,0|1,0,2]=4 3105 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [0,1,0,0,0,0|1,0,2]=4 3106 B9R0.46 C=CC(O)CSCCSC 62a_100000212216_100000730141 [0,1,0,0,0,0|1,0,2]=4 3107 B9R0.46 C=CC(O)CSCCSC 62a_100000730141_100000751147 [0,1,0,0,0,0|1,0,2]=4 3108 B9R0.46 C=CC(O)CSCOCC 62a_100000730141_100000739092 [0,1,0,0,0,0|1,0,2]=4 3109 B9R0.46 C=CC(O)CSCOCC 62a_100000739092_100000730141 [0,1,0,0,0,0|1,0,2]=4 3110 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|0,0,3]=4 3111 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|0,0,3]=4 3112 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [0,1,0,0,0,0|2,0,1]=4 3113 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [0,1,0,0,0,0|2,0,1]=4 3114 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [0,1,0,0,0,0|2,0,1]=4 3115 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [0,1,0,0,0,0|2,0,1]=4 3116 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [0,1,0,0,0,0|1,0,2]=4 3117 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [0,1,0,0,0,0|1,0,2]=4 3118 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [0,1,0,0,0,0|1,0,2]=4 3119 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [0,1,0,0,0,0|1,0,2]=4 3120 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [0,1,0,0,0,0|1,0,2]=4 3121 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [0,1,0,0,0,0|1,0,2]=4 3122 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [0,1,0,0,0,0|1,0,2]=4 3123 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [0,1,0,0,0,0|1,0,2]=4 3124 B9R0.46 C=CCCNCC(C)CC 2230a_100015191253_100000748023 [0,1,0,0,0,0|1,0,2]=4 3125 B9R0.46 C=CCCNCC(C)CC 2230a_100020588543_100000754431 [0,1,0,0,0,0|1,0,2]=4 3126 B9R0.46 C=CCCNCC(C)CC 270004a_100015191253_100000243153 [0,1,0,0,0,0|1,0,2]=4 3127 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [0,1,0,0,0,0|0,0,2]=3 3128 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [0,1,0,0,0,0|0,0,2]=3 3129 B9R0.46 C=CCCNCC(O)CO 2230a_100015191253_100011219619 [0,1,0,0,0,0|1,0,2]=4 3130 B9R0.46 C=CCCNC[C@@H](C)CC 2230a_100015191253_100009816398 [0,1,0,0,0,0|1,0,2]=4 3131 B9R0.46 C=CCCNC[C@@H](O)CF 2230a_100015191253_100015614560 [0,1,0,0,0,0|1,0,2]=4 3132 B9R0.46 C=CCCNC[C@@H](O)CO 2230a_100015191253_100009815848 [0,1,0,0,0,0|1,0,2]=4 3133 B9R0.46 C=CCCNC[C@H](O)CO 2230a_100020644852_100000754431 [0,1,0,0,0,0|1,0,2]=4 3134 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [0,1,0,0,0,0|1,0,2]=4 3135 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [0,1,0,0,0,0|0,0,2]=3 3136 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [0,1,0,0,0,0|1,0,2]=4 3137 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [0,1,0,0,0,0|1,0,2]=4 3138 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [0,1,0,0,0,0|1,0,2]=4 3139 B9R0.46 C=CCCOC[C@@H](O)CF 34a_100011205117_100015614560 [0,1,0,0,0,0|1,0,2]=4 3140 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [0,1,0,0,0,0|1,0,2]=4 3141 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [0,1,0,0,0,0|1,0,2]=4 3142 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [0,1,0,0,0,0|1,0,2]=4 3143 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [0,1,0,0,0,0|0,0,2]=3 3144 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [0,1,0,0,0,0|0,0,2]=3 3145 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,1,0,0,0,0|1,0,2]=4 3146 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,1,0,0,0,0|1,0,2]=4 3147 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [0,1,0,0,0,0|1,0,2]=4 3148 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [0,1,0,0,0,0|1,0,2]=4 3149 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100000754431_100015614560 [0,1,0,0,0,0|1,0,2]=4 3150 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100015614560_100000754431 [0,1,0,0,0,0|1,0,2]=4 3151 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,1,0,0,0,0|1,0,2]=4 3152 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,1,0,0,0,0|1,0,2]=4 3153 B9R0.46 C=CCNCCC(C)CC 2230a_100020591266_100000210623 [0,1,0,0,0,0|1,0,2]=4 3154 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [0,1,0,0,0,0|1,0,2]=4 3155 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|1,0,2]=4 3156 B9R0.46 CC#CCCOC(C)CC 34a_100000750427_100011215416 [0,1,0,0,0,0|1,0,2]=4 3157 B9R0.46 CC#CCNCC(C)CC 2230a_100000685387_100000748023 [0,1,0,0,0,0|1,0,2]=4 3158 B9R0.46 CC#CCNCC(C)CC 2230a_100020588543_100000748600 [0,1,0,0,0,0|1,0,2]=4 3159 B9R0.46 CC#CCNCC(C)CC 34a_100000685387_100000748023 [0,1,0,0,0,0|1,0,2]=4 3160 B9R0.46 CC#CCNCC(O)CC 2230a_100000685387_100011218378 [0,1,0,0,0,0|0,0,2]=3 3161 B9R0.46 CC#CCNCC(O)CC 2230a_100011218483_100000748600 [0,1,0,0,0,0|0,0,2]=3 3162 B9R0.46 CC#CCNCC(O)CC 34a_100000685387_100011218378 [0,1,0,0,0,0|0,0,2]=3 3163 B9R0.46 CC#CCNCC(O)CO 2230a_100000685387_100011219619 [0,1,0,0,0,0|1,0,2]=4 3164 B9R0.46 CC#CCNCC(O)CO 34a_100000685387_100011219619 [0,1,0,0,0,0|1,0,2]=4 3165 B9R0.46 CC#CCNC[C@@H](C)CC 2230a_100000685387_100009816398 [0,1,0,0,0,0|1,0,2]=4 3166 B9R0.46 CC#CCNC[C@@H](C)CC 34a_100000685387_100009816398 [0,1,0,0,0,0|1,0,2]=4 3167 B9R0.46 CC#CCNC[C@@H](O)CF 2230a_100000685387_100015614560 [0,1,0,0,0,0|1,0,2]=4 3168 B9R0.46 CC#CCNC[C@@H](O)CF 34a_100000685387_100015614560 [0,1,0,0,0,0|1,0,2]=4 3169 B9R0.46 CC#CCNC[C@@H](O)CO 2230a_100000685387_100009815848 [0,1,0,0,0,0|1,0,2]=4 3170 B9R0.46 CC#CCNC[C@@H](O)CO 34a_100000685387_100009815848 [0,1,0,0,0,0|1,0,2]=4 3171 B9R0.46 CC#CCNC[C@H](O)CO 2230a_100020644852_100000748600 [0,1,0,0,0,0|1,0,2]=4 3172 B9R0.46 CC#CCOCC(C)CC 34a_100000761923_100000748023 [0,1,0,0,0,0|1,0,2]=4 3173 B9R0.46 CC#CCOCC(O)CC 34a_100000761923_100011218378 [0,1,0,0,0,0|0,0,2]=3 3174 B9R0.46 CC#CCOCC(O)CO 34a_100000761923_100011219619 [0,1,0,0,0,0|1,0,2]=4 3175 B9R0.46 CC#CCOC[C@@H](C)CC 34a_100000761923_100009816398 [0,1,0,0,0,0|1,0,2]=4 3176 B9R0.46 CC#CCOC[C@@H](C)CC 7a_100009816381_100000748600 [0,1,0,0,0,0|1,0,2]=4 3177 B9R0.46 CC#CCOC[C@@H](O)CF 34a_100000761923_100015614560 [0,1,0,0,0,0|1,0,2]=4 3178 B9R0.46 CC#CCOC[C@@H](O)CO 34a_100000761923_100009815848 [0,1,0,0,0,0|1,0,2]=4 3179 B9R0.46 CC#CCSCC(C)CC 62a_100000748023_100000748600 [0,1,0,0,0,0|1,0,2]=4 3180 B9R0.46 CC#CCSCC(C)CC 62a_100000748600_100000748023 [0,1,0,0,0,0|1,0,2]=4 3181 B9R0.46 CC#CCSCC(O)CC 62a_100000748600_100011218378 [0,1,0,0,0,0|0,0,2]=3 3182 B9R0.46 CC#CCSCC(O)CC 62a_100011218378_100000748600 [0,1,0,0,0,0|0,0,2]=3 3183 B9R0.46 CC#CCSCC(O)CO 62a_100000748600_100011219619 [0,1,0,0,0,0|1,0,2]=4 3184 B9R0.46 CC#CCSCC(O)CO 62a_100011219619_100000748600 [0,1,0,0,0,0|1,0,2]=4 3185 B9R0.46 CC#CCSC[C@@H](C)CC 62a_100000748600_100009816398 [0,1,0,0,0,0|1,0,2]=4 3186 B9R0.46 CC#CCSC[C@@H](C)CC 62a_100009816398_100000748600 [0,1,0,0,0,0|1,0,2]=4 3187 B9R0.46 CC#CCSC[C@@H](O)CF 62a_100000748600_100015614560 [0,1,0,0,0,0|1,0,2]=4 3188 B9R0.46 CC#CCSC[C@@H](O)CF 62a_100015614560_100000748600 [0,1,0,0,0,0|1,0,2]=4 3189 B9R0.46 CC#CCSC[C@@H](O)CO 62a_100000748600_100009815848 [0,1,0,0,0,0|1,0,2]=4 3190 B9R0.46 CC#CCSC[C@@H](O)CO 62a_100009815848_100000748600 [0,1,0,0,0,0|1,0,2]=4 3191 B9R0.46 CC(CF)OCCCCF 34a_100016041109_100000729493 [0,1,0,0,0,0|3,0,0]=4 3192 B9R0.46 CC(CF)OCCCCF 7a_100016041109_100000729493 [0,1,0,0,0,0|3,0,0]=4 3193 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [0,1,0,0,0,0|3,0,0]=4 3194 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [0,1,0,0,0,0|3,0,0]=4 3195 B9R0.46 CC(CN)COCCCF 34a_100000744482_100011934791 [0,1,0,0,0,0|3,0,0]=4 3196 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [0,1,0,0,0,0|3,0,0]=4 3197 B9R0.46 CC(CN)OCCCCF 34a_100000210904_100000729493 [0,1,0,0,0,0|3,0,0]=4 3198 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [0,1,0,0,0,0|3,0,0]=4 3199 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [0,1,0,0,0,0|3,0,0]=4 3200 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [0,1,0,0,0,0|3,0,0]=4 3201 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,1,0,0,0,0|3,0,0]=4 3202 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,1,0,0,0,0|3,0,0]=4 3203 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [0,1,0,0,0,0|3,0,0]=4 3204 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [0,1,0,0,0,0|3,0,0]=4 3205 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,1,0,0,0,0|3,0,0]=4 3206 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,1,0,0,0,0|3,0,0]=4 3207 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [0,1,0,0,0,0|3,0,0]=4 3208 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [0,1,0,0,0,0|3,0,0]=4 3209 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [0,1,0,0,0,0|3,0,0]=4 3210 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [0,1,0,0,0,0|3,0,0]=4 3211 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [0,1,0,0,0,0|3,0,0]=4 3212 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [0,1,0,0,0,0|3,0,0]=4 3213 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [0,1,0,0,0,0|3,0,0]=4 3214 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [0,1,0,0,0,0|3,0,0]=4 3215 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,1,0,0,0,0|3,0,0]=4 3216 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,0,0,0,0|0,0,3]=4 3217 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [0,1,0,0,0,0|2,0,1]=4 3218 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [0,1,0,0,0,0|2,0,1]=4 3219 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [0,1,0,0,0,0|1,0,2]=4 3220 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [0,1,0,0,0,0|1,0,2]=4 3221 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [0,1,0,0,0,0|1,0,2]=4 3222 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [0,1,0,0,0,0|1,0,2]=4 3223 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [0,1,0,0,0,0|1,0,2]=4 3224 B9R0.46 CC=CCNCC(C)CC 2230a_100020588543_100000070051 [0,1,0,0,0,0|1,0,2]=4 3225 B9R0.46 CC=CCNCC(O)CC 2230a_100011218483_100000070051 [0,1,0,0,0,0|0,0,2]=3 3226 B9R0.46 CC=CCNC[C@H](O)CO 2230a_100020644852_100000070051 [0,1,0,0,0,0|1,0,2]=4 3227 B9R0.46 CC=CCOC[C@@H](C)CC 7a_100009816381_100000070051 [0,1,0,0,0,0|1,0,2]=4 3228 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [0,1,0,0,0,0|1,0,2]=4 3229 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [0,1,0,0,0,0|1,0,2]=4 3230 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [0,1,0,0,0,0|0,0,2]=3 3231 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [0,1,0,0,0,0|0,0,2]=3 3232 B9R0.46 CC=CCSCC(O)CO 62a_100000070051_100011219619 [0,1,0,0,0,0|1,0,2]=4 3233 B9R0.46 CC=CCSCC(O)CO 62a_100011219619_100000070051 [0,1,0,0,0,0|1,0,2]=4 3234 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [0,1,0,0,0,0|1,0,2]=4 3235 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [0,1,0,0,0,0|1,0,2]=4 3236 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100000070051_100015614560 [0,1,0,0,0,0|1,0,2]=4 3237 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100015614560_100000070051 [0,1,0,0,0,0|1,0,2]=4 3238 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100000070051_100009815848 [0,1,0,0,0,0|1,0,2]=4 3239 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100009815848_100000070051 [0,1,0,0,0,0|1,0,2]=4 3240 B9R0.46 CCC#CCNC(C)CC 2230a_100000209981_100009813939 [0,1,0,0,0,0|1,0,2]=4 3241 B9R0.46 CCC#CCOC(C)CC 34a_100000032950_100011215416 [0,1,0,0,0,0|1,0,2]=4 3242 B9R0.46 CCC#CCOC(C)CC 7a_100000210228_100009813939 [0,1,0,0,0,0|1,0,2]=4 3243 B9R0.46 CCC#CCSC(C)CC 62a_100000758301_100009813939 [0,1,0,0,0,0|1,0,2]=4 3244 B9R0.46 CCC#CCSC(C)CC 62a_100009813939_100000758301 [0,1,0,0,0,0|1,0,2]=4 3245 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|0,0,3]=4 3246 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|0,0,2]=3 3247 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|0,0,2]=3 3248 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|0,0,2]=3 3249 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|0,0,2]=3 3250 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,0,0,0,0|1,0,2]=4 3251 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,0,0,0,0|1,0,2]=4 3252 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|1,0,2]=4 3253 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|1,0,2]=4 3254 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|1,0,2]=4 3255 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|1,0,2]=4 3256 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|1,0,2]=4 3257 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|1,0,2]=4 3258 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|1,0,2]=4 3259 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|1,0,2]=4 3260 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|1,0,2]=4 3261 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|1,0,2]=4 3262 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|1,0,2]=4 3263 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|1,0,2]=4 3264 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,0,0,0,0|1,0,2]=4 3265 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,0,0,0,0|1,0,2]=4 3266 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|1,0,2]=4 3267 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|1,0,2]=4 3268 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|1,0,2]=4 3269 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|1,0,2]=4 3270 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|1,0,2]=4 3271 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|1,0,2]=4 3272 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|1,0,2]=4 3273 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|1,0,2]=4 3274 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|1,0,2]=4 3275 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,1,0,0,0,0|2,0,0]=3 3276 B9R0.46 CCC(C)CCNCC#N 2230a_100020591266_100011215382 [0,1,0,0,0,0|2,0,1]=4 3277 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [0,1,0,0,0,0|2,0,1]=4 3278 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [0,1,0,0,0,0|2,0,0]=3 3279 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,1,0,0,0,0|2,0,0]=3 3280 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [0,1,0,0,0,0|2,0,0]=3 3281 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [0,1,0,0,0,0|2,0,0]=3 3282 B9R0.46 CCC(C)CCOCC#N 7a_100011215188_100011215382 [0,1,0,0,0,0|2,0,1]=4 3283 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [0,1,0,0,0,0|2,0,1]=4 3284 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,1,0,0,0,0|2,0,0]=3 3285 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,1,0,0,0,0|2,0,0]=3 3286 B9R0.46 CCC(C)CNCCC#N 2230a_100020588543_100011215226 [0,1,0,0,0,0|2,0,1]=4 3287 B9R0.46 CCC(C)CNCCC#N 270004a_100000720768_100000243153 [0,1,0,0,0,0|2,0,1]=4 3288 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,1,0,0,0,0|2,0,0]=3 3289 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,1,0,0,0,0|2,0,0]=3 3290 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,1,0,0,0,0|2,0,0]=3 3291 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,1,0,0,0,0|2,0,0]=3 3292 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,1,0,0,0,0|2,0,0]=3 3293 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,1,0,0,0,0|2,0,0]=3 3294 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,1,0,0,0,0|2,0,0]=3 3295 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,1,0,0,0,0|2,0,0]=3 3296 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,1,0,0,0,0|2,0,0]=3 3297 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,1,0,0,0,0|2,0,0]=3 3298 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,1,0,0,0,0|2,0,0]=3 3299 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,1,0,0,0,0|2,0,0]=3 3300 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,1,0,0,0,0|2,0,0]=3 3301 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,1,0,0,0,0|2,0,0]=3 3302 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,1,0,0,0,0|2,0,0]=3 3303 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,1,0,0,0,0|2,0,0]=3 3304 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,1,0,0,0,0|2,0,0]=3 3305 B9R0.46 CCC(C)COCCON 34a_100000700252_100000748023 [0,1,0,0,0,0|3,0,0]=4 3306 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,1,0,0,0,0|2,0,0]=3 3307 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,1,0,0,0,0|2,0,0]=3 3308 B9R0.46 CCC(C)CSCCC#N 62a_100000748023_100011215226 [0,1,0,0,0,0|2,0,1]=4 3309 B9R0.46 CCC(C)CSCCC#N 62a_100011215226_100000748023 [0,1,0,0,0,0|2,0,1]=4 3310 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [0,1,0,0,0,0|2,0,0]=3 3311 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [0,1,0,0,0,0|2,0,0]=3 3312 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,1,0,0,0,0|2,0,0]=3 3313 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,1,0,0,0,0|2,0,0]=3 3314 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,1,0,0,0,0|2,0,0]=3 3315 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,1,0,0,0,0|2,0,0]=3 3316 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,1,0,0,0,0|2,0,0]=3 3317 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,1,0,0,0,0|2,0,0]=3 3318 B9R0.46 CCC(C)NCCCC#N 2230a_100000209981_100000687738 [0,1,0,0,0,0|2,0,1]=4 3319 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [0,1,0,0,0,0|2,0,1]=4 3320 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [0,1,0,0,0,0|2,0,0]=3 3321 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,1,0,0,0,0|2,0,0]=3 3322 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,1,0,0,0,0|2,0,0]=3 3323 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,1,0,0,0,0|2,0,0]=3 3324 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,1,0,0,0,0|2,0,0]=3 3325 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,1,0,0,0,0|2,0,0]=3 3326 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,1,0,0,0,0|2,0,0]=3 3327 B9R0.46 CCC(C)OCCCC#N 7a_100000210228_100000687738 [0,1,0,0,0,0|2,0,1]=4 3328 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [0,1,0,0,0,0|2,0,1]=4 3329 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,1,0,0,0,0|2,0,0]=3 3330 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,1,0,0,0,0|2,0,0]=3 3331 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,1,0,0,0,0|2,0,0]=3 3332 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,1,0,0,0,0|2,0,0]=3 3333 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,1,0,0,0,0|2,0,0]=3 3334 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,1,0,0,0,0|2,0,0]=3 3335 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,1,0,0,0,0|2,0,0]=3 3336 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,1,0,0,0,0|2,0,0]=3 3337 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,1,0,0,0,0|2,0,0]=3 3338 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,1,0,0,0,0|2,0,0]=3 3339 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,1,0,0,0,0|2,0,0]=3 3340 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,1,0,0,0,0|2,0,0]=3 3341 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,1,0,0,0,0|2,0,0]=3 3342 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,1,0,0,0,0|2,0,0]=3 3343 B9R0.46 CCC(C)SCCCC#N 62a_100000687738_100000758301 [0,1,0,0,0,0|2,0,1]=4 3344 B9R0.46 CCC(C)SCCCC#N 62a_100000758301_100000687738 [0,1,0,0,0,0|2,0,1]=4 3345 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [0,1,0,0,0,0|2,0,1]=4 3346 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [0,1,0,0,0,0|2,0,1]=4 3347 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [0,1,0,0,0,0|2,0,0]=3 3348 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [0,1,0,0,0,0|2,0,0]=3 3349 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,1,0,0,0,0|2,0,0]=3 3350 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,1,0,0,0,0|2,0,0]=3 3351 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,1,0,0,0,0|2,0,0]=3 3352 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,1,0,0,0,0|2,0,0]=3 3353 B9R0.46 CCC(O)CNCCC#N 2230a_100011218483_100011215226 [0,1,0,0,0,0|1,0,1]=3 3354 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,1,0,0,0,0|1,0,0]=2 3355 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,1,0,0,0,0|1,0,0]=2 3356 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,1,0,0,0,0|1,0,0]=2 3357 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,1,0,0,0,0|1,0,0]=2 3358 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,1,0,0,0,0|1,0,0]=2 3359 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,1,0,0,0,0|1,0,0]=2 3360 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,1,0,0,0,0|1,0,0]=2 3361 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,1,0,0,0,0|1,0,0]=2 3362 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,1,0,0,0,0|1,0,0]=2 3363 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,1,0,0,0,0|1,0,0]=2 3364 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,1,0,0,0,0|1,0,0]=2 3365 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,1,0,0,0,0|1,0,0]=2 3366 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,1,0,0,0,0|1,0,0]=2 3367 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [0,1,0,0,0,0|2,0,0]=3 3368 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,1,0,0,0,0|1,0,0]=2 3369 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,1,0,0,0,0|1,0,0]=2 3370 B9R0.46 CCC(O)CSCCC#N 62a_100011215226_100011218378 [0,1,0,0,0,0|1,0,1]=3 3371 B9R0.46 CCC(O)CSCCC#N 62a_100011218378_100011215226 [0,1,0,0,0,0|1,0,1]=3 3372 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,1,0,0,0,0|1,0,0]=2 3373 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,1,0,0,0,0|1,0,0]=2 3374 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,1,0,0,0,0|1,0,0]=2 3375 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,1,0,0,0,0|1,0,0]=2 3376 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,1,0,0,0,0|1,0,0]=2 3377 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,1,0,0,0,0|1,0,0]=2 3378 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,1,0,0,0,0|1,0,0]=2 3379 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,1,0,0,0,0|1,0,0]=2 3380 B9R0.46 CCC(O)CSCSC#N 62a_100000211825_100011218378 [0,1,0,0,0,0|2,0,1]=4 3381 B9R0.46 CCC(O)CSCSC#N 62a_100011218378_100000211825 [0,1,0,0,0,0|2,0,1]=4 3382 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,0,0,0,0|0,0,3]=4 3383 B9R0.46 CCC=NNCC(O)CC 4a_100015206393_100000210100 [0,1,0,0,0,0|1,0,1]=3 3384 B9R0.46 CCCC=NNC(C)CC 4a_100000718999_100000185831 [0,1,0,0,0,0|2,0,1]=4 3385 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|0,0,3]=4 3386 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|0,0,2]=3 3387 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|0,0,2]=3 3388 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|1,0,2]=4 3389 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|1,0,2]=4 3390 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|1,0,2]=4 3391 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|1,0,2]=4 3392 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|1,0,2]=4 3393 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|1,0,2]=4 3394 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|2,0,0]=3 3395 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|2,0,0]=3 3396 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|2,0,0]=3 3397 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|2,0,0]=3 3398 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|2,0,0]=3 3399 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|2,0,0]=3 3400 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|2,0,0]=3 3401 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|2,0,0]=3 3402 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|2,0,0]=3 3403 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|2,0,0]=3 3404 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|2,0,0]=3 3405 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|2,0,0]=3 3406 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|2,0,0]=3 3407 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|2,0,0]=3 3408 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|2,0,0]=3 3409 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|2,0,0]=3 3410 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|2,0,0]=3 3411 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,0,0,0,0|2,0,0]=3 3412 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,0,0,0,0|2,0,0]=3 3413 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,0,0,0,0|2,0,0]=3 3414 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,0,0,0,0|2,0,0]=3 3415 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,1,0,0,0,0|3,0,0]=4 3416 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|0,0,2]=3 3417 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|0,0,2]=3 3418 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|0,0,2]=3 3419 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|0,0,2]=3 3420 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|1,0,2]=4 3421 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|1,0,2]=4 3422 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|1,0,2]=4 3423 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|1,0,2]=4 3424 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|1,0,2]=4 3425 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|1,0,2]=4 3426 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|1,0,2]=4 3427 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|1,0,2]=4 3428 B9R0.46 CCCCCNC(C)C#N 2230a_100000209983_100000184139 [0,1,0,0,0,0|2,0,1]=4 3429 B9R0.46 CCCCCNC(C)C#N 2230a_100000737613_100000210326 [0,1,0,0,0,0|2,0,1]=4 3430 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,1,0,0,0,0|1,0,0]=2 3431 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,1,0,0,0,0|1,0,0]=2 3432 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,1,0,0,0,0|2,0,0]=3 3433 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,1,0,0,0,0|2,0,0]=3 3434 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [0,1,0,0,0,0|2,0,1]=4 3435 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [0,1,0,0,0,0|2,0,1]=4 3436 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,0,0,0,0|1,0,0]=2 3437 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,0,0,0,0|1,0,0]=2 3438 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,0,0,0,0|1,0,0]=2 3439 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,1,0,0,0,0|2,0,0]=3 3440 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,1,0,0,0,0|2,0,0]=3 3441 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,1,0,0,0,0|2,0,0]=3 3442 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,1,0,0,0,0|2,0,0]=3 3443 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,1,0,0,0,0|2,0,0]=3 3444 B9R0.46 CCCCCSC(C)C#N 62a_100000210326_100000703298 [0,1,0,0,0,0|2,0,1]=4 3445 B9R0.46 CCCCCSC(C)C#N 62a_100000703298_100000210326 [0,1,0,0,0,0|2,0,1]=4 3446 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,1,0,0,0,0|1,0,0]=2 3447 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,1,0,0,0,0|1,0,0]=2 3448 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,1,0,0,0,0|2,0,0]=3 3449 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|2,0,0]=3 3450 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|2,0,0]=3 3451 B9R0.46 CCCCCSC(F)C#N 62a_100000210326_200000117898 [0,1,0,0,0,0|2,0,1]=4 3452 B9R0.46 CCCCCSC(F)C#N 62a_200000117898_100000210326 [0,1,0,0,0,0|2,0,1]=4 3453 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,1,0,0,0,0|2,0,0]=3 3454 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,1,0,0,0,0|2,0,0]=3 3455 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|0,0,2]=3 3456 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|1,0,2]=4 3457 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|1,0,2]=4 3458 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|1,0,2]=4 3459 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|1,0,2]=4 3460 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|1,0,2]=4 3461 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,1,0,0,0,0|1,0,0]=2 3462 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,1,0,0,0,0|1,0,0]=2 3463 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,1,0,0,0,0|1,0,0]=2 3464 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,1,0,0,0,0|1,0,0]=2 3465 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,0]=3 3466 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,0,0,0,0|0,0,0]=1 3467 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,0,0,0,0|0,0,0]=1 3468 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,0,0,0,0|0,0,0]=1 3469 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,0,0,0,0|1,0,0]=2 3470 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,0,0,0,0|1,0,0]=2 3471 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,1,0,0,0,0|1,0,0]=2 3472 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,1,0,0,0,0|1,0,0]=2 3473 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,1,0,0,0,0|2,0,0]=3 3474 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,1,0,0,0,0|2,0,0]=3 3475 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|2,0,0]=3 3476 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,0]=3 3477 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,1,0,0,0,0|1,0,0]=2 3478 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,1,0,0,0,0|1,0,0]=2 3479 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,0,0,0,0|1,0,0]=2 3480 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,0,0,0,0|1,0,0]=2 3481 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,0,0,0,0|1,0,0]=2 3482 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|1,0,2]=4 3483 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|0,0,2]=3 3484 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|0,0,2]=3 3485 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|0,0,2]=3 3486 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|0,0,2]=3 3487 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|1,0,2]=4 3488 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|1,0,2]=4 3489 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|1,0,2]=4 3490 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|1,0,2]=4 3491 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|1,0,2]=4 3492 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|1,0,2]=4 3493 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|1,0,2]=4 3494 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|1,0,2]=4 3495 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|1,0,2]=4 3496 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|1,0,2]=4 3497 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|1,0,2]=4 3498 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,1,0,0,0,0|1,0,0]=2 3499 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,1,0,0,0,0|1,0,0]=2 3500 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,0]=3 3501 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|2,0,0]=3 3502 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|2,0,0]=3 3503 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|2,0,0]=3 3504 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|2,0,0]=3 3505 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|2,0,0]=3 3506 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,1,0,0,0,0|2,0,0]=3 3507 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,0,0,0,0|0,0,0]=1 3508 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,0,0,0,0|0,0,0]=1 3509 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,0,0,0,0|1,0,0]=2 3510 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,0,0,0,0|1,0,0]=2 3511 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,1,0,0,0,0|2,0,0]=3 3512 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,1,0,0,0,0|2,0,0]=3 3513 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,1,0,0,0,0|1,0,0]=2 3514 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,1,0,0,0,0|1,0,0]=2 3515 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,1,0,0,0,0|1,0,0]=2 3516 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,0,0,0,0|2,0,0]=3 3517 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,0,0,0,0|2,0,0]=3 3518 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,1,0,0,0,0|1,0,0]=2 3519 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,1,0,0,0,0|1,0,0]=2 3520 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,0,0,0,0|1,0,0]=2 3521 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,0,0,0,0|1,0,0]=2 3522 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,0]=3 3523 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|0,0,2]=3 3524 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|0,0,2]=3 3525 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|0,0,2]=3 3526 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|1,0,2]=4 3527 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|1,0,2]=4 3528 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|1,0,2]=4 3529 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|1,0,2]=4 3530 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|1,0,2]=4 3531 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|1,0,2]=4 3532 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|1,0,2]=4 3533 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|1,0,2]=4 3534 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|1,0,2]=4 3535 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,1,0,0,0,0|1,0,0]=2 3536 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,1,0,0,0,0|1,0,0]=2 3537 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,1,0,0,0,0|0,0,0]=1 3538 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,1,0,0,0,0|0,0,0]=1 3539 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,0,0,0,0|1,0,0]=2 3540 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,0,0,0,0|1,0,0]=2 3541 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,1,0,0,0,0|1,0,0]=2 3542 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,1,0,0,0,0|1,0,0]=2 3543 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,1,0,0,0,0|2,0,0]=3 3544 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,1,0,0,0,0|2,0,0]=3 3545 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,1,0,0,0,0|1,0,0]=2 3546 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,1,0,0,0,0|1,0,0]=2 3547 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,0,0,0,0|1,0,0]=2 3548 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,0,0,0,0|1,0,0]=2 3549 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|1,0,2]=4 3550 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|1,0,2]=4 3551 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,1,0,0,0,0|1,0,0]=2 3552 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,0,0,0,0|2,0,0]=3 3553 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,0,0,0,0|2,0,0]=3 3554 B9R0.46 CCCNN=CC(C)CC 4a_100000740057_100000243153 [0,1,0,0,0,0|2,0,1]=4 3555 B9R0.46 CCCNN=CC(O)CO 4a_100000740057_100000033539 [0,1,0,0,0,0|2,0,1]=4 3556 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|0,0,2]=3 3557 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|1,0,2]=4 3558 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|1,0,2]=4 3559 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|1,0,2]=4 3560 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|1,0,2]=4 3561 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,1,0,0,0,0|1,0,0]=2 3562 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|2,0,0]=3 3563 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [0,1,0,0,0,0|2,0,0]=3 3564 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [0,1,0,0,0,0|2,0,0]=3 3565 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|1,0,2]=4 3566 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|1,0,2]=4 3567 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|1,0,2]=4 3568 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|1,0,2]=4 3569 B9R0.46 CCN(C)CCCCC#N 2230a_100000225621_100000211819 [0,1,0,0,0,0|2,0,1]=4 3570 B9R0.46 CCN(C)CCCCC#N 269982a_100000225621_100011219923 [0,1,0,0,0,0|2,0,1]=4 3571 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [0,1,0,0,0,0|2,0,1]=4 3572 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [0,1,0,0,0,0|2,0,1]=4 3573 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [0,1,0,0,0,0|2,0,0]=3 3574 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [0,1,0,0,0,0|2,0,0]=3 3575 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,1,0,0,0,0|2,0,0]=3 3576 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,1,0,0,0,0|2,0,0]=3 3577 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,1,0,0,0,0|2,0,0]=3 3578 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,1,0,0,0,0|2,0,0]=3 3579 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,1,0,0,0,0|2,0,0]=3 3580 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,1,0,0,0,0|2,0,0]=3 3581 B9R0.46 CCN(C)CCCSCF 62a_100015361967_100015186262 [0,1,0,0,0,0|3,0,0]=4 3582 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [0,1,0,0,0,0|3,0,0]=4 3583 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [0,1,0,0,0,0|3,0,0]=4 3584 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [0,1,0,0,0,0|3,0,0]=4 3585 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [0,1,0,0,0,0|3,0,0]=4 3586 B9R0.46 CCN(C)COCCOC 2230a_100000225621_100000231047 [0,1,0,0,0,0|3,0,0]=4 3587 B9R0.46 CCN(C)COCCOC 269982a_100000225621_100000231047 [0,1,0,0,0,0|3,0,0]=4 3588 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|1,0,2]=4 3589 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|1,0,2]=4 3590 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|1,0,2]=4 3591 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|1,0,2]=4 3592 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [0,1,0,0,0,0|2,0,0]=3 3593 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|1,0,2]=4 3594 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|0,0,2]=3 3595 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|1,0,2]=4 3596 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|1,0,2]=4 3597 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|1,0,2]=4 3598 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,0,0,0,0|1,0,0]=2 3599 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,1,0,0,0,0|2,0,0]=3 3600 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,1,0,0,0,0|2,0,0]=3 3601 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,1,0,0,0,0|2,0,0]=3 3602 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|1,0,2]=4 3603 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|1,0,2]=4 3604 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|1,0,2]=4 3605 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|1,0,2]=4 3606 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|1,0,2]=4 3607 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|1,0,2]=4 3608 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,1,0,0,0,0|2,0,0]=3 3609 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,1,0,0,0,0|2,0,0]=3 3610 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,1,0,0,0,0|2,0,0]=3 3611 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [0,1,0,0,0,0|3,0,0]=4 3612 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [0,1,0,0,0,0|3,0,0]=4 3613 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [0,1,0,0,0,0|3,0,0]=4 3614 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|1,0,2]=4 3615 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,1,0,0,0,0|2,0,0]=3 3616 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,1,0,0,0,0|2,0,0]=3 3617 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,1,0,0,0,0|2,0,0]=3 3618 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [0,1,0,0,0,0|3,0,0]=4 3619 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [0,1,0,0,0,0|3,0,0]=4 3620 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [0,1,0,0,0,0|3,0,0]=4 3621 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [0,1,0,0,0,0|3,0,0]=4 3622 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [0,1,0,0,0,0|3,0,0]=4 3623 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,1,0,0,0,0|2,0,0]=3 3624 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,1,0,0,0,0|2,0,0]=3 3625 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,1,0,0,0,0|3,0,0]=4 3626 B9R0.46 CCOCCSC(C)OC 62a_100000210147_100009879195 [0,1,0,0,0,0|3,0,0]=4 3627 B9R0.46 CCOCCSC(C)OC 62a_100009879195_100011215890 [0,1,0,0,0,0|3,0,0]=4 3628 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,1,0,0,0,0|3,0,0]=4 3629 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,1,0,0,0,0|3,0,0]=4 3630 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,0,0,0,0|1,0,2]=4 3631 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,0,0,0,0|1,0,2]=4 3632 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,1,0,0,0,0|2,0,0]=3 3633 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,1,0,0,0,0|2,0,0]=3 3634 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,1,0,0,0,0|1,0,0]=2 3635 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,1,0,0,0,0|1,0,0]=2 3636 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,1,0,0,0,0|2,0,0]=3 3637 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,1,0,0,0,0|2,0,0]=3 3638 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,1,0,0,0,0|2,0,0]=3 3639 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,1,0,0,0,0|2,0,0]=3 3640 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [0,1,0,0,0,0|3,0,0]=4 3641 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [0,1,0,0,0,0|3,0,0]=4 3642 B9R0.46 CCOCSC[C@@H](O)CF 62a_100000739092_100015614560 [0,1,0,0,0,0|2,0,0]=3 3643 B9R0.46 CCOCSC[C@@H](O)CF 62a_100015614560_100000739092 [0,1,0,0,0,0|2,0,0]=3 3644 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,1,0,0,0,0|2,0,0]=3 3645 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,1,0,0,0,0|2,0,0]=3 3646 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|1,0,2]=4 3647 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|1,0,2]=4 3648 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|1,0,2]=4 3649 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|1,0,2]=4 3650 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,1,0,0,0,0|2,0,0]=3 3651 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|1,0,2]=4 3652 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|1,0,2]=4 3653 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|1,0,2]=4 3654 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|1,0,2]=4 3655 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [0,1,0,0,0,0|2,0,0]=3 3656 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [0,1,0,0,0,0|2,0,0]=3 3657 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [0,1,0,0,0,0|3,0,0]=4 3658 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [0,1,0,0,0,0|3,0,0]=4 3659 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,1,0,0,0,0|2,0,0]=3 3660 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,1,0,0,0,0|2,0,0]=3 3661 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,1,0,0,0,0|2,0,0]=3 3662 B9R0.46 CCSCCOC(C)CF 34a_100016041109_100000757381 [0,1,0,0,0,0|3,0,0]=4 3663 B9R0.46 CCSCCOC(C)CF 7a_100016041109_100000757381 [0,1,0,0,0,0|3,0,0]=4 3664 B9R0.46 CCSCCOC(C)CN 34a_100000210904_100000757381 [0,1,0,0,0,0|3,0,0]=4 3665 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [0,1,0,0,0,0|3,0,0]=4 3666 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [0,1,0,0,0,0|3,0,0]=4 3667 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [0,1,0,0,0,0|2,0,0]=3 3668 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [0,1,0,0,0,0|2,0,0]=3 3669 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [0,1,0,0,0,0|3,0,0]=4 3670 B9R0.46 CCSCCSC(C)OC 62a_100000757381_100009879195 [0,1,0,0,0,0|3,0,0]=4 3671 B9R0.46 CCSCCSC(C)OC 62a_100009879195_100000757381 [0,1,0,0,0,0|3,0,0]=4 3672 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [0,1,0,0,0,0|3,0,0]=4 3673 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [0,1,0,0,0,0|3,0,0]=4 3674 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,1,0,0,0,0|2,0,0]=3 3675 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,1,0,0,0,0|2,0,0]=3 3676 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,1,0,0,0,0|2,0,0]=3 3677 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,1,0,0,0,0|2,0,0]=3 3678 B9R0.46 CC[C@H](C)COCCC#N 7a_100009816381_100000184422 [0,1,0,0,0,0|2,0,1]=4 3679 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [0,1,0,0,0,0|2,0,0]=3 3680 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [0,1,0,0,0,0|2,0,0]=3 3681 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [0,1,0,0,0,0|2,0,0]=3 3682 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [0,1,0,0,0,0|2,0,0]=3 3683 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [0,1,0,0,0,0|2,0,0]=3 3684 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,1,0,0,0,0|2,0,0]=3 3685 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [0,1,0,0,0,0|2,0,0]=3 3686 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [0,1,0,0,0,0|2,0,0]=3 3687 B9R0.46 CC[C@H](C)COCCON 34a_100000700252_100009816398 [0,1,0,0,0,0|3,0,0]=4 3688 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,1,0,0,0,0|2,0,0]=3 3689 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,1,0,0,0,0|2,0,0]=3 3690 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,1,0,0,0,0|2,0,0]=3 3691 B9R0.46 CC[C@H](C)CSCCC#N 62a_100009816398_100011215226 [0,1,0,0,0,0|2,0,1]=4 3692 B9R0.46 CC[C@H](C)CSCCC#N 62a_100011215226_100009816398 [0,1,0,0,0,0|2,0,1]=4 3693 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [0,1,0,0,0,0|2,0,0]=3 3694 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [0,1,0,0,0,0|2,0,0]=3 3695 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,1,0,0,0,0|2,0,0]=3 3696 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,1,0,0,0,0|2,0,0]=3 3697 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,1,0,0,0,0|2,0,0]=3 3698 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,1,0,0,0,0|2,0,0]=3 3699 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,1,0,0,0,0|2,0,0]=3 3700 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,1,0,0,0,0|2,0,0]=3 3701 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [0,1,0,0,0,0|3,0,0]=4 3702 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|1,0,2]=4 3703 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|1,0,2]=4 3704 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|1,0,2]=4 3705 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|1,0,2]=4 3706 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [0,1,0,0,0,0|3,0,0]=4 3707 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|1,0,2]=4 3708 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|1,0,2]=4 3709 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|1,0,2]=4 3710 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|1,0,2]=4 3711 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|1,0,2]=4 3712 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|1,0,2]=4 3713 B9R0.46 COC(C)CCOCCF 7a_100000764861_100011217306 [0,1,0,0,0,0|3,0,0]=4 3714 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [0,1,0,0,0,0|3,0,0]=4 3715 B9R0.46 COC(C)COCCCF 34a_100000690652_100011934791 [0,1,0,0,0,0|3,0,0]=4 3716 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [0,1,0,0,0,0|3,0,0]=4 3717 B9R0.46 COC(C)COCCSC 34a_100000690652_100000212216 [0,1,0,0,0,0|3,0,0]=4 3718 B9R0.46 COC(C)SCCCCF 62a_100000729493_100009879195 [0,1,0,0,0,0|3,0,0]=4 3719 B9R0.46 COC(C)SCCCCF 62a_100009879195_100000729493 [0,1,0,0,0,0|3,0,0]=4 3720 B9R0.46 COC(C)SCCCCO 62a_100000210776_100009879195 [0,1,0,0,0,0|3,0,0]=4 3721 B9R0.46 COC(C)SCCCCO 62a_100009879195_100000210776 [0,1,0,0,0,0|3,0,0]=4 3722 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|1,0,2]=4 3723 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|1,0,2]=4 3724 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|1,0,2]=4 3725 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|1,0,2]=4 3726 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [0,1,0,0,0,0|3,0,0]=4 3727 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [0,1,0,0,0,0|3,0,0]=4 3728 B9R0.46 COCCCOC(C)CF 34a_100016041109_100000740836 [0,1,0,0,0,0|3,0,0]=4 3729 B9R0.46 COCCCOC(C)CF 7a_100016041109_100000740836 [0,1,0,0,0,0|3,0,0]=4 3730 B9R0.46 COCCCOC(C)CN 34a_100000210904_100000740836 [0,1,0,0,0,0|3,0,0]=4 3731 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [0,1,0,0,0,0|3,0,0]=4 3732 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [0,1,0,0,0,0|3,0,0]=4 3733 B9R0.46 COCCCSC(C)OC 62a_100000709357_100009879195 [0,1,0,0,0,0|3,0,0]=4 3734 B9R0.46 COCCCSC(C)OC 62a_100009879195_100000709357 [0,1,0,0,0,0|3,0,0]=4 3735 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [0,1,0,0,0,0|3,0,0]=4 3736 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [0,1,0,0,0,0|3,0,0]=4 3737 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [0,1,0,0,0,0|3,0,0]=4 3738 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,1,0,0,0,0|2,0,0]=3 3739 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [0,1,0,0,0,0|3,0,0]=4 3740 B9R0.46 COCCNC[C@@H](C)OC 2230a_100020591295_100011201679 [0,1,0,0,0,0|3,0,0]=4 3741 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [0,1,0,0,0,0|3,0,0]=4 3742 B9R0.46 COCCNC[C@@H](O)CF 2230a_100000209980_100015614560 [0,1,0,0,0,0|2,0,0]=3 3743 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,1,0,0,0,0|2,0,0]=3 3744 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,1,0,0,0,0|2,0,0]=3 3745 B9R0.46 COCCOCC(C)CN 34a_100000744482_100011201679 [0,1,0,0,0,0|3,0,0]=4 3746 B9R0.46 COCCOCC(C)OC 34a_100000690652_100011201679 [0,1,0,0,0,0|3,0,0]=4 3747 B9R0.46 COCCOCC(Cl)CCl 34a_100000033668_100011201679 [0,1,0,0,0,0|3,0,0]=4 3748 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,1,0,0,0,0|2,0,0]=3 3749 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [0,1,0,0,0,0|3,0,0]=4 3750 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [0,1,0,0,0,0|2,0,0]=3 3751 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,1,0,0,0,0|2,0,0]=3 3752 B9R0.46 COCCOC[C@H](F)CN 34a_100015665980_100011201679 [0,1,0,0,0,0|3,0,0]=4 3753 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,1,0,0,0,0|2,0,0]=3 3754 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,1,0,0,0,0|2,0,0]=3 3755 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [0,1,0,0,0,0|3,0,0]=4 3756 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [0,1,0,0,0,0|3,0,0]=4 3757 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [0,1,0,0,0,0|2,0,0]=3 3758 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [0,1,0,0,0,0|2,0,0]=3 3759 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,1,0,0,0,0|2,0,0]=3 3760 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,1,0,0,0,0|2,0,0]=3 3761 B9R0.46 COCNCCC(C)CO 2230a_106354213184_100000766300 [0,1,0,0,0,0|3,0,0]=4 3762 B9R0.46 CO[C@H](C)CNCCCF 2230a_100020591295_100011934791 [0,1,0,0,0,0|3,0,0]=4 3763 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [0,1,0,0,0,0|3,0,0]=4 3764 B9R0.46 CO[C@H](C)CNCCSC 2230a_100020591295_100000751147 [0,1,0,0,0,0|3,0,0]=4 3765 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [0,1,0,0,0,0|3,0,0]=4 3766 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [0,1,0,0,0,0|3,0,0]=4 3767 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [0,1,0,0,0,0|3,0,0]=4 3768 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [0,1,0,0,0,0|3,0,0]=4 3769 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [0,1,0,0,0,0|2,0,0]=3 3770 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [0,1,0,0,0,0|3,0,0]=4 3771 B9R0.46 CSCCNC[C@@H](F)CO 34a_100015665980_100000212216 [0,1,0,0,0,0|3,0,0]=4 3772 B9R0.46 CSCCNC[C@@H](O)CF 2230a_100020590264_100015614560 [0,1,0,0,0,0|2,0,0]=3 3773 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [0,1,0,0,0,0|2,0,0]=3 3774 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [0,1,0,0,0,0|2,0,0]=3 3775 B9R0.46 CSCCOCC(C)CN 34a_100000744482_100000212216 [0,1,0,0,0,0|3,0,0]=4 3776 B9R0.46 CSCCOCC(Cl)CCl 34a_100000033668_100000212216 [0,1,0,0,0,0|3,0,0]=4 3777 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,1,0,0,0,0|2,0,0]=3 3778 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,1,0,0,0,0|2,0,0]=3 3779 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [0,1,0,0,0,0|3,0,0]=4 3780 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [0,1,0,0,0,0|3,0,0]=4 3781 B9R0.46 CSCCOC[C@@H](O)CF 34a_100000230434_100015614560 [0,1,0,0,0,0|2,0,0]=3 3782 B9R0.46 CSCCOC[C@@H](O)CF 7a_100000230434_100015614560 [0,1,0,0,0,0|2,0,0]=3 3783 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,1,0,0,0,0|2,0,0]=3 3784 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,1,0,0,0,0|2,0,0]=3 3785 B9R0.46 CSCCOC[C@H](F)CN 34a_100015665980_100000212216 [0,1,0,0,0,0|3,0,0]=4 3786 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,1,0,0,0,0|2,0,0]=3 3787 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,1,0,0,0,0|2,0,0]=3 3788 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [0,1,0,0,0,0|3,0,0]=4 3789 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [0,1,0,0,0,0|3,0,0]=4 3790 B9R0.46 CSCCSC[C@@H](O)CF 62a_100000212216_100015614560 [0,1,0,0,0,0|2,0,0]=3 3791 B9R0.46 CSCCSC[C@@H](O)CF 62a_100015614560_100000751147 [0,1,0,0,0,0|2,0,0]=3 3792 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,1,0,0,0,0|2,0,0]=3 3793 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,1,0,0,0,0|2,0,0]=3 3794 B9R0.46 CSCNCCC(C)CO 2230a_106354213184_100011218213 [0,1,0,0,0,0|3,0,0]=4 3795 B9R0.46 CSCNCCC(C)CO 34a_106354213184_100011218213 [0,1,0,0,0,0|3,0,0]=4 3796 B9R0.46 C[C@@H](CN)CCCOCF 34a_100160569302_100015361967 [0,1,0,0,0,0|3,0,0]=4 3797 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [0,1,0,0,0,0|3,0,0]=4 3798 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [0,1,0,0,0,0|3,0,0]=4 3799 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [0,1,0,0,0,0|3,0,0]=4 3800 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [0,1,0,0,0,0|3,0,0]=4 3801 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [0,1,0,0,0,0|3,0,0]=4 3802 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [0,1,0,0,0,0|3,0,0]=4 3803 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [0,1,0,0,0,0|3,0,0]=4 3804 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [0,1,0,0,0,0|3,0,0]=4 3805 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,1,0,0,0,0|3,0,0]=4 3806 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,1,0,0,0,0|3,0,0]=4 3807 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [0,1,0,0,0,0|3,0,0]=4 3808 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,1,0,0,0,0|3,0,0]=4 3809 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [0,1,0,0,0,0|3,0,0]=4 3810 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [0,1,0,0,0,0|3,0,0]=4 3811 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,1,0,0,0,0|3,0,0]=4 3812 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,1,0,0,0,0|3,0,0]=4 3813 B9R0.46 FCCCOCC(Cl)CCl 34a_100000033668_100011934791 [0,1,0,0,0,0|3,0,0]=4 3814 B9R0.46 N#CCCNC[C@H](O)CO 2230a_100020644852_100011215226 [0,1,0,0,0,0|2,0,1]=4 3815 B9R0.46 N#CCCSCC(O)CO 62a_100011215226_100011219619 [0,1,0,0,0,0|2,0,1]=4 3816 B9R0.46 N#CCCSCC(O)CO 62a_100011219619_100011215226 [0,1,0,0,0,0|2,0,1]=4 3817 B9R0.46 N#CCCSC[C@@H](O)CF 62a_100011215226_100015614560 [0,1,0,0,0,0|2,0,1]=4 3818 B9R0.46 N#CCCSC[C@@H](O)CF 62a_100015614560_100011215226 [0,1,0,0,0,0|2,0,1]=4 3819 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100009815848_100011215226 [0,1,0,0,0,0|2,0,1]=4 3820 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100011215226_100009815848 [0,1,0,0,0,0|2,0,1]=4 3821 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,1,0,0,0,0|2,0,0]=3 3822 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [0,1,0,0,0,0|2,0,0]=3 3823 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,1,0,0,0,0|2,0,0]=3 3824 B9R0.46 NC[C@@H](F)COCCCF 34a_100015665980_100011934791 [0,1,0,0,0,0|3,0,0]=4 3825 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [0,1,0,0,0,0|3,0,0]=4 3826 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [0,1,0,0,0,0|3,0,0]=4 3827 B9R0.46 NOCCOC[C@@H](O)CF 34a_100000700252_100015614560 [0,1,0,0,0,0|3,0,0]=4 3828 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [0,1,0,0,0,0|3,0,0]=4 3829 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|1,0,2]=4 3830 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|1,0,2]=4 3831 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|1,0,2]=4 3832 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [0,1,0,0,0,0|2,0,0]=3 3833 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [0,1,0,0,0,0|2,0,0]=3 3834 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [0,1,0,0,0,0|2,0,0]=3 3835 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [0,1,0,0,0,0|2,0,0]=3 3836 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [0,1,0,0,0,0|2,0,0]=3 3837 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,1,0,0,0,0|2,0,0]=3 3838 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,1,0,0,0,0|2,0,0]=3 3839 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [0,1,0,0,0,0|3,0,0]=4 3840 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,1,0,0,0,0|2,0,0]=3 3841 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [0,1,0,0,0,0|3,0,0]=4 3842 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,1,0,0,0,0|2,0,0]=3 3843 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,1,0,0,0,0|2,0,0]=3 3844 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,1,0,0,0,0|2,0,0]=3 3845 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,1,0,0,0,0|2,0,0]=3 3846 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,1,0,0,0,0|2,0,0]=3 3847 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,1,0,0,0,0|2,0,0]=3 3848 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [0,1,0,0,0,0|2,0,0]=3 3849 B9R0.46 OC[C@H](F)CNCCCF 34a_100015665980_100011934791 [0,1,0,0,0,0|3,0,0]=4 3850 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [0,1,0,0,0,0|2,0,0]=3 3851 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [0,1,0,0,0,0|2,0,0]=3 3852 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [0,1,0,0,0,0|2,0,0]=3 3853 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [0,1,0,0,0,0|2,0,0]=3 3854 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [0,1,0,0,0,0|2,0,0]=3 3855 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,1,0,0,0,0|2,0,0]=3 3856 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,1,0,0,0,0|2,0,0]=3 3857 B9R0.46 O[C@@H](CF)CNCCCF 2230a_100015189416_100015614560 [0,1,0,0,0,0|2,0,0]=3 3858 B9R0.46 O[C@@H](CF)CNCCCF 34a_100015189416_100015614560 [0,1,0,0,0,0|2,0,0]=3 3859 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [0,1,0,0,0,0|2,0,0]=3 3860 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [0,1,0,0,0,0|2,0,0]=3 3861 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [0,1,0,0,0,0|2,0,0]=3 3862 B9R0.46 O[C@@H](CF)CSCCCF 62a_100011934791_100015614560 [0,1,0,0,0,0|2,0,0]=3 3863 B9R0.46 O[C@@H](CF)CSCCCF 62a_100015614560_100011934791 [0,1,0,0,0,0|2,0,0]=3 3864 B9R0.47 C#CCNCC(O)C(C)C 2230a_100000759067_100000038162 [0,1,0,0,0,0|1,0,2]=4 3865 B9R0.47 C#CCNCC(O)C(C)C 34a_100000759067_100000184674 [0,1,0,0,0,0|1,0,2]=4 3866 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|0,0,3]=4 3867 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,0,0,0,0|2,0,1]=4 3868 B9R0.47 C=CCNCC(O)C(C)C 2230a_100000759067_100000210623 [0,1,0,0,0,0|1,0,2]=4 3869 B9R0.47 C=CCNCC(O)C(C)C 34a_100000759067_100015514636 [0,1,0,0,0,0|1,0,2]=4 3870 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,0,0,0,0|1,0,2]=4 3871 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,0,0,0,0|1,0,2]=4 3872 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,0,0,0,0|1,0,2]=4 3873 B9R0.47 CC(C)C(C)NCCCF 2230a_100000211541_100011934791 [0,1,0,0,0,0|3,0,0]=4 3874 B9R0.47 CC(C)C(C)NCCCO 2230a_100000211541_100000230001 [0,1,0,0,0,0|3,0,0]=4 3875 B9R0.47 CC(C)C(C)OCCCF 7a_100000748068_100011934791 [0,1,0,0,0,0|3,0,0]=4 3876 B9R0.47 CC(C)C(C)OCCCO 7a_100000748068_100011215043 [0,1,0,0,0,0|3,0,0]=4 3877 B9R0.47 CC(C)C(N)CCOCF 34a_100161115045_100015361967 [0,1,0,0,0,0|3,0,0]=4 3878 B9R0.47 CC(C)C(O)CNCC#N 2230a_100000759067_100011215382 [0,1,0,0,0,0|2,0,1]=4 3879 B9R0.47 CC(C)C(O)CNCC=O 2230a_100000759067_200015260668 [0,1,0,0,0,0|2,0,1]=4 3880 B9R0.47 CC(C)C(O)CNCC=O 34a_100000759067_200009817547 [0,1,0,0,0,0|2,0,1]=4 3881 B9R0.47 CC(C)C(O)CNCCF 2230a_100000759067_100011217306 [0,1,0,0,0,0|2,0,0]=3 3882 B9R0.47 CC(C)C(O)CNCCF 34a_100000759067_100011217306 [0,1,0,0,0,0|2,0,0]=3 3883 B9R0.47 CC(C)C(O)CNCCO 2230a_100000759067_100000211926 [0,1,0,0,0,0|2,0,0]=3 3884 B9R0.47 CC(C)C(O)CNCCO 34a_100000759067_100000211926 [0,1,0,0,0,0|2,0,0]=3 3885 B9R0.47 CC(C)N(C)CCCCF 269982a_200000211004_100000729493 [0,1,0,0,0,0|3,0,0]=4 3886 B9R0.47 CC(C)N(C)CCCCO 2230a_100000717598_100000210206 [0,1,0,0,0,0|3,0,0]=4 3887 B9R0.47 CC(C)N(C)CCCCO 2230a_100011521146_200000210301 [0,1,0,0,0,0|3,0,0]=4 3888 B9R0.47 CC(C)N(C)CCCCO 269982a_100000717598_100000210206 [0,1,0,0,0,0|3,0,0]=4 3889 B9R0.47 CC(C)N(C)CCCCO 269982a_100011521146_200000210301 [0,1,0,0,0,0|3,0,0]=4 3890 B9R0.47 CC(C)N(C)CCCCO 269982a_200000211004_100000210776 [0,1,0,0,0,0|3,0,0]=4 3891 B9R0.47 CC(C)N([13CH3])CCCCO 2230a_100011521146_200025704644 [0,1,0,0,0,0|3,0,0]=4 3892 B9R0.47 CC(C)N([13CH3])CCCCO 269982a_100011521146_200025704644 [0,1,0,0,0,0|3,0,0]=4 3893 B9R0.47 CC(C)[C@@H](N)COCCF 34a_100011830312_100011217306 [0,1,0,0,0,0|3,0,0]=4 3894 B9R0.47 CC(C)[C@@H](N)COCCO 34a_100011830312_100000211926 [0,1,0,0,0,0|3,0,0]=4 3895 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,0,0,0,0|1,0,2]=4 3896 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,0,0,0,0|1,0,2]=4 3897 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|0,0,2]=3 3898 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|0,0,2]=3 3899 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|0,0,2]=3 3900 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|1,0,2]=4 3901 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|1,0,2]=4 3902 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|1,0,2]=4 3903 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|1,0,2]=4 3904 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|1,0,2]=4 3905 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|0,0,2]=3 3906 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|0,0,2]=3 3907 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|1,0,1]=3 3908 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|1,0,1]=3 3909 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|1,0,1]=3 3910 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,1,0,0,0,0|2,0,0]=3 3911 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,1,0,0,0,0|2,0,0]=3 3912 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,1,0,0,0,0|2,0,0]=3 3913 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 3914 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 3915 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|2,0,1]=4 3916 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|2,0,1]=4 3917 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,1,0,0,0,0|2,0,0]=3 3918 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,1,0,0,0,0|2,0,0]=3 3919 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,1,0,0,0,0|2,0,0]=3 3920 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,1,0,0,0,0|2,0,0]=3 3921 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,1,0,0,0,0|2,0,0]=3 3922 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,1,0,0,0,0|2,0,0]=3 3923 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,1,0,0,0,0|2,0,0]=3 3924 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|1,0,2]=4 3925 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|1,0,2]=4 3926 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|1,0,2]=4 3927 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|1,0,2]=4 3928 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|1,0,2]=4 3929 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|1,0,2]=4 3930 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|1,0,2]=4 3931 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|1,0,2]=4 3932 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|1,0,2]=4 3933 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|1,0,2]=4 3934 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|1,0,2]=4 3935 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|2,0,1]=4 3936 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|2,0,1]=4 3937 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,1,0,0,0,0|2,0,0]=3 3938 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|2,0,1]=4 3939 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|2,0,1]=4 3940 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,1,0,0,0,0|2,0,0]=3 3941 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|2,0,1]=4 3942 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|2,0,1]=4 3943 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|2,0,1]=4 3944 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|2,0,1]=4 3945 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,1,0,0,0,0|1,0,0]=2 3946 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,1,0,0,0,0|1,0,0]=2 3947 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,0,0,0,0|1,0,2]=4 3948 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,0,0,0,0|1,0,2]=4 3949 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|2,0,1]=4 3950 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|2,0,1]=4 3951 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,1,0,0,0,0|2,0,0]=3 3952 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,0,0,0,0|1,0,2]=4 3953 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,0,0,0,0|1,0,2]=4 3954 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,0,0,0,0|1,0,2]=4 3955 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,1,0,0,0,0|3,0,0]=4 3956 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,1,0,0,0,0|1,0,2]=4 3957 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,1,0,0,0,0|1,0,2]=4 3958 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,1,0,0,0,0|1,0,2]=4 3959 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|1,0,2]=4 3960 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|1,0,2]=4 3961 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [0,1,0,0,0,0|3,0,0]=4 3962 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,1,0,0,0,0|2,0,0]=3 3963 B9R0.47 CCOCCN(C)C(C)C 269982a_200000211004_100011215890 [0,1,0,0,0,0|3,0,0]=4 3964 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,0,0,0,0|1,0,2]=4 3965 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,0,0,0,0|1,0,2]=4 3966 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,0,0,0,0|1,0,2]=4 3967 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|1,0,2]=4 3968 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|1,0,2]=4 3969 B9R0.47 CCSCCN(C)C(C)C 269982a_200000211004_100000757381 [0,1,0,0,0,0|3,0,0]=4 3970 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,0,0,0,0|1,0,2]=4 3971 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,0,0,0,0|1,0,2]=4 3972 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,1,0,0,0,0|1,0,2]=4 3973 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|1,0,2]=4 3974 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|1,0,2]=4 3975 B9R0.47 COCCCN(C)C(C)C 2230a_100000224831_100000210206 [0,1,0,0,0,0|3,0,0]=4 3976 B9R0.47 COCCCN(C)C(C)C 269982a_100000224831_100000210206 [0,1,0,0,0,0|3,0,0]=4 3977 B9R0.47 COCCCN(C)C(C)C 269982a_200000211004_100000740836 [0,1,0,0,0,0|3,0,0]=4 3978 B9R0.47 COCCNC(C)C(C)C 2230a_100000211541_100011201679 [0,1,0,0,0,0|3,0,0]=4 3979 B9R0.47 COCCOC(C)C(C)C 7a_100000748068_100000233755 [0,1,0,0,0,0|3,0,0]=4 3980 B9R0.47 COCNCC(O)C(C)C 2230a_100000759067_100000766300 [0,1,0,0,0,0|2,0,0]=3 3981 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|1,0,2]=4 3982 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [0,1,0,0,0,0|3,0,0]=4 3983 B9R0.47 CSCCNC(C)C(C)C 2230a_100000211541_100000751147 [0,1,0,0,0,0|3,0,0]=4 3984 B9R0.47 CSCCOC(C)C(C)C 7a_100000748068_100000212216 [0,1,0,0,0,0|3,0,0]=4 3985 B9R0.47 CSCNCC(O)C(C)C 2230a_100000759067_100011218213 [0,1,0,0,0,0|2,0,0]=3 3986 B9R0.47 CSCNCC(O)C(C)C 34a_100000759067_100011218213 [0,1,0,0,0,0|2,0,0]=3 3987 B9R0.47 CSCOC[C@H](N)C(C)C 34a_100011830312_100011218213 [0,1,0,0,0,0|3,0,0]=4 3988 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|1,0,2]=4 3989 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|1,0,2]=4 3990 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|1,0,2]=4 3991 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|1,0,2]=4 3992 B9R0.50 C#CC(CC)OCCCC 34a_100000758843_100000210210 [0,1,0,0,0,0|2,0,0]=3 3993 B9R0.50 C#CC(CC)OCCCC 7a_100000758843_100000210211 [0,1,0,0,0,0|2,0,0]=3 3994 B9R0.50 C#CC(CC)OCCCF 34a_100000758843_100011934791 [0,1,0,0,0,0|3,0,0]=4 3995 B9R0.50 C#CC(CC)OCCCF 7a_100000758843_100011934791 [0,1,0,0,0,0|3,0,0]=4 3996 B9R0.50 C#CC(CC)OCCCO 34a_100000758843_100000230001 [0,1,0,0,0,0|3,0,0]=4 3997 B9R0.50 C#CC(CC)OCCCO 7a_100000758843_100011215043 [0,1,0,0,0,0|3,0,0]=4 3998 B9R0.50 C#CC(CC)OCCOC 34a_100000758843_100011201679 [0,1,0,0,0,0|3,0,0]=4 3999 B9R0.50 C#CC(CC)OCCOC 7a_100000758843_100000233755 [0,1,0,0,0,0|3,0,0]=4 4000 B9R0.50 C#CC(CC)OCCSC 34a_100000758843_100000212216 [0,1,0,0,0,0|3,0,0]=4 4001 B9R0.50 C#CC(CC)OCCSC 7a_100000758843_100000212216 [0,1,0,0,0,0|3,0,0]=4 4002 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [0,1,0,0,0,0|0,0,2]=3 4003 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [0,1,0,0,0,0|0,0,2]=3 4004 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [0,1,0,0,0,0|0,0,2]=3 4005 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [0,1,0,0,0,0|0,0,2]=3 4006 B9R0.50 C#CCCN[C@@H](CC)CO 2230a_100000709445_100000688953 [0,1,0,0,0,0|1,0,2]=4 4007 B9R0.50 C#CCOCC(CC)OC 34a_100011934954_100000184674 [0,1,0,0,0,0|1,0,2]=4 4008 B9R0.50 C#CCOCC(CC)OC 7a_100011934954_100000038162 [0,1,0,0,0,0|1,0,2]=4 4009 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [0,1,0,0,0,0|2,0,0]=3 4010 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [0,1,0,0,0,0|2,0,0]=3 4011 B9R0.50 C=CC(CC)OCCCF 34a_100000766422_100011934791 [0,1,0,0,0,0|3,0,0]=4 4012 B9R0.50 C=CC(CC)OCCCF 7a_100000766422_100011934791 [0,1,0,0,0,0|3,0,0]=4 4013 B9R0.50 C=CC(CC)OCCCO 34a_100000766422_100000230001 [0,1,0,0,0,0|3,0,0]=4 4014 B9R0.50 C=CC(CC)OCCCO 7a_100000766422_100011215043 [0,1,0,0,0,0|3,0,0]=4 4015 B9R0.50 C=CC(CC)OCCOC 34a_100000766422_100011201679 [0,1,0,0,0,0|3,0,0]=4 4016 B9R0.50 C=CC(CC)OCCOC 7a_100000766422_100000233755 [0,1,0,0,0,0|3,0,0]=4 4017 B9R0.50 C=CC(CC)OCCSC 34a_100000766422_100000212216 [0,1,0,0,0,0|3,0,0]=4 4018 B9R0.50 C=CC(CC)OCCSC 7a_100000766422_100000212216 [0,1,0,0,0,0|3,0,0]=4 4019 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,1,0,0,0,0|0,0,2]=3 4020 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,1,0,0,0,0|0,0,2]=3 4021 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,1,0,0,0,0|0,0,2]=3 4022 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,1,0,0,0,0|0,0,2]=3 4023 B9R0.50 C=CCCN[C@@H](CC)CO 2230a_100000709445_100000754431 [0,1,0,0,0,0|1,0,2]=4 4024 B9R0.50 C=CCOCC(CC)OC 34a_100011934954_100015514636 [0,1,0,0,0,0|1,0,2]=4 4025 B9R0.50 C=CCOCC(CC)OC 7a_100011934954_100015514636 [0,1,0,0,0,0|1,0,2]=4 4026 B9R0.50 C=C[C@@H](CO)NCCCC 2230a_100016989147_100000210211 [0,1,0,0,0,0|1,0,2]=4 4027 B9R0.50 C=C[C@@H](CO)NCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|1,0,2]=4 4028 B9R0.50 CC#CCN[C@@H](CC)CO 2230a_100000709445_100000748600 [0,1,0,0,0,0|1,0,2]=4 4029 B9R0.50 CC=CCN[C@@H](CC)CO 2230a_100000709445_100000070051 [0,1,0,0,0,0|1,0,2]=4 4030 B9R0.50 CCC(CC)CNCCF 2230a_100102946423_100011217306 [0,1,0,0,0,0|3,0,0]=4 4031 B9R0.50 CCC(CC)CNCCF 269862a_100000724931_100000211137 [0,1,0,0,0,0|3,0,0]=4 4032 B9R0.50 CCC(CC)CNCCF 34a_100000724931_100011215472 [0,1,0,0,0,0|3,0,0]=4 4033 B9R0.50 CCC(CC)CNCCO 2230a_100016997473_100011215472 [0,1,0,0,0,0|3,0,0]=4 4034 B9R0.50 CCC(CC)CNCCO 2230a_100102946423_100000211926 [0,1,0,0,0,0|3,0,0]=4 4035 B9R0.50 CCC(CC)CNCCO 269862a_100000210304_100000211137 [0,1,0,0,0,0|3,0,0]=4 4036 B9R0.50 CCC(CC)CNCCO 270004a_100000210304_100000211137 [0,1,0,0,0,0|3,0,0]=4 4037 B9R0.50 CCC(CC)CNCCO 34a_100016990907_100011215472 [0,1,0,0,0,0|3,0,0]=4 4038 B9R0.50 CCC(CC)CNCOC 2230a_100102946423_100000766300 [0,1,0,0,0,0|3,0,0]=4 4039 B9R0.50 CCC(CC)CNCSC 2230a_100102946423_100011218213 [0,1,0,0,0,0|3,0,0]=4 4040 B9R0.50 CCC(CC)COCCBr 34a_100000211926_100011215472 [0,1,0,0,0,0|3,0,0]=4 4041 B9R0.50 CCC(CC)COCCF 7a_100000703878_100011217306 [0,1,0,0,0,0|3,0,0]=4 4042 B9R0.50 CCC(CC)COCCN 34a_100000210304_100011215472 [0,1,0,0,0,0|3,0,0]=4 4043 B9R0.50 CCC(CC)COCCO 7a_100000703878_100000211926 [0,1,0,0,0,0|3,0,0]=4 4044 B9R0.50 CCC(CC)CSCCF 62a_100011215472_100011217306 [0,1,0,0,0,0|3,0,0]=4 4045 B9R0.50 CCC(CC)CSCCF 62a_100011217306_100011215472 [0,1,0,0,0,0|3,0,0]=4 4046 B9R0.50 CCC(CC)CSCCO 62a_100000211926_100011215472 [0,1,0,0,0,0|3,0,0]=4 4047 B9R0.50 CCC(CC)CSCCO 62a_100011215472_100000211926 [0,1,0,0,0,0|3,0,0]=4 4048 B9R0.50 CCC(CC)CSCOC 62a_100000766300_100011215472 [0,1,0,0,0,0|3,0,0]=4 4049 B9R0.50 CCC(CC)CSCOC 62a_100011215472_100000766300 [0,1,0,0,0,0|3,0,0]=4 4050 B9R0.50 CCC(CC)CSCSC 62a_100011215472_100011218213 [0,1,0,0,0,0|3,0,0]=4 4051 B9R0.50 CCC(CC)CSCSC 62a_100011218213_100011215472 [0,1,0,0,0,0|3,0,0]=4 4052 B9R0.50 CCC(CC)NCCCF 2230a_100000199018_100011934791 [0,1,0,0,0,0|3,0,0]=4 4053 B9R0.50 CCC(CC)NCCCF 270004a_100015189416_100000210860 [0,1,0,0,0,0|3,0,0]=4 4054 B9R0.50 CCC(CC)NCCCO 2230a_100000199018_100000230001 [0,1,0,0,0,0|3,0,0]=4 4055 B9R0.50 CCC(CC)NCCCO 270004a_100000182051_100000210860 [0,1,0,0,0,0|3,0,0]=4 4056 B9R0.50 CCC(CC)NCCOC 2230a_100000199018_100011201679 [0,1,0,0,0,0|3,0,0]=4 4057 B9R0.50 CCC(CC)NCCOC 270004a_100000209980_100000210860 [0,1,0,0,0,0|3,0,0]=4 4058 B9R0.50 CCC(CC)NCCSC 2230a_100000199018_100000751147 [0,1,0,0,0,0|3,0,0]=4 4059 B9R0.50 CCC(CC)NCCSC 270004a_100020590264_100000210860 [0,1,0,0,0,0|3,0,0]=4 4060 B9R0.50 CCC(CC)OCCCF 7a_100000688536_100011934791 [0,1,0,0,0,0|3,0,0]=4 4061 B9R0.50 CCC(CC)OCCCO 7a_100000688536_100011215043 [0,1,0,0,0,0|3,0,0]=4 4062 B9R0.50 CCC(CC)OCCOC 7a_100000688536_100000233755 [0,1,0,0,0,0|3,0,0]=4 4063 B9R0.50 CCC(CC)OCCSC 7a_100000230434_100000210505 [0,1,0,0,0,0|3,0,0]=4 4064 B9R0.50 CCC(CC)OCCSC 7a_100000688536_100000212216 [0,1,0,0,0,0|3,0,0]=4 4065 B9R0.50 CCC(CC)SCCCF 62a_100000210505_100011934791 [0,1,0,0,0,0|3,0,0]=4 4066 B9R0.50 CCC(CC)SCCCF 62a_100011934791_100000210505 [0,1,0,0,0,0|3,0,0]=4 4067 B9R0.50 CCC(CC)SCCCO 62a_100000210505_100011215043 [0,1,0,0,0,0|3,0,0]=4 4068 B9R0.50 CCC(CC)SCCCO 62a_100011215043_100000210505 [0,1,0,0,0,0|3,0,0]=4 4069 B9R0.50 CCC(CC)SCCOC 62a_100000210505_100000233755 [0,1,0,0,0,0|3,0,0]=4 4070 B9R0.50 CCC(CC)SCCOC 62a_100000233755_100000210505 [0,1,0,0,0,0|3,0,0]=4 4071 B9R0.50 CCC(CC)SCCSC 62a_100000210505_100000751147 [0,1,0,0,0,0|3,0,0]=4 4072 B9R0.50 CCC(CC)SCCSC 62a_100000212216_100000210505 [0,1,0,0,0,0|3,0,0]=4 4073 B9R0.50 CCC(COCC#N)OC 7a_100011934954_100011215382 [0,1,0,0,0,0|2,0,1]=4 4074 B9R0.50 CCC(COCC=O)OC 34a_100011934954_200009817547 [0,1,0,0,0,0|2,0,1]=4 4075 B9R0.50 CCC(COCC=O)OC 7a_100011934954_200015260668 [0,1,0,0,0,0|2,0,1]=4 4076 B9R0.50 CCC(COCCF)OC 34a_100011934954_100011217306 [0,1,0,0,0,0|2,0,0]=3 4077 B9R0.50 CCC(COCCF)OC 7a_100011934954_100011217306 [0,1,0,0,0,0|2,0,0]=3 4078 B9R0.50 CCC(COCCO)OC 34a_100011934954_100000211926 [0,1,0,0,0,0|2,0,0]=3 4079 B9R0.50 CCC(COCCO)OC 7a_100011934954_100000211926 [0,1,0,0,0,0|2,0,0]=3 4080 B9R0.50 CCC(COCSC)OC 34a_100011934954_100011218213 [0,1,0,0,0,0|2,0,0]=3 4081 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [0,1,0,0,0,0|1,0,0]=2 4082 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [0,1,0,0,0,0|0,0,0]=1 4083 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [0,1,0,0,0,0|0,0,0]=1 4084 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [0,1,0,0,0,0|0,0,0]=1 4085 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [0,1,0,0,0,0|0,0,0]=1 4086 B9R0.50 CCCCCN(CC)CC 2230a_100000724800_100000210326 [0,1,0,0,0,0|2,0,0]=3 4087 B9R0.50 CCCCCN(CC)CC 269956a_100000042499_100000210326 [0,1,0,0,0,0|2,0,0]=3 4088 B9R0.50 CCCCCN(CC)CC 269982a_100000724800_100000210215 [0,1,0,0,0,0|2,0,0]=3 4089 B9R0.50 CCCCNC(CC)CC 2230a_100000199018_100000210211 [0,1,0,0,0,0|2,0,0]=3 4090 B9R0.50 CCCCNC(CC)CC 270004a_100000102301_100000210860 [0,1,0,0,0,0|2,0,0]=3 4091 B9R0.50 CCCCNC(CC)CC 7a_106832991798_100000210505 [0,1,0,0,0,0|2,0,0]=3 4092 B9R0.50 CCCCNC(CO)CO 2230a_100000759517_100000210211 [0,1,0,0,0,0|2,0,0]=3 4093 B9R0.50 CCCCN[C@@H](CC)CO 2230a_100000709445_100000210211 [0,1,0,0,0,0|1,0,0]=2 4094 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [0,1,0,0,0,0|2,0,0]=3 4095 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [0,1,0,0,0,0|2,0,0]=3 4096 B9R0.50 CCCCOC(CCl)CCl 7a_100000737055_100000210211 [0,1,0,0,0,0|3,0,0]=4 4097 B9R0.50 CCCCOC(CF)CF 34a_100000032261_100000210210 [0,1,0,0,0,0|3,0,0]=4 4098 B9R0.50 CCCCOC(CF)CF 7a_100000032261_100000210211 [0,1,0,0,0,0|3,0,0]=4 4099 B9R0.50 CCCCOC(CN)CN 34a_100000031598_100000210210 [0,1,0,0,0,0|3,0,0]=4 4100 B9R0.50 CCCCO[C@@H](CF)CCl 34a_100015614560_100000210210 [0,1,0,0,0,0|3,0,0]=4 4101 B9R0.50 CCCCO[C@@H](CF)CCl 7a_100015614560_100000210211 [0,1,0,0,0,0|3,0,0]=4 4102 B9R0.50 CCCCSC(CC)CC 62a_100000210211_100000210505 [0,1,0,0,0,0|2,0,0]=3 4103 B9R0.50 CCCCSC(CC)CC 62a_100000210505_100000210210 [0,1,0,0,0,0|2,0,0]=3 4104 B9R0.50 CCCNCC(CC)CC 2230a_100102946423_100000210303 [0,1,0,0,0,0|2,0,0]=3 4105 B9R0.50 CCCNCC(CC)CC 269862a_100020643023_100000211137 [0,1,0,0,0,0|2,0,0]=3 4106 B9R0.50 CCCNCC(CC)CC 270004a_100020643023_100000211137 [0,1,0,0,0,0|2,0,0]=3 4107 B9R0.50 CCCNCC(OC)OC 270004a_100020643023_100000752162 [0,1,0,0,0,0|2,0,0]=3 4108 B9R0.50 CCCNN=C(CC)CO 4a_100000740057_100000725409 [0,1,0,0,0,0|2,0,1]=4 4109 B9R0.50 CCCOCC(CC)CC 34a_100000210258_100011215472 [0,1,0,0,0,0|2,0,0]=3 4110 B9R0.50 CCCOCC(CC)CC 7a_100000703878_100000210303 [0,1,0,0,0,0|2,0,0]=3 4111 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [0,1,0,0,0,0|1,0,0]=2 4112 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [0,1,0,0,0,0|1,0,0]=2 4113 B9R0.50 CCCOCC(OC)OC 34a_100000210258_100000211822 [0,1,0,0,0,0|2,0,0]=3 4114 B9R0.50 CCCOCC(OC)OC 34a_100011216393_100000210303 [0,1,0,0,0,0|2,0,0]=3 4115 B9R0.50 CCCOCN(CC)CC 7a_200015374951_100000210303 [0,1,0,0,0,0|3,0,0]=4 4116 B9R0.50 CCCSCC(CC)CC 62a_100000210303_100011215472 [0,1,0,0,0,0|2,0,0]=3 4117 B9R0.50 CCCSCC(CC)CC 62a_100011215472_100000210303 [0,1,0,0,0,0|2,0,0]=3 4118 B9R0.50 CCCSCC(OC)OC 62a_100000210303_100000751394 [0,1,0,0,0,0|2,0,0]=3 4119 B9R0.50 CCCSCC(OC)OC 62a_100000751394_100000210303 [0,1,0,0,0,0|2,0,0]=3 4120 B9R0.50 CCN(CC)CCCCF 2230a_100000724800_100000729493 [0,1,0,0,0,0|3,0,0]=4 4121 B9R0.50 CCN(CC)CCCCF 269956a_100000042499_100000729493 [0,1,0,0,0,0|3,0,0]=4 4122 B9R0.50 CCN(CC)CCCCF 269982a_100000724800_100000729493 [0,1,0,0,0,0|3,0,0]=4 4123 B9R0.50 CCN(CC)CCCCO 2230a_100000724800_100000210776 [0,1,0,0,0,0|3,0,0]=4 4124 B9R0.50 CCN(CC)CCCCO 2230a_100011217355_100000210202 [0,1,0,0,0,0|3,0,0]=4 4125 B9R0.50 CCN(CC)CCCCO 269956a_100000042499_100000210776 [0,1,0,0,0,0|3,0,0]=4 4126 B9R0.50 CCN(CC)CCCCO 269982a_100000724800_100000210776 [0,1,0,0,0,0|3,0,0]=4 4127 B9R0.50 CCN(CC)CCCCO 269982a_100011217355_100000204670 [0,1,0,0,0,0|3,0,0]=4 4128 B9R0.50 CCN(CC)CCCNC 2230a_106832991635_100000709985 [0,1,0,0,0,0|3,0,0]=4 4129 B9R0.50 CCN(CC)CCCNC 7a_106832991635_100000709985 [0,1,0,0,0,0|3,0,0]=4 4130 B9R0.50 CCN(CC)CCCOC 2230a_100000724800_100000740836 [0,1,0,0,0,0|3,0,0]=4 4131 B9R0.50 CCN(CC)CCCOC 269956a_100000042499_100000740836 [0,1,0,0,0,0|3,0,0]=4 4132 B9R0.50 CCN(CC)CCCOC 269982a_100000724800_100000740836 [0,1,0,0,0,0|3,0,0]=4 4133 B9R0.50 CCN(CC)CCCOC 7a_100000212844_200000210301 [0,1,0,0,0,0|3,0,0]=4 4134 B9R0.50 CCN(CC)CCCO[13CH3] 7a_100000212844_200025704644 [0,1,0,0,0,0|3,0,0]=4 4135 B9R0.50 CCN(CC)CCCSC 62a_200000210301_100000709985 [0,1,0,0,0,0|3,0,0]=4 4136 B9R0.50 CCN(CC)CCCS[13CH3] 62a_200025704644_100000709985 [0,1,0,0,0,0|3,0,0]=4 4137 B9R0.50 CCN(CF)CCCCO 269982a_100011217355_100015361967 [0,1,0,0,0,0|3,0,0]=4 4138 B9R0.50 CCNCCC(OC)OC 2230a_100015525214_100009813347 [0,1,0,0,0,0|2,0,0]=3 4139 B9R0.50 CCNCCN(CC)CC 2230a_100015382049_100000210202 [0,1,0,0,0,0|3,0,0]=4 4140 B9R0.50 CCNCCN(CC)CC 2230a_100015525214_100000700428 [0,1,0,0,0,0|3,0,0]=4 4141 B9R0.50 CCOCCC(OC)OC 34a_100121572206_100000139399 [0,1,0,0,0,0|2,0,0]=3 4142 B9R0.50 CCOCCN(CC)CC 2230a_100000724800_100011215890 [0,1,0,0,0,0|3,0,0]=4 4143 B9R0.50 CCOCCN(CC)CC 269956a_100000042499_100000210147 [0,1,0,0,0,0|3,0,0]=4 4144 B9R0.50 CCOCCN(CC)CC 269982a_100000724800_100011215890 [0,1,0,0,0,0|3,0,0]=4 4145 B9R0.50 CCOCCN(CC)CC 7a_100016990331_100000210202 [0,1,0,0,0,0|3,0,0]=4 4146 B9R0.50 CCOCSC(CC)CC 62a_100000210505_100000739092 [0,1,0,0,0,0|3,0,0]=4 4147 B9R0.50 CCOCSC(CC)CC 62a_100000739092_100000210505 [0,1,0,0,0,0|3,0,0]=4 4148 B9R0.50 CCSCCC(OC)OC 62a_100000139399_100000210202 [0,1,0,0,0,0|2,0,0]=3 4149 B9R0.50 CCSCCC(OC)OC 62a_100000210202_100000139399 [0,1,0,0,0,0|2,0,0]=3 4150 B9R0.50 CCSCCN(CC)CC 2230a_100000724800_100000757381 [0,1,0,0,0,0|3,0,0]=4 4151 B9R0.50 CCSCCN(CC)CC 269956a_100000042499_100000757381 [0,1,0,0,0,0|3,0,0]=4 4152 B9R0.50 CCSCCN(CC)CC 269982a_100000724800_100000757381 [0,1,0,0,0,0|3,0,0]=4 4153 B9R0.50 CCSCCN(CC)CC 62a_100000210202_100000700428 [0,1,0,0,0,0|3,0,0]=4 4154 B9R0.50 CC[C@@H](CO)NCCC#N 2230a_100000709445_100011215226 [0,1,0,0,0,0|2,0,1]=4 4155 B9R0.50 CC[C@@H](CO)NCCCF 2230a_100000709445_100011934791 [0,1,0,0,0,0|2,0,0]=3 4156 B9R0.50 CC[C@@H](CO)NCCCO 2230a_100000709445_100000230001 [0,1,0,0,0,0|2,0,0]=3 4157 B9R0.50 CC[C@@H](CO)NCCOC 2230a_100000709445_100011201679 [0,1,0,0,0,0|2,0,0]=3 4158 B9R0.50 CC[C@@H](CO)NCCSC 2230a_100000709445_100000751147 [0,1,0,0,0,0|2,0,0]=3 4159 B9R0.50 CNCCCC(OC)OC 2230a_106832991635_100000069011 [0,1,0,0,0,0|2,0,0]=3 4160 B9R0.50 CNCCCC(OC)OC 34a_100102657272_100000069011 [0,1,0,0,0,0|2,0,0]=3 4161 B9R0.50 CNCCCC(OC)OC 7a_106832991635_100000069011 [0,1,0,0,0,0|2,0,0]=3 4162 B9R0.50 COC(CCCSC)OC 62a_100000069011_200000210301 [0,1,0,0,0,0|2,0,0]=3 4163 B9R0.50 COC(CCCSC)OC 62a_200000210301_100000069011 [0,1,0,0,0,0|2,0,0]=3 4164 B9R0.50 COC(CCCS[13CH3])OC 62a_100000069011_200025704644 [0,1,0,0,0,0|2,0,0]=3 4165 B9R0.50 COC(CCCS[13CH3])OC 62a_200025704644_100000069011 [0,1,0,0,0,0|2,0,0]=3 4166 B9R0.50 COC(CCSCF)OC 62a_100000139399_100015361967 [0,1,0,0,0,0|3,0,0]=4 4167 B9R0.50 COC(CCSCF)OC 62a_100015361967_100000139399 [0,1,0,0,0,0|3,0,0]=4 4168 B9R0.50 COC(CNCCF)OC 34a_100000724931_100000211822 [0,1,0,0,0,0|3,0,0]=4 4169 B9R0.50 COC(CNCCO)OC 2230a_100016997473_100000751394 [0,1,0,0,0,0|3,0,0]=4 4170 B9R0.50 COC(CNCCO)OC 270004a_100000210304_100000752162 [0,1,0,0,0,0|3,0,0]=4 4171 B9R0.50 COC(CNCCO)OC 34a_100016990907_100000211822 [0,1,0,0,0,0|3,0,0]=4 4172 B9R0.50 COC(COCCBr)OC 34a_100000211926_100000211822 [0,1,0,0,0,0|3,0,0]=4 4173 B9R0.50 COC(COCCF)OC 34a_100011216393_100011217306 [0,1,0,0,0,0|3,0,0]=4 4174 B9R0.50 COC(COCCN)OC 34a_100000210304_100000211822 [0,1,0,0,0,0|3,0,0]=4 4175 B9R0.50 COC(COCCO)OC 34a_100011216393_100000211926 [0,1,0,0,0,0|3,0,0]=4 4176 B9R0.50 COC(COCSC)OC 34a_100011216393_100011218213 [0,1,0,0,0,0|3,0,0]=4 4177 B9R0.50 COC(CSCCF)OC 62a_100000751394_100011217306 [0,1,0,0,0,0|3,0,0]=4 4178 B9R0.50 COC(CSCCF)OC 62a_100011217306_100000751394 [0,1,0,0,0,0|3,0,0]=4 4179 B9R0.50 COC(CSCCO)OC 62a_100000211926_100000751394 [0,1,0,0,0,0|3,0,0]=4 4180 B9R0.50 COC(CSCCO)OC 62a_100000751394_100000211926 [0,1,0,0,0,0|3,0,0]=4 4181 B9R0.50 COC(CSCSC)OC 62a_100000751394_100011218213 [0,1,0,0,0,0|3,0,0]=4 4182 B9R0.50 COC(CSCSC)OC 62a_100011218213_100000751394 [0,1,0,0,0,0|3,0,0]=4 4183 B9R0.50 COCCCC(OC)OC 34a_100138415774_100000069011 [0,1,0,0,0,0|2,0,0]=3 4184 B9R0.50 COCCNC(CO)CO 2230a_100000759517_100011201679 [0,1,0,0,0,0|3,0,0]=4 4185 B9R0.50 COCSCC(OC)OC 62a_100000751394_100000766300 [0,1,0,0,0,0|3,0,0]=4 4186 B9R0.50 COCSCC(OC)OC 62a_100000766300_100000751394 [0,1,0,0,0,0|3,0,0]=4 4187 B9R0.50 CSCCNC(CO)CO 2230a_100000759517_100000751147 [0,1,0,0,0,0|3,0,0]=4 4188 B9R0.50 OCC(CO)NCCCF 2230a_100000759517_100011934791 [0,1,0,0,0,0|3,0,0]=4 4189 B9R0.50 OCCCNC(CO)CO 2230a_100000759517_100000230001 [0,1,0,0,0,0|3,0,0]=4 4190 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,0,0,1,0,0|2,0,1]=4 4191 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [0,0,0,1,0,0|2,0,1]=4 4192 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [0,0,0,1,0,0|2,0,1]=4 4193 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [0,0,0,1,0,0|2,0,1]=4 4194 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,0,0,1,0,0|2,0,0]=3 4195 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,0,0,1,0,0|2,0,0]=3 4196 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [0,0,0,1,0,0|2,0,0]=3 4197 B9R1.1 CC1CCN(CC1)CF 269982a_100000188429_100015361967 [0,0,0,1,0,0|3,0,0]=4 4198 B9R1.1 CC1CCN(CC1)CF 34a_100000188429_100015361967 [0,0,0,1,0,0|3,0,0]=4 4199 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,0,0,1,0,0|2,0,0]=3 4200 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,0,0,1,0,0|2,0,0]=3 4201 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,0,0,1,0,0|2,0,0]=3 4202 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,0,0,1,0,0|2,0,0]=3 4203 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,0,0,1,0,0|2,0,0]=3 4204 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,0,0,1,0,0|2,0,0]=3 4205 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [0,0,0,1,0,0|2,0,0]=3 4206 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [0,0,0,1,0,0|2,0,0]=3 4207 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [0,0,0,1,0,0|2,0,0]=3 4208 B9R1.1 CCN1CCC(CC1)F 2230a_100015193889_100000210202 [0,0,0,1,0,0|2,0,0]=3 4209 B9R1.1 CCN1CCC(CC1)F 269982a_100015193889_100000204670 [0,0,0,1,0,0|2,0,0]=3 4210 B9R1.1 CCN1CCC(CC1)F 34a_100015193889_100000210202 [0,0,0,1,0,0|2,0,0]=3 4211 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [0,0,0,1,0,0|1,0,0]=2 4212 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [0,0,0,1,0,0|1,0,0]=2 4213 B9R1.1 CCN1CCN(CC1)C 2230a_100000188432_100000210202 [0,0,0,1,0,0|3,0,0]=4 4214 B9R1.1 CCN1CCN(CC1)C 2230a_100000210033_200000210301 [0,0,0,1,0,0|3,0,0]=4 4215 B9R1.1 CCN1CCN(CC1)C 269982a_100000188432_100000204670 [0,0,0,1,0,0|3,0,0]=4 4216 B9R1.1 CCN1CCN(CC1)C 269982a_100000210033_200000210301 [0,0,0,1,0,0|3,0,0]=4 4217 B9R1.1 CCN1CCN(CC1)[13CH3] 2230a_100000210033_200025704644 [0,0,0,1,0,0|3,0,0]=4 4218 B9R1.1 CCN1CCN(CC1)[13CH3] 269982a_100000210033_200025704644 [0,0,0,1,0,0|3,0,0]=4 4219 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [0,0,0,1,0,0|2,0,1]=4 4220 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [0,0,0,1,0,0|2,0,1]=4 4221 B9R1.1 CN1CCC(CC1)CF 2230a_100015203933_200000210301 [0,0,0,1,0,0|3,0,0]=4 4222 B9R1.1 CN1CCC(CC1)CF 269982a_100015203933_200000210301 [0,0,0,1,0,0|3,0,0]=4 4223 B9R1.1 CN1CCC(CC1)CF 34a_100015203933_200000210301 [0,0,0,1,0,0|3,0,0]=4 4224 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [0,0,0,1,0,0|3,0,0]=4 4225 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [0,0,0,1,0,0|3,0,0]=4 4226 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [0,0,0,1,0,0|3,0,0]=4 4227 B9R1.1 CN1CCC(CC1)S[13CH3] 62a_200025704644_100011215917 [0,0,0,1,0,0|3,0,0]=4 4228 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [0,0,0,1,0,0|2,0,0]=3 4229 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [0,0,0,1,0,0|2,0,0]=3 4230 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,0,0,1,0,0|1,0,0]=2 4231 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [0,0,0,1,0,0|3,0,0]=4 4232 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [0,0,0,1,0,0|2,0,0]=3 4233 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [0,0,0,1,0,0|2,0,0]=3 4234 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,0,0,1,0,0|1,0,2]=4 4235 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,0,0,1,0,0|1,0,2]=4 4236 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,0,0,1,0,0|2,0,0]=3 4237 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,0,0,1,0,0|2,0,0]=3 4238 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,0,0,1,0,0|2,0,0]=3 4239 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [0,0,0,1,0,0|3,0,0]=4 4240 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [0,0,0,1,0,0|3,0,0]=4 4241 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [0,0,0,1,0,0|3,0,0]=4 4242 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [0,0,0,1,0,0|3,0,0]=4 4243 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [0,0,0,1,0,0|3,0,0]=4 4244 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [0,0,0,1,0,0|3,0,0]=4 4245 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [0,0,0,1,0,0|2,0,0]=3 4246 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [0,0,0,1,0,0|2,0,0]=3 4247 B9R1.1 CSC1CCN(CC1)C 2230a_100015202541_200000210301 [0,0,0,1,0,0|3,0,0]=4 4248 B9R1.1 CSC1CCN(CC1)C 269982a_100015202541_200000210301 [0,0,0,1,0,0|3,0,0]=4 4249 B9R1.1 CSC1CCN(CC1)C 34a_100015202541_200000210301 [0,0,0,1,0,0|3,0,0]=4 4250 B9R1.1 CSC1CCN(CC1)C 62a_200000210301_100011215917 [0,0,0,1,0,0|3,0,0]=4 4251 B9R1.1 CSC1CCN(CC1)[13CH3] 2230a_100015202541_200025704644 [0,0,0,1,0,0|3,0,0]=4 4252 B9R1.1 CSC1CCN(CC1)[13CH3] 269982a_100015202541_200025704644 [0,0,0,1,0,0|3,0,0]=4 4253 B9R1.1 CSC1CCN(CC1)[13CH3] 34a_100015202541_200025704644 [0,0,0,1,0,0|3,0,0]=4 4254 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [0,0,0,1,0,0|2,0,0]=3 4255 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [0,0,0,1,0,0|2,0,0]=3 4256 B9R1.1 FCN1CCC(CC1)F 269982a_100015193889_100015361967 [0,0,0,1,0,0|3,0,0]=4 4257 B9R1.1 FCN1CCC(CC1)F 34a_100015193889_100015361967 [0,0,0,1,0,0|3,0,0]=4 4258 B9R1.1 OC1CCN(CC1)CF 269982a_100025773856_100015361967 [0,0,0,1,0,0|2,0,0]=3 4259 B9R1.1 [13CH3]N1CCC(CC1)CF 2230a_100015203933_200025704644 [0,0,0,1,0,0|3,0,0]=4 4260 B9R1.1 [13CH3]N1CCC(CC1)CF 269982a_100015203933_200025704644 [0,0,0,1,0,0|3,0,0]=4 4261 B9R1.1 [13CH3]N1CCC(CC1)CF 34a_100015203933_200025704644 [0,0,0,1,0,0|3,0,0]=4 4262 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [0,0,0,1,0,0|3,0,0]=4 4263 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [0,0,0,1,0,0|3,0,0]=4 4264 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [0,0,0,1,0,0|3,0,0]=4 4265 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,0,0,1,0,0|1,0,2]=4 4266 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,0,0,1,0,0|1,0,2]=4 4267 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [0,0,0,1,0,0|2,0,0]=3 4268 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,0,0,1,0,0|2,0,1]=4 4269 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,0,0,1,0,0|3,0,0]=4 4270 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,0,0,1,0,0|3,0,0]=4 4271 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,0,0,1,0,0|2,0,0]=3 4272 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,0,0,1,0,0|2,0,0]=3 4273 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,0,0,1,0,0|2,0,0]=3 4274 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 4275 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 4276 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 4277 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 4278 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 4279 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 4280 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,0,0,1,0,0|3,0,0]=4 4281 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,0,0,1,0,0|3,0,0]=4 4282 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,0,0,1,0,0|3,0,0]=4 4283 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,0,0,1,0,0|3,0,0]=4 4284 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,0,0,1,0,0|3,0,0]=4 4285 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,0,0,1,0,0|2,0,0]=3 4286 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,0,0,1,0,0|2,0,0]=3 4287 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,0,0,1,0,0|2,0,0]=3 4288 B9R1.2 CCN1CCOC(C1)C 2230a_100000729577_100000210202 [0,0,0,1,0,0|3,0,0]=4 4289 B9R1.2 CCN1CCOC(C1)C 269982a_100000729577_100000204670 [0,0,0,1,0,0|3,0,0]=4 4290 B9R1.2 CCN1CCOC(C1)C 34a_100000729577_100000210202 [0,0,0,1,0,0|3,0,0]=4 4291 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [0,0,0,1,0,0|3,0,0]=4 4292 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [0,0,0,1,0,0|3,0,0]=4 4293 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [0,0,0,1,0,0|3,0,0]=4 4294 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 4295 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 4296 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 4297 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,0,0,1,0,0|2,0,0]=3 4298 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,0,0,1,0,0|2,0,0]=3 4299 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,0,0,1,0,0|2,0,0]=3 4300 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,0,0,1,0,0|3,0,0]=4 4301 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,0,0,1,0,0|3,0,0]=4 4302 B9R1.2 CNC1CCN[C@@H](C1)C 270004a_106832991635_100016994030 [0,0,0,1,0,0|3,0,0]=4 4303 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,0,0,1,0,0|3,0,0]=4 4304 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,0,0,1,0,0|2,0,1]=4 4305 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,0,0,1,0,0|2,0,0]=3 4306 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 4307 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 4308 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 4309 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 4310 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 4311 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 4312 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,0,0,1,0,0|3,0,0]=4 4313 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,0,0,1,0,0|3,0,0]=4 4314 B9R1.2 C[C@H]1CCCN(C1)CF 269982a_100000717927_100015361967 [0,0,0,1,0,0|3,0,0]=4 4315 B9R1.2 C[C@H]1CCCN(C1)CF 34a_100000717927_100015361967 [0,0,0,1,0,0|3,0,0]=4 4316 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [0,0,0,1,0,0|3,0,0]=4 4317 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [0,0,0,1,0,0|3,0,0]=4 4318 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [0,0,0,1,0,0|3,0,0]=4 4319 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 4320 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 4321 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 4322 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,0,0,1,0,0|3,0,0]=4 4323 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,0,0,1,0,0|2,0,0]=3 4324 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,0,0,1,0,0|2,0,0]=3 4325 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,0,0,1,0,0|2,0,0]=3 4326 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,0,0,1,0,0|2,0,0]=3 4327 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,0,0,1,0,0|2,0,0]=3 4328 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,0,0,1,0,0|2,0,0]=3 4329 B9R1.3 C[C@@H]1COC[C@@H](N1C)C 2230a_100103153222_200000210301 [0,0,0,1,0,0|3,0,0]=4 4330 B9R1.3 C[C@@H]1COC[C@@H](N1C)C 269982a_100103153222_200000210301 [0,0,0,1,0,0|3,0,0]=4 4331 B9R1.3 C[C@@H]1COC[C@@H](N1C)C 34a_100103153222_200000210301 [0,0,0,1,0,0|3,0,0]=4 4332 B9R1.3 C[C@@H]1COC[C@@H](N1[13CH3])C 2230a_100103153222_200025704644 [0,0,0,1,0,0|3,0,0]=4 4333 B9R1.3 C[C@@H]1COC[C@@H](N1[13CH3])C 269982a_100103153222_200025704644 [0,0,0,1,0,0|3,0,0]=4 4334 B9R1.3 C[C@@H]1COC[C@@H](N1[13CH3])C 34a_100103153222_200025704644 [0,0,0,1,0,0|3,0,0]=4 4335 B9R1.7 C#CCN1CCC(C1)O 2230a_100011215560_100000038162 [0,0,0,1,0,0|1,0,2]=4 4336 B9R1.7 C=CCN1CCC(C1)O 2230a_100011215560_100000210623 [0,0,0,1,0,0|1,0,2]=4 4337 B9R1.7 C=CCN1CCC(C1)O 269982a_100011215560_100000210623 [0,0,0,1,0,0|1,0,2]=4 4338 B9R1.7 CC1CCC(C1)OCF 34a_100000698185_100015361967 [0,0,0,1,0,0|3,0,0]=4 4339 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,0,0,1,0,0|1,0,0]=2 4340 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,0,0,1,0,0|1,0,0]=2 4341 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [0,0,0,1,0,0|2,0,0]=3 4342 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [0,0,0,1,0,0|2,0,0]=3 4343 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [0,0,0,1,0,0|2,0,0]=3 4344 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,0,0,1,0,0|2,0,0]=3 4345 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,0,0,1,0,0|2,0,0]=3 4346 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,0,0,1,0,0|2,0,0]=3 4347 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,0,0,1,0,0|2,0,0]=3 4348 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,0,0,1,0,0|1,0,0]=2 4349 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,0,0,1,0,0|1,0,0]=2 4350 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|1,0,2]=4 4351 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,0,0,1,0,0|2,0,0]=3 4352 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 4353 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 4354 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 4355 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 4356 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 4357 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 4358 B9R1.7 CCSC1CCN(C1)C 62a_100000210202_200012183744 [0,0,0,1,0,0|3,0,0]=4 4359 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 4360 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 4361 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 4362 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200000690779_200025704644 [0,0,0,1,0,0|3,0,0]=4 4363 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200025704644_200000690779 [0,0,0,1,0,0|3,0,0]=4 4364 B9R1.7 CNCC1CCN(C1)C 34a_100102657272_200000690779 [0,0,0,1,0,0|3,0,0]=4 4365 B9R1.7 CNCC1CCN(C1)C 7a_106832991635_200000690779 [0,0,0,1,0,0|3,0,0]=4 4366 B9R1.7 COCC1CCN(C1)C 2230a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 4367 B9R1.7 COCC1CCN(C1)C 269982a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 4368 B9R1.7 COCC1CCN(C1)C 34a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 4369 B9R1.7 COCC1CCN(C1)C 34a_100138415774_200000690779 [0,0,0,1,0,0|3,0,0]=4 4370 B9R1.7 COCC1CCN(C1)[13CH3] 2230a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 4371 B9R1.7 COCC1CCN(C1)[13CH3] 269982a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 4372 B9R1.7 COCC1CCN(C1)[13CH3] 34a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 4373 B9R1.7 COCN1CCC(C1)O 2230a_100011215560_100000766300 [0,0,0,1,0,0|2,0,0]=3 4374 B9R1.7 COCN1CCC(C1)O 269982a_100011215560_100000766300 [0,0,0,1,0,0|2,0,0]=3 4375 B9R1.7 COCN1CC[C@@H](C1)F 2230a_100015203821_100000766300 [0,0,0,1,0,0|3,0,0]=4 4376 B9R1.7 COCN1CC[C@@H](C1)F 269982a_100015203821_100000766300 [0,0,0,1,0,0|3,0,0]=4 4377 B9R1.7 COCN1CC[C@H](C1)C 2230a_100016987628_100000766300 [0,0,0,1,0,0|3,0,0]=4 4378 B9R1.7 COCN1CC[C@H](C1)C 269982a_100016987628_100000766300 [0,0,0,1,0,0|3,0,0]=4 4379 B9R1.7 COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200000210301 [0,0,0,1,0,0|3,0,0]=4 4380 B9R1.7 CSCC1CCN(C1)C 62a_200000210301_200000690779 [0,0,0,1,0,0|3,0,0]=4 4381 B9R1.7 CSCC1CCN(C1)C 62a_200000690779_200000210301 [0,0,0,1,0,0|3,0,0]=4 4382 B9R1.7 CSCN1CCC(C1)O 2230a_100011215560_100011218213 [0,0,0,1,0,0|2,0,0]=3 4383 B9R1.7 CSCN1CCC(C1)O 269982a_100011215560_100011218213 [0,0,0,1,0,0|2,0,0]=3 4384 B9R1.7 CSCN1CC[C@@H](C1)F 2230a_100015203821_100011218213 [0,0,0,1,0,0|3,0,0]=4 4385 B9R1.7 CSCN1CC[C@@H](C1)F 269982a_100015203821_100011218213 [0,0,0,1,0,0|3,0,0]=4 4386 B9R1.7 CSCN1CC[C@@H](C1)F 34a_100015203821_100011218213 [0,0,0,1,0,0|3,0,0]=4 4387 B9R1.7 CSCN1CC[C@H](C1)C 2230a_100016987628_100011218213 [0,0,0,1,0,0|3,0,0]=4 4388 B9R1.7 CSCN1CC[C@H](C1)C 269982a_100016987628_100011218213 [0,0,0,1,0,0|3,0,0]=4 4389 B9R1.7 CSCN1CC[C@H](C1)C 34a_100016987628_100011218213 [0,0,0,1,0,0|3,0,0]=4 4390 B9R1.7 C[C@@H]1CCN(C1)CCF 2230a_100016987628_100011217306 [0,0,0,1,0,0|3,0,0]=4 4391 B9R1.7 C[C@@H]1CCN(C1)CCF 269982a_100016987628_100011217306 [0,0,0,1,0,0|3,0,0]=4 4392 B9R1.7 C[C@@H]1CCN(C1)CCF 34a_100016987628_100011217306 [0,0,0,1,0,0|3,0,0]=4 4393 B9R1.7 C[C@@H]1CCN(C1)CCO 2230a_100016987628_100000211926 [0,0,0,1,0,0|3,0,0]=4 4394 B9R1.7 C[C@@H]1CCN(C1)CCO 269982a_100016987628_100000211926 [0,0,0,1,0,0|3,0,0]=4 4395 B9R1.7 C[C@@H]1CCN(C1)CCO 34a_100016987628_100000211926 [0,0,0,1,0,0|3,0,0]=4 4396 B9R1.7 FCCN1CC[C@@H](C1)F 2230a_100015203821_100011217306 [0,0,0,1,0,0|3,0,0]=4 4397 B9R1.7 FCCN1CC[C@@H](C1)F 269982a_100015203821_100011217306 [0,0,0,1,0,0|3,0,0]=4 4398 B9R1.7 FCCN1CC[C@@H](C1)F 34a_100015203821_100011217306 [0,0,0,1,0,0|3,0,0]=4 4399 B9R1.7 N#CCN1CCC(C1)O 2230a_100011215560_100011215382 [0,0,0,1,0,0|2,0,1]=4 4400 B9R1.7 N#CCN1CCC(C1)O 269982a_100011215560_100011214920 [0,0,0,1,0,0|2,0,1]=4 4401 B9R1.7 O=CCN1CCC(C1)O 2230a_100011215560_200015260668 [0,0,0,1,0,0|2,0,1]=4 4402 B9R1.7 O=CCN1CCC(C1)O 269982a_100011215560_200015260668 [0,0,0,1,0,0|2,0,1]=4 4403 B9R1.7 OC1CCN(C1)CCF 2230a_100011215560_100011217306 [0,0,0,1,0,0|2,0,0]=3 4404 B9R1.7 OC1CCN(C1)CCF 269982a_100011215560_100011217306 [0,0,0,1,0,0|2,0,0]=3 4405 B9R1.7 OCCN1CCC(C1)O 2230a_100011215560_100000211926 [0,0,0,1,0,0|2,0,0]=3 4406 B9R1.7 OCCN1CCC(C1)O 269982a_100011215560_100000211926 [0,0,0,1,0,0|2,0,0]=3 4407 B9R1.7 OCCN1CC[C@@H](C1)F 2230a_100015203821_100000211926 [0,0,0,1,0,0|3,0,0]=4 4408 B9R1.7 OCCN1CC[C@@H](C1)F 269982a_100015203821_100000211926 [0,0,0,1,0,0|3,0,0]=4 4409 B9R1.7 OCCN1CC[C@@H](C1)F 34a_100015203821_100000211926 [0,0,0,1,0,0|3,0,0]=4 4410 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 4411 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 4412 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 4413 B9R1.7 [13CH3]OC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200025704644 [0,0,0,1,0,0|3,0,0]=4 4414 B9R1.11 CC(CO)N1CCCC1 2230a_100000188435_100012180447 [0,0,0,1,0,0|3,0,0]=4 4415 B9R1.11 CC(N[13CH3])C1CCCC1 2230a_100015185923_200025704644 [0,0,0,1,0,0|2,0,0]=3 4416 B9R1.11 CC(N[13CH3])C1CCCC1 34a_100015185923_200025704644 [0,0,0,1,0,0|2,0,0]=3 4417 B9R1.11 CC(N[13CH3])C1CCCO1 2230a_100025754208_200025704644 [0,0,0,1,0,0|3,0,0]=4 4418 B9R1.11 CC(N[13CH3])C1CCCO1 34a_100025754208_200025704644 [0,0,0,1,0,0|3,0,0]=4 4419 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,0,0,1,0,0|2,0,0]=3 4420 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,0,0,1,0,0|2,0,0]=3 4421 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,0,0,1,0,0|0,0,2]=3 4422 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,0,0,1,0,0|0,0,2]=3 4423 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,0,1,0,0|1,0,2]=4 4424 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,0,0,1,0,0|1,0,2]=4 4425 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,0,0,1,0,0|1,0,2]=4 4426 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,0,1,0,0|1,0,2]=4 4427 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,0,1,0,0|1,0,2]=4 4428 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,0,1,0,0|1,0,2]=4 4429 B9R1.11 CCC(C)N1CCCC1 2230a_100000188435_100000758301 [0,0,0,1,0,0|2,0,0]=3 4430 B9R1.11 CCC(C)N1CCCC1 269982a_100000188435_100000758301 [0,0,0,1,0,0|2,0,0]=3 4431 B9R1.11 CCC(C)N1CCSC1 2230a_100011215254_100000758301 [0,0,0,1,0,0|3,0,0]=4 4432 B9R1.11 CCC(C)N1CCSC1 269982a_100011215254_100000758301 [0,0,0,1,0,0|3,0,0]=4 4433 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [0,0,0,1,0,0|2,0,0]=3 4434 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [0,0,0,1,0,0|2,0,0]=3 4435 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [0,0,0,1,0,0|2,0,0]=3 4436 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [0,0,0,1,0,0|2,0,0]=3 4437 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [0,0,0,1,0,0|2,0,0]=3 4438 B9R1.11 CCN(C)C1CCOC1 2230a_100000225621_100000731011 [0,0,0,1,0,0|3,0,0]=4 4439 B9R1.11 CCN(C)C1CCOC1 2230a_100016988252_100000210202 [0,0,0,1,0,0|3,0,0]=4 4440 B9R1.11 CCN(C)C1CCOC1 269982a_100000225621_100000731011 [0,0,0,1,0,0|3,0,0]=4 4441 B9R1.11 CCN(C)C1CCOC1 269982a_100016988252_100000204670 [0,0,0,1,0,0|3,0,0]=4 4442 B9R1.11 CCN(C)C1CCOC1 34a_100016988252_100000210202 [0,0,0,1,0,0|3,0,0]=4 4443 B9R1.11 CN(CF)C1CCCC1 269982a_100000207505_100015361967 [0,0,0,1,0,0|3,0,0]=4 4444 B9R1.11 CN(CF)C1CCCC1 34a_100000207505_100015361967 [0,0,0,1,0,0|3,0,0]=4 4445 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,0,0,1,0,0|1,0,2]=4 4446 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,0,0,1,0,0|1,0,2]=4 4447 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,0,0,1,0,0|1,0,2]=4 4448 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,0,0,1,0,0|1,0,2]=4 4449 B9R1.11 CNC(C)C1CCCC1 2230a_100015185923_200000210301 [0,0,0,1,0,0|2,0,0]=3 4450 B9R1.11 CNC(C)C1CCCC1 269862a_106832991636_100000749594 [0,0,0,1,0,0|2,0,0]=3 4451 B9R1.11 CNC(C)C1CCCC1 270004a_106832991635_100000749594 [0,0,0,1,0,0|2,0,0]=3 4452 B9R1.11 CNC(C)C1CCCC1 34a_100015185923_200000210301 [0,0,0,1,0,0|2,0,0]=3 4453 B9R1.11 CNC(C)C1CCCO1 2230a_100025754208_200000210301 [0,0,0,1,0,0|3,0,0]=4 4454 B9R1.11 CNC(C)C1CCCO1 34a_100025754208_200000210301 [0,0,0,1,0,0|3,0,0]=4 4455 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,0,0,1,0,0|2,0,0]=3 4456 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,0,0,1,0,0|2,0,0]=3 4457 B9R1.11 COC(C)N1CCCC1 269982a_100000188435_100009879195 [0,0,0,1,0,0|3,0,0]=4 4458 B9R1.11 C[C@H](CO)N1CCCC1 269982a_100000188435_100016084084 [0,0,0,1,0,0|3,0,0]=4 4459 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,0,0,1,0,0|1,0,2]=4 4460 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,0,0,1,0,0|1,0,2]=4 4461 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [0,0,0,1,0,0|3,0,0]=4 4462 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [0,0,0,1,0,0|3,0,0]=4 4463 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [0,0,0,1,0,0|3,0,0]=4 4464 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [0,0,0,1,0,0|3,0,0]=4 4465 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [0,0,0,1,0,0|3,0,0]=4 4466 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [0,0,0,1,0,0|3,0,0]=4 4467 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [0,0,0,1,0,0|3,0,0]=4 4468 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,0,0,1,0,0|2,0,0]=3 4469 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,0,0,1,0,0|2,0,0]=3 4470 B9R1.16 CSCOCC1CC1C 34a_100000744939_100011218213 [0,0,0,1,0,0|3,0,0]=4 4471 B9R1.17 BrCCCOC1CCC1 34a_100011217188_100000749161 [0,0,0,1,0,0|3,0,0]=4 4472 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [0,0,0,1,0,0|3,0,0]=4 4473 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [0,0,0,1,0,0|2,0,0]=3 4474 B9R1.17 C#CCNCC1CCO1 34a_100000212058_100000103362 [0,0,0,1,0,0|1,0,2]=4 4475 B9R1.17 C#CCNC[C@@H]1CCO1 2230a_100020831831_100000038162 [0,0,0,1,0,0|1,0,2]=4 4476 B9R1.17 C#CCNC[C@@H]1CCO1 34a_100020831831_100000184674 [0,0,0,1,0,0|1,0,2]=4 4477 B9R1.17 C#CCOCC1CCO1 34a_100000039022_100000184674 [0,0,0,1,0,0|1,0,2]=4 4478 B9R1.17 C#CCOCC1CCO1 34a_100000210247_100000103362 [0,0,0,1,0,0|1,0,2]=4 4479 B9R1.17 C#CCSCC1CCO1 62a_100000038162_100000103362 [0,0,0,1,0,0|1,0,2]=4 4480 B9R1.17 C=CCNCC1CCO1 2230a_100020586998_100000103362 [0,0,0,1,0,0|1,0,2]=4 4481 B9R1.17 C=CCNC[C@@H]1CCO1 2230a_100020831831_100000210623 [0,0,0,1,0,0|1,0,2]=4 4482 B9R1.17 C=CCNC[C@@H]1CCO1 34a_100020831831_100015514636 [0,0,0,1,0,0|1,0,2]=4 4483 B9R1.17 C=CCOCC1CCO1 34a_100000039022_100015514636 [0,0,0,1,0,0|1,0,2]=4 4484 B9R1.17 C=CCOCC1CCO1 34a_200000210373_100000103362 [0,0,0,1,0,0|1,0,2]=4 4485 B9R1.17 C=CCSCC1CCO1 62a_100000103362_100000210623 [0,0,0,1,0,0|1,0,2]=4 4486 B9R1.17 C=CCSCC1CCO1 62a_100000210623_100000103362 [0,0,0,1,0,0|1,0,2]=4 4487 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [0,0,0,1,0,0|2,0,0]=3 4488 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [0,0,0,1,0,0|2,0,0]=3 4489 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [0,0,0,1,0,0|2,0,0]=3 4490 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [0,0,0,1,0,0|2,0,0]=3 4491 B9R1.17 CCCCNC1COC1 2230a_100016991112_100000210211 [0,0,0,1,0,0|3,0,0]=4 4492 B9R1.17 CCCCNC1COC1 7a_106832991798_100009818527 [0,0,0,1,0,0|3,0,0]=4 4493 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [0,0,0,1,0,0|2,0,0]=3 4494 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [0,0,0,1,0,0|2,0,0]=3 4495 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [0,0,0,1,0,0|3,0,0]=4 4496 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [0,0,0,1,0,0|3,0,0]=4 4497 B9R1.17 CCCCOC1CSC1 7a_100000072292_100000210211 [0,0,0,1,0,0|3,0,0]=4 4498 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [0,0,0,1,0,0|2,0,0]=3 4499 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [0,0,0,1,0,0|3,0,0]=4 4500 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [0,0,0,1,0,0|2,0,0]=3 4501 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [0,0,0,1,0,0|2,0,0]=3 4502 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [0,0,0,1,0,0|2,0,0]=3 4503 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [0,0,0,1,0,0|3,0,0]=4 4504 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [0,0,0,1,0,0|3,0,0]=4 4505 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,0,0,1,0,0|1,0,0]=2 4506 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,0,0,1,0,0|1,0,0]=2 4507 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [0,0,0,1,0,0|2,0,0]=3 4508 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [0,0,0,1,0,0|2,0,0]=3 4509 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,0,0,1,0,0|1,0,0]=2 4510 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,0,0,1,0,0|1,0,0]=2 4511 B9R1.17 CCCOCC1CNC1 34a_100016987283_100000210303 [0,0,0,1,0,0|3,0,0]=4 4512 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [0,0,0,1,0,0|3,0,0]=4 4513 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [0,0,0,1,0,0|3,0,0]=4 4514 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [0,0,0,1,0,0|2,0,0]=3 4515 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [0,0,0,1,0,0|2,0,0]=3 4516 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,0,0,1,0,0|1,0,0]=2 4517 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,0,0,1,0,0|1,0,0]=2 4518 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [0,0,0,1,0,0|3,0,0]=4 4519 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [0,0,0,1,0,0|3,0,0]=4 4520 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [0,0,0,1,0,0|3,0,0]=4 4521 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [0,0,0,1,0,0|3,0,0]=4 4522 B9R1.17 CCOCSC1CCC1 62a_100000739092_100000749161 [0,0,0,1,0,0|3,0,0]=4 4523 B9R1.17 CCSCCN1CCC1 269982a_100000754969_100000757381 [0,0,0,1,0,0|3,0,0]=4 4524 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [0,0,0,1,0,0|3,0,0]=4 4525 B9R1.17 COCCNC1CCC1 2230a_100000749019_100011201679 [0,0,0,1,0,0|3,0,0]=4 4526 B9R1.17 COCCNC1CCC1 270004a_100000209980_100000241760 [0,0,0,1,0,0|3,0,0]=4 4527 B9R1.17 COCCNC1CCC1 34a_100000749019_100011201679 [0,0,0,1,0,0|3,0,0]=4 4528 B9R1.17 COCCOC1CCC1 34a_100000210237_100000749161 [0,0,0,1,0,0|3,0,0]=4 4529 B9R1.17 COCCOC1CCC1 34a_100000748187_100011201679 [0,0,0,1,0,0|3,0,0]=4 4530 B9R1.17 COCCSC1CCC1 62a_100000233755_100000749161 [0,0,0,1,0,0|3,0,0]=4 4531 B9R1.17 COCNCC1CCC1 2230a_100000738700_100000766300 [0,0,0,1,0,0|3,0,0]=4 4532 B9R1.17 COCNC[C@@H]1CCO1 2230a_100020831831_100000766300 [0,0,0,1,0,0|2,0,0]=3 4533 B9R1.17 COCSCC1CCC1 62a_100000763275_100000766300 [0,0,0,1,0,0|3,0,0]=4 4534 B9R1.17 COCSCC1CCC1 62a_100000766300_100000763275 [0,0,0,1,0,0|3,0,0]=4 4535 B9R1.17 COCSCC1CCO1 62a_100000103362_100000766300 [0,0,0,1,0,0|2,0,0]=3 4536 B9R1.17 COCSCC1CCO1 62a_100000766300_100000103362 [0,0,0,1,0,0|2,0,0]=3 4537 B9R1.17 CSCCNC1CCC1 2230a_100000749019_100000751147 [0,0,0,1,0,0|3,0,0]=4 4538 B9R1.17 CSCCNC1CCC1 270004a_100020590264_100000241760 [0,0,0,1,0,0|3,0,0]=4 4539 B9R1.17 CSCCNC1CCC1 34a_100000749019_100000212216 [0,0,0,1,0,0|3,0,0]=4 4540 B9R1.17 CSCCOC1CCC1 34a_100000230434_100000749161 [0,0,0,1,0,0|3,0,0]=4 4541 B9R1.17 CSCCOC1CCC1 34a_100000748187_100000212216 [0,0,0,1,0,0|3,0,0]=4 4542 B9R1.17 CSCCSC1CCC1 62a_100000212216_100000749161 [0,0,0,1,0,0|3,0,0]=4 4543 B9R1.17 CSCNCC1CCC1 2230a_100000738700_100011218213 [0,0,0,1,0,0|3,0,0]=4 4544 B9R1.17 CSCNCC1CCC1 34a_100000738700_100011218213 [0,0,0,1,0,0|3,0,0]=4 4545 B9R1.17 CSCNC[C@@H]1CCO1 2230a_100020831831_100011218213 [0,0,0,1,0,0|2,0,0]=3 4546 B9R1.17 CSCNC[C@@H]1CCO1 34a_100020831831_100011218213 [0,0,0,1,0,0|2,0,0]=3 4547 B9R1.17 CSCOCC1CCC1 34a_100000760304_100011218213 [0,0,0,1,0,0|3,0,0]=4 4548 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [0,0,0,1,0,0|2,0,0]=3 4549 B9R1.17 CSCSCC1CCC1 62a_100000763275_100011218213 [0,0,0,1,0,0|3,0,0]=4 4550 B9R1.17 CSCSCC1CCC1 62a_100011218213_100000763275 [0,0,0,1,0,0|3,0,0]=4 4551 B9R1.17 CSCSCC1CCO1 62a_100000103362_100011218213 [0,0,0,1,0,0|2,0,0]=3 4552 B9R1.17 CSCSCC1CCO1 62a_100011218213_100000103362 [0,0,0,1,0,0|2,0,0]=3 4553 B9R1.17 ClCCCOC1CCC1 34a_100000230001_100000749161 [0,0,0,1,0,0|3,0,0]=4 4554 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [0,0,0,1,0,0|3,0,0]=4 4555 B9R1.17 FCCCNC1CCC1 2230a_100000749019_100011934791 [0,0,0,1,0,0|3,0,0]=4 4556 B9R1.17 FCCCNC1CCC1 270004a_100015189416_100000241760 [0,0,0,1,0,0|3,0,0]=4 4557 B9R1.17 FCCCNC1CCC1 34a_100000749019_100011934791 [0,0,0,1,0,0|3,0,0]=4 4558 B9R1.17 FCCCNC1CCC1 34a_100015189416_100000749161 [0,0,0,1,0,0|3,0,0]=4 4559 B9R1.17 FCCCOC1CCC1 34a_100000748187_100011934791 [0,0,0,1,0,0|3,0,0]=4 4560 B9R1.17 FCCCOC1CCC1 34a_100000759539_100000749161 [0,0,0,1,0,0|3,0,0]=4 4561 B9R1.17 FCCCSC1CCC1 62a_100011934791_100000749161 [0,0,0,1,0,0|3,0,0]=4 4562 B9R1.17 FCCNCC1CCC1 2230a_100000738700_100011217306 [0,0,0,1,0,0|3,0,0]=4 4563 B9R1.17 FCCNCC1CCC1 269862a_100000724931_100000753134 [0,0,0,1,0,0|3,0,0]=4 4564 B9R1.17 FCCNCC1CCC1 34a_100000724931_100000763275 [0,0,0,1,0,0|3,0,0]=4 4565 B9R1.17 FCCNCC1CCC1 34a_100000738700_100011217306 [0,0,0,1,0,0|3,0,0]=4 4566 B9R1.17 FCCNCC1CCO1 34a_100000724931_100000103362 [0,0,0,1,0,0|2,0,0]=3 4567 B9R1.17 FCCNC[C@@H]1CCO1 2230a_100020831831_100011217306 [0,0,0,1,0,0|2,0,0]=3 4568 B9R1.17 FCCNC[C@@H]1CCO1 34a_100020831831_100011217306 [0,0,0,1,0,0|2,0,0]=3 4569 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [0,0,0,1,0,0|3,0,0]=4 4570 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [0,0,0,1,0,0|2,0,0]=3 4571 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [0,0,0,1,0,0|3,0,0]=4 4572 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [0,0,0,1,0,0|3,0,0]=4 4573 B9R1.17 FCCSCC1CCO1 62a_100000103362_100011217306 [0,0,0,1,0,0|2,0,0]=3 4574 B9R1.17 FCCSCC1CCO1 62a_100011217306_100000103362 [0,0,0,1,0,0|2,0,0]=3 4575 B9R1.17 N#CCNC[C@@H]1CCO1 2230a_100020831831_100011215382 [0,0,0,1,0,0|2,0,1]=4 4576 B9R1.17 N#CCSCC1CCO1 62a_100000103362_100011215382 [0,0,0,1,0,0|2,0,1]=4 4577 B9R1.17 N#CCSCC1CCO1 62a_100011215382_100000103362 [0,0,0,1,0,0|2,0,1]=4 4578 B9R1.17 NCCCOC1CCC1 34a_100000182051_100000749161 [0,0,0,1,0,0|3,0,0]=4 4579 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [0,0,0,1,0,0|3,0,0]=4 4580 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [0,0,0,1,0,0|2,0,0]=3 4581 B9R1.17 O=CCNC[C@@H]1CCO1 2230a_100020831831_200015260668 [0,0,0,1,0,0|2,0,1]=4 4582 B9R1.17 O=CCNC[C@@H]1CCO1 34a_100020831831_200009817547 [0,0,0,1,0,0|2,0,1]=4 4583 B9R1.17 O=CCOCC1CCO1 34a_100000039022_200009817547 [0,0,0,1,0,0|2,0,1]=4 4584 B9R1.17 O=CCSCC1CCO1 62a_100000103362_200015260668 [0,0,0,1,0,0|2,0,1]=4 4585 B9R1.17 O=CCSCC1CCO1 62a_200015260668_100000103362 [0,0,0,1,0,0|2,0,1]=4 4586 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [0,0,0,1,0,0|3,0,0]=4 4587 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [0,0,0,1,0,0|3,0,0]=4 4588 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [0,0,0,1,0,0|3,0,0]=4 4589 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [0,0,0,1,0,0|3,0,0]=4 4590 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [0,0,0,1,0,0|3,0,0]=4 4591 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [0,0,0,1,0,0|3,0,0]=4 4592 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [0,0,0,1,0,0|3,0,0]=4 4593 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [0,0,0,1,0,0|3,0,0]=4 4594 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [0,0,0,1,0,0|3,0,0]=4 4595 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [0,0,0,1,0,0|3,0,0]=4 4596 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [0,0,0,1,0,0|3,0,0]=4 4597 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [0,0,0,1,0,0|2,0,0]=3 4598 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [0,0,0,1,0,0|2,0,0]=3 4599 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [0,0,0,1,0,0|2,0,0]=3 4600 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [0,0,0,1,0,0|2,0,0]=3 4601 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [0,0,0,1,0,0|3,0,0]=4 4602 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [0,0,0,1,0,0|2,0,0]=3 4603 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [0,0,0,1,0,0|3,0,0]=4 4604 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [0,0,0,1,0,0|3,0,0]=4 4605 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [0,0,0,1,0,0|2,0,0]=3 4606 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [0,0,0,1,0,0|2,0,0]=3 4607 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,0,0,1,0,0|2,0,0]=3 4608 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [0,0,0,1,0,0|3,0,0]=4 4609 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [0,0,0,1,0,0|3,0,0]=4 4610 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [0,0,0,1,0,0|3,0,0]=4 4611 B9R1.21 CCN1CCC(C1)NC 2230a_100015188829_200000210301 [0,0,0,1,0,0|3,0,0]=4 4612 B9R1.21 CCN1CCC(C1)NC 7a_106832991635_200011861547 [0,0,0,1,0,0|3,0,0]=4 4613 B9R1.21 CCN1CCC(C1)N[13CH3] 2230a_100015188829_200025704644 [0,0,0,1,0,0|3,0,0]=4 4614 B9R1.21 CCN1CCC(C1)SC 62a_200000210301_200011861547 [0,0,0,1,0,0|3,0,0]=4 4615 B9R1.21 CCN1CCC(C1)S[13CH3] 62a_200025704644_200011861547 [0,0,0,1,0,0|3,0,0]=4 4616 B9R1.21 CCN1CC[C@H](C1)OC 2230a_100000766984_100000210202 [0,0,0,1,0,0|3,0,0]=4 4617 B9R1.21 CCN1CC[C@H](C1)OC 269982a_100000766984_100000204670 [0,0,0,1,0,0|3,0,0]=4 4618 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [0,0,0,1,0,0|3,0,0]=4 4619 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [0,0,0,1,0,0|3,0,0]=4 4620 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [0,0,0,1,0,0|3,0,0]=4 4621 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [0,0,0,1,0,0|3,0,0]=4 4622 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,0,0,1,0,0|2,0,0]=3 4623 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,0,0,1,0,0|2,0,0]=3 4624 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|1,0,2]=4 4625 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|1,0,2]=4 4626 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|1,0,2]=4 4627 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [0,0,0,1,0,0|3,0,0]=4 4628 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|1,0,2]=4 4629 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|1,0,2]=4 4630 B9R1.39 COCCN1CCC1C 269982a_100000755817_100000233755 [0,0,0,1,0,0|3,0,0]=4 4631 B9R1.39 COCCN1CCC1C 34a_100000755817_100011201679 [0,0,0,1,0,0|3,0,0]=4 4632 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|1,0,2]=4 4633 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|1,0,2]=4 4634 B9R1.39 CSCCN1CCC1C 269982a_100000755817_100000212216 [0,0,0,1,0,0|3,0,0]=4 4635 B9R1.39 CSCCN1CCC1C 34a_100000755817_100000212216 [0,0,0,1,0,0|3,0,0]=4 4636 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|1,0,2]=4 4637 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|1,0,2]=4 4638 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,0,0,1,0,0|2,0,0]=3 4639 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,0,0,1,0,0|2,0,0]=3 4640 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,0,0,1,0,0|2,0,0]=3 4641 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,0,0,1,0,0|2,0,0]=3 4642 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,0,0,1,0,0|2,0,0]=3 4643 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,0,0,1,0,0|2,0,0]=3 4644 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,0,0,1,0,0|1,0,0]=2 4645 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,0,0,1,0,0|1,0,0]=2 4646 B9R1.49 CN1CCCN(CC1)C 2230a_100000211313_200000210301 [0,0,0,1,0,0|3,0,0]=4 4647 B9R1.49 CN1CCCN(CC1)C 269982a_100000211313_200000210301 [0,0,0,1,0,0|3,0,0]=4 4648 B9R1.49 CN1CCCN(CC1)[13CH3] 2230a_100000211313_200025704644 [0,0,0,1,0,0|3,0,0]=4 4649 B9R1.49 CN1CCCN(CC1)[13CH3] 269982a_100000211313_200025704644 [0,0,0,1,0,0|3,0,0]=4 4650 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,0,0,1,0,0|1,0,0]=2 4651 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,0,0,1,0,0|1,0,0]=2 4652 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 4653 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 4654 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 4655 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 4656 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 4657 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 4658 B9R1.58 CCC1CN(C1)CCF 2230a_100015205115_100011217306 [0,0,0,1,0,0|3,0,0]=4 4659 B9R1.58 CCC1CN(C1)CCF 269982a_100015205115_100011217306 [0,0,0,1,0,0|3,0,0]=4 4660 B9R1.58 CCC1CN(C1)CCO 2230a_100015205115_100000211926 [0,0,0,1,0,0|3,0,0]=4 4661 B9R1.58 CCC1CN(C1)CCO 269982a_100015205115_100000211926 [0,0,0,1,0,0|3,0,0]=4 4662 B9R1.58 CCC1CN(C1)COC 2230a_100015205115_100000766300 [0,0,0,1,0,0|3,0,0]=4 4663 B9R1.58 CCC1CN(C1)COC 269982a_100015205115_100000766300 [0,0,0,1,0,0|3,0,0]=4 4664 B9R1.58 CCC1CN(C1)CSC 2230a_100015205115_100011218213 [0,0,0,1,0,0|3,0,0]=4 4665 B9R1.58 CCC1CN(C1)CSC 269982a_100015205115_100011218213 [0,0,0,1,0,0|3,0,0]=4 4666 B9R1.58 CCCN1CC(C1)CC 2230a_100015205115_100000210303 [0,0,0,1,0,0|2,0,0]=3 4667 B9R1.58 CCCN1CC(C1)CC 269982a_100015205115_100000210303 [0,0,0,1,0,0|2,0,0]=3 4668 B9R1.58 CCCN1CC(C1)CF 269982a_100010363649_100000210303 [0,0,0,1,0,0|3,0,0]=4 4669 B9R1.58 CCCN1CC(C1)CF 34a_100010363649_100000210303 [0,0,0,1,0,0|3,0,0]=4 4670 B9R1.58 CCCN1CC(C1)CO 269982a_100016987283_100000210303 [0,0,0,1,0,0|3,0,0]=4 4671 B9R1.58 CCCN1CC(C1)CO 34a_100016987283_100000210303 [0,0,0,1,0,0|3,0,0]=4 4672 B9R1.58 CCCN1CC(C1)OC 269982a_100000755009_100000210303 [0,0,0,1,0,0|3,0,0]=4 4673 B9R1.58 CCCN1CC(C1)SC 269982a_100016990038_100000210303 [0,0,0,1,0,0|3,0,0]=4 4674 B9R1.58 CCN1CC(C1)COC 2230a_100016993750_100000210202 [0,0,0,1,0,0|3,0,0]=4 4675 B9R1.58 CCN1CC(C1)COC 269982a_100016993750_100000204670 [0,0,0,1,0,0|3,0,0]=4 4676 B9R1.58 CCN1CC(C1)COC 34a_100016993750_100000210202 [0,0,0,1,0,0|3,0,0]=4 4677 B9R1.58 CCNC1CC(C1)CO 270004a_100015525214_100000101936 [0,0,0,1,0,0|3,0,0]=4 4678 B9R1.58 CCNC1CN(C1)CC 2230a_200015199589_100000210202 [0,0,0,1,0,0|3,0,0]=4 4679 B9R1.58 CCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210202 [0,0,0,1,0,0|3,0,0]=4 4680 B9R1.58 CCOC1CN(C1)CC 269982a_100000732654_100000204670 [0,0,0,1,0,0|3,0,0]=4 4681 B9R1.58 CCOC1CN(C1)CC 34a_100000732654_100000210202 [0,0,0,1,0,0|3,0,0]=4 4682 B9R1.58 CCSC1CC(C1)CO 62a_100000210202_100009874164 [0,0,0,1,0,0|3,0,0]=4 4683 B9R1.58 CCSC1CC(C1)CO 62a_100009874164_100000210202 [0,0,0,1,0,0|3,0,0]=4 4684 B9R1.58 CNC1CC(C1)COC 2230a_100012180050_200000210301 [0,0,0,1,0,0|3,0,0]=4 4685 B9R1.58 CNC1CC(C1)COC 270004a_106832991635_100010371266 [0,0,0,1,0,0|3,0,0]=4 4686 B9R1.58 COCC1CC(C1)N[13CH3] 2230a_100012180050_200025704644 [0,0,0,1,0,0|3,0,0]=4 4687 B9R1.78 CCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000758301 [0,0,0,1,0,0|3,0,0]=4 4688 B9R1.78 CCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000758301 [0,0,0,1,0,0|3,0,0]=4 4689 B9R1.78 CCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100011215416 [0,0,0,1,0,0|3,0,0]=4 4690 B9R1.79 CC(CF)OC1CCC1 34a_100016041109_100000749161 [0,0,0,1,0,0|3,0,0]=4 4691 B9R1.79 CC(CN)OC1CCC1 34a_100000210904_100000749161 [0,0,0,1,0,0|3,0,0]=4 4692 B9R1.79 CC(CO)NC1CCC1 2230a_100000749019_100012180447 [0,0,0,1,0,0|3,0,0]=4 4693 B9R1.79 CC(CO)NC1CCC1 34a_100000749019_100012180447 [0,0,0,1,0,0|3,0,0]=4 4694 B9R1.79 CC(CO)OC1CCC1 34a_100000748187_100012180447 [0,0,0,1,0,0|3,0,0]=4 4695 B9R1.79 CC(CO)SC1CCC1 62a_100012180447_100000749161 [0,0,0,1,0,0|3,0,0]=4 4696 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,0,1,0,0|0,0,2]=3 4697 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,0,1,0,0|0,0,2]=3 4698 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,0,0,1,0,0|1,0,2]=4 4699 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,0,0,1,0,0|1,0,2]=4 4700 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,0,0,1,0,0|1,0,2]=4 4701 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,0,0,1,0,0|1,0,2]=4 4702 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,0,0,1,0,0|1,0,2]=4 4703 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,0,0,1,0,0|1,0,2]=4 4704 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,0,0,1,0,0|1,0,2]=4 4705 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,0,0,1,0,0|1,0,2]=4 4706 B9R1.79 CCC(C)CN1CCC1 269982a_100000754969_100000748023 [0,0,0,1,0,0|2,0,0]=3 4707 B9R1.79 CCC(C)NC1CCC1 2230a_100000749019_100000758301 [0,0,0,1,0,0|2,0,0]=3 4708 B9R1.79 CCC(C)NC1CCC1 270004a_100000209981_100000241760 [0,0,0,1,0,0|2,0,0]=3 4709 B9R1.79 CCC(C)NC1CCC1 34a_100000749019_100011215416 [0,0,0,1,0,0|2,0,0]=3 4710 B9R1.79 CCC(C)NC1COC1 2230a_100016991112_100000758301 [0,0,0,1,0,0|3,0,0]=4 4711 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [0,0,0,1,0,0|2,0,0]=3 4712 B9R1.79 CCC(C)OC1COC1 7a_100000210228_100009818527 [0,0,0,1,0,0|3,0,0]=4 4713 B9R1.79 CCC(C)OC1CSC1 7a_100000072292_100000758301 [0,0,0,1,0,0|3,0,0]=4 4714 B9R1.79 CCC(C)SC1CCC1 62a_100000758301_100000749161 [0,0,0,1,0,0|2,0,0]=3 4715 B9R1.79 CCC(C)SC1COC1 62a_100000758301_100009818527 [0,0,0,1,0,0|3,0,0]=4 4716 B9R1.79 CCC(O)CN1CCC1 269982a_100000754969_100011218378 [0,0,0,1,0,0|1,0,0]=2 4717 B9R1.79 CCN(C)CC1CCC1 2230a_100000225621_100000763275 [0,0,0,1,0,0|2,0,0]=3 4718 B9R1.79 CCN(C)CC1CCC1 2230a_200000750244_100000210202 [0,0,0,1,0,0|2,0,0]=3 4719 B9R1.79 CCN(C)CC1CCC1 269982a_100000225621_100000763275 [0,0,0,1,0,0|2,0,0]=3 4720 B9R1.79 CCN(C)CC1CCC1 269982a_200000750244_100000204670 [0,0,0,1,0,0|2,0,0]=3 4721 B9R1.79 CCN(C)CC1CCC1 34a_200000750244_100000210202 [0,0,0,1,0,0|2,0,0]=3 4722 B9R1.79 CCN(C)CC1CCO1 2230a_100000225621_100000103362 [0,0,0,1,0,0|3,0,0]=4 4723 B9R1.79 CCN(C)CC1CCO1 269982a_100000225621_100000103362 [0,0,0,1,0,0|3,0,0]=4 4724 B9R1.79 CCN(C)CC1COC1 2230a_100000225621_100010264016 [0,0,0,1,0,0|3,0,0]=4 4725 B9R1.79 CCN(C)CC1COC1 269982a_100000225621_100010264016 [0,0,0,1,0,0|3,0,0]=4 4726 B9R1.79 CC[C@H](C)CN1CCC1 269982a_100000754969_100009816398 [0,0,0,1,0,0|2,0,0]=3 4727 B9R1.79 CN(CF)CC1CCC1 269982a_200000750244_100015361967 [0,0,0,1,0,0|3,0,0]=4 4728 B9R1.79 CN(CF)CC1CCC1 34a_200000750244_100015361967 [0,0,0,1,0,0|3,0,0]=4 4729 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,0,0,1,0,0|1,0,2]=4 4730 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,0,0,1,0,0|1,0,2]=4 4731 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,0,0,1,0,0|1,0,2]=4 4732 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,0,0,1,0,0|1,0,2]=4 4733 B9R1.79 COC(C)SC1CCC1 62a_100009879195_100000749161 [0,0,0,1,0,0|3,0,0]=4 4734 B9R1.79 C[C@@H](CO)CN1CCC1 269982a_100000754969_100000059175 [0,0,0,1,0,0|3,0,0]=4 4735 B9R1.79 C[C@H](CF)NC1CCC1 270004a_100102880703_100000241760 [0,0,0,1,0,0|3,0,0]=4 4736 B9R1.79 C[C@H](CO)NC1CCC1 270004a_100000737577_100000241760 [0,0,0,1,0,0|3,0,0]=4 4737 B9R1.79 C[C@H](CO)SC1CCC1 62a_100016084084_100000749161 [0,0,0,1,0,0|3,0,0]=4 4738 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,0,0,1,0,0|1,0,2]=4 4739 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,0,0,1,0,0|1,0,2]=4 4740 B9R1.80 C=CC(O)CNC1CC1 34a_100000212008_100000730141 [0,0,0,1,0,0|1,0,2]=4 4741 B9R1.80 C=CC(O)CSC1CC1 62a_100000730141_100000211595 [0,0,0,1,0,0|1,0,2]=4 4742 B9R1.80 CC(CF)OCC1CC1 34a_100016041109_100000742324 [0,0,0,1,0,0|3,0,0]=4 4743 B9R1.80 CC(CF)OCC1CC1 7a_100016041109_100000742324 [0,0,0,1,0,0|3,0,0]=4 4744 B9R1.80 CC(CN)COC1CC1 34a_100000744482_100000211595 [0,0,0,1,0,0|3,0,0]=4 4745 B9R1.80 CC(CN)OCC1CC1 34a_100000210904_100000742324 [0,0,0,1,0,0|3,0,0]=4 4746 B9R1.80 CC(CO)CNC1CC1 34a_100000744482_100000211595 [0,0,0,1,0,0|3,0,0]=4 4747 B9R1.80 CC(CO)NCC1CC1 2230a_100000735609_100012180447 [0,0,0,1,0,0|3,0,0]=4 4748 B9R1.80 CC(CO)NCC1CC1 34a_100000735609_100012180447 [0,0,0,1,0,0|3,0,0]=4 4749 B9R1.80 CC(CO)OCC1CC1 34a_100000211283_100012180447 [0,0,0,1,0,0|3,0,0]=4 4750 B9R1.80 CC(CO)SCC1CC1 62a_100012180447_100000742324 [0,0,0,1,0,0|3,0,0]=4 4751 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,0,0,1,0,0|0,0,2]=3 4752 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,0,0,1,0,0|0,0,2]=3 4753 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,0,1,0,0|1,0,2]=4 4754 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,0,0,1,0,0|1,0,2]=4 4755 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,0,0,1,0,0|1,0,2]=4 4756 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,0,0,1,0,0|1,0,2]=4 4757 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,0,0,1,0,0|1,0,2]=4 4758 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,0,0,1,0,0|1,0,2]=4 4759 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,0,0,1,0,0|1,0,2]=4 4760 B9R1.80 CCC(C)CNC1CC1 34a_100000212008_100000748023 [0,0,0,1,0,0|2,0,0]=3 4761 B9R1.80 CCC(C)CSC1CC1 62a_100000748023_100000211595 [0,0,0,1,0,0|2,0,0]=3 4762 B9R1.80 CCC(C)NCC1CC1 2230a_100000209981_100000742324 [0,0,0,1,0,0|2,0,0]=3 4763 B9R1.80 CCC(C)NCC1CC1 2230a_100000735609_100000758301 [0,0,0,1,0,0|2,0,0]=3 4764 B9R1.80 CCC(C)NCC1CC1 269862a_100000209981_100000741477 [0,0,0,1,0,0|2,0,0]=3 4765 B9R1.80 CCC(C)NCC1CC1 34a_100000735609_100011215416 [0,0,0,1,0,0|2,0,0]=3 4766 B9R1.80 CCC(C)NCC1CO1 2230a_100000209981_100011216344 [0,0,0,1,0,0|3,0,0]=4 4767 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [0,0,0,1,0,0|2,0,0]=3 4768 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [0,0,0,1,0,0|2,0,0]=3 4769 B9R1.80 CCC(C)OCC1CO1 7a_100000210228_102125554688 [0,0,0,1,0,0|3,0,0]=4 4770 B9R1.80 CCC(C)OCC1CS1 7a_100000210228_100000031435 [0,0,0,1,0,0|3,0,0]=4 4771 B9R1.80 CCC(C)OC[C@@H]1CO1 34a_100000757423_100011215416 [0,0,0,1,0,0|3,0,0]=4 4772 B9R1.80 CCC(C)OC[C@@H]1CO1 7a_100000210228_100000745022 [0,0,0,1,0,0|3,0,0]=4 4773 B9R1.80 CCC(C)SCC1CC1 62a_100000756562_100000758301 [0,0,0,1,0,0|2,0,0]=3 4774 B9R1.80 CCC(C)SCC1CC1 62a_100000758301_100000742324 [0,0,0,1,0,0|2,0,0]=3 4775 B9R1.80 CCC(C)SCC1CO1 62a_100000758301_102125554688 [0,0,0,1,0,0|3,0,0]=4 4776 B9R1.80 CCC(C)SCC1CO1 62a_102125554688_100000758301 [0,0,0,1,0,0|3,0,0]=4 4777 B9R1.80 CCC(C)SCC1CS1 62a_100000031435_100000758301 [0,0,0,1,0,0|3,0,0]=4 4778 B9R1.80 CCC(C)SCC1CS1 62a_100000758301_100000031435 [0,0,0,1,0,0|3,0,0]=4 4779 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000745022_100000758301 [0,0,0,1,0,0|3,0,0]=4 4780 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000758301_100000745022 [0,0,0,1,0,0|3,0,0]=4 4781 B9R1.80 CCC(O)CNC1CC1 34a_100000212008_100011218378 [0,0,0,1,0,0|1,0,0]=2 4782 B9R1.80 CCC(O)CSC1CC1 62a_100011218378_100000211595 [0,0,0,1,0,0|1,0,0]=2 4783 B9R1.80 CCN(C)CCC1CC1 2230a_100000225621_100000694398 [0,0,0,1,0,0|2,0,0]=3 4784 B9R1.80 CCN(C)CCC1CC1 269982a_100000225621_100000694398 [0,0,0,1,0,0|2,0,0]=3 4785 B9R1.80 CCN(C)CCC1CO1 2230a_100000225621_100000732470 [0,0,0,1,0,0|3,0,0]=4 4786 B9R1.80 CCN(C)CCC1CO1 269982a_100000225621_100000732470 [0,0,0,1,0,0|3,0,0]=4 4787 B9R1.80 CC[C@H](C)CNC1CC1 34a_100000212008_100009816398 [0,0,0,1,0,0|2,0,0]=3 4788 B9R1.80 CC[C@H](C)CSC1CC1 62a_100009816398_100000211595 [0,0,0,1,0,0|2,0,0]=3 4789 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,0,0,1,0,0|1,0,2]=4 4790 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,0,0,1,0,0|1,0,2]=4 4791 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,0,0,1,0,0|1,0,2]=4 4792 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,0,0,1,0,0|1,0,2]=4 4793 B9R1.80 COC(C)COC1CC1 34a_100000690652_100000211595 [0,0,0,1,0,0|3,0,0]=4 4794 B9R1.80 COC(C)SCC1CC1 62a_100000756562_100009879195 [0,0,0,1,0,0|3,0,0]=4 4795 B9R1.80 COC(C)SCC1CC1 62a_100009879195_100000742324 [0,0,0,1,0,0|3,0,0]=4 4796 B9R1.80 C[C@@H](CO)CNC1CC1 34a_100000212008_100000059175 [0,0,0,1,0,0|3,0,0]=4 4797 B9R1.80 C[C@@H](CO)CSC1CC1 62a_100000059175_100000211595 [0,0,0,1,0,0|3,0,0]=4 4798 B9R1.80 C[C@H](CF)NCC1CC1 269862a_100102880703_100000741477 [0,0,0,1,0,0|3,0,0]=4 4799 B9R1.80 C[C@H](CO)NCC1CC1 2230a_100000737577_100000742324 [0,0,0,1,0,0|3,0,0]=4 4800 B9R1.80 C[C@H](CO)NCC1CC1 269862a_100000737577_100000741477 [0,0,0,1,0,0|3,0,0]=4 4801 B9R1.80 C[C@H](CO)SCC1CC1 62a_100000756562_100016084084 [0,0,0,1,0,0|3,0,0]=4 4802 B9R1.80 C[C@H](CO)SCC1CC1 62a_100016084084_100000742324 [0,0,0,1,0,0|3,0,0]=4 4803 B9R1.80 ClCC(Cl)COC1CC1 34a_100000033668_100000211595 [0,0,0,1,0,0|3,0,0]=4 4804 B9R1.80 NC[C@@H](F)COC1CC1 34a_100015665980_100000211595 [0,0,0,1,0,0|3,0,0]=4 4805 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,0,0,1,0,0|1,0,2]=4 4806 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,0,0,1,0,0|1,0,2]=4 4807 B9R1.80 OCC(O)CNC1CC1 34a_100000212008_100011219619 [0,0,0,1,0,0|2,0,0]=3 4808 B9R1.80 OCC(O)CSC1CC1 62a_100011219619_100000211595 [0,0,0,1,0,0|2,0,0]=3 4809 B9R1.80 OC[C@H](F)CNC1CC1 34a_100015665980_100000211595 [0,0,0,1,0,0|3,0,0]=4 4810 B9R1.80 OC[C@H](O)CNC1CC1 34a_100000212008_100009815848 [0,0,0,1,0,0|2,0,0]=3 4811 B9R1.80 OC[C@H](O)CSC1CC1 62a_100009815848_100000211595 [0,0,0,1,0,0|2,0,0]=3 4812 B9R1.80 O[C@@H](CF)CNC1CC1 34a_100000212008_100015614560 [0,0,0,1,0,0|2,0,0]=3 4813 B9R1.80 O[C@@H](CF)CSC1CC1 62a_100015614560_100000211595 [0,0,0,1,0,0|2,0,0]=3 4814 B9R1.81 CC(CO)N1CCC1C 34a_100000755817_100012180447 [0,0,0,1,0,0|3,0,0]=4 4815 B9R1.81 CC1CCN1[C@H](C)CO 269982a_100000755817_100016084084 [0,0,0,1,0,0|3,0,0]=4 4816 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,0,0,1,0,0|1,0,2]=4 4817 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,0,0,1,0,0|1,0,2]=4 4818 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,0,0,1,0,0|1,0,2]=4 4819 B9R1.81 CCC(C)N1CCC1C 269982a_100000755817_100000758301 [0,0,0,1,0,0|2,0,0]=3 4820 B9R1.81 CCC(C)N1CCC1C 34a_100000755817_100011215416 [0,0,0,1,0,0|2,0,0]=3 4821 B9R1.81 COC(C)N1CCC1C 269982a_100000755817_100009879195 [0,0,0,1,0,0|3,0,0]=4 4822 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,0,0,1,0,0|0,0,2]=3 4823 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,0,0,1,0,0|1,0,2]=4 4824 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,0,0,1,0,0|1,0,2]=4 4825 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,0,0,1,0,0|1,0,2]=4 4826 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,0,0,1,0,0|1,0,2]=4 4827 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,0,0,1,0,0|1,0,2]=4 4828 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,0,0,1,0,0|2,0,0]=3 4829 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,0,0,1,0,0|2,0,0]=3 4830 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,0,0,1,0,0|2,0,0]=3 4831 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,0,0,1,0,0|3,0,0]=4 4832 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,0,0,1,0,0|3,0,0]=4 4833 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,0,0,1,0,0|3,0,0]=4 4834 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,0,0,1,0,0|2,0,0]=3 4835 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,0,0,1,0,0|2,0,0]=3 4836 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,0,0,1,0,0|2,0,0]=3 4837 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,0,0,1,0,0|2,0,0]=3 4838 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [0,0,0,1,0,0|3,0,0]=4 4839 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,0,0,1,0,0|2,0,0]=3 4840 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,0,0,1,0,0|2,0,0]=3 4841 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,0,0,1,0,0|2,0,0]=3 4842 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,0,0,1,0,0|2,0,0]=3 4843 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,0,0,1,0,0|2,0,0]=3 4844 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,0,0,1,0,0|3,0,0]=4 4845 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,0,0,1,0,0|3,0,0]=4 4846 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,0,0,1,0,0|2,0,0]=3 4847 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,0,0,1,0,0|2,0,0]=3 4848 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,0,0,1,0,0|2,0,0]=3 4849 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,0,0,1,0,0|2,0,0]=3 4850 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,0,0,1,0,0|2,0,0]=3 4851 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,0,0,1,0,0|2,0,0]=3 4852 B9R1.99 C#CCNCC1(CC1)O 2230a_100011936951_100000038162 [0,0,0,1,0,0|1,0,2]=4 4853 B9R1.99 C=CCNCC1(CC1)O 2230a_100011936951_100000210623 [0,0,0,1,0,0|1,0,2]=4 4854 B9R1.99 CC1(CC1)CNCCF 2230a_100000766693_100011217306 [0,0,0,1,0,0|3,0,0]=4 4855 B9R1.99 CC1(CC1)CNCCO 2230a_100000766693_100000211926 [0,0,0,1,0,0|3,0,0]=4 4856 B9R1.99 CC1(CC1)COCCF 7a_100000698024_100011217306 [0,0,0,1,0,0|3,0,0]=4 4857 B9R1.99 CC1(CC1)COCCO 7a_100000698024_100000211926 [0,0,0,1,0,0|3,0,0]=4 4858 B9R1.99 CC1(CC1)NCCCF 2230a_100000757604_100011934791 [0,0,0,1,0,0|3,0,0]=4 4859 B9R1.99 CC1(CC1)NCCCO 2230a_100000757604_100000230001 [0,0,0,1,0,0|3,0,0]=4 4860 B9R1.99 CC1(CC1)OCCCF 7a_100011725673_100011934791 [0,0,0,1,0,0|3,0,0]=4 4861 B9R1.99 CC1(CC1)OCCCO 7a_100011725673_100011215043 [0,0,0,1,0,0|3,0,0]=4 4862 B9R1.99 CCCCNC1(CC1)C 2230a_100000757604_100000210211 [0,0,0,1,0,0|2,0,0]=3 4863 B9R1.99 CCCCOC1(CC1)C 7a_100011725673_100000210211 [0,0,0,1,0,0|2,0,0]=3 4864 B9R1.99 CCCNCC1(CC1)C 2230a_100000766693_100000210303 [0,0,0,1,0,0|2,0,0]=3 4865 B9R1.99 CCCNCC1(CC1)O 2230a_100011936951_100000210303 [0,0,0,1,0,0|1,0,0]=2 4866 B9R1.99 CCCOCC1(CC1)C 7a_100000698024_100000210303 [0,0,0,1,0,0|2,0,0]=3 4867 B9R1.99 CCCOCC1(CC1)F 34a_200000703853_100000210303 [0,0,0,1,0,0|2,0,0]=3 4868 B9R1.99 CCCOCC1(CC1)F 7a_200000703853_100000210303 [0,0,0,1,0,0|2,0,0]=3 4869 B9R1.99 CCCOCC1(CO1)C 34a_100000210258_100000760498 [0,0,0,1,0,0|3,0,0]=4 4870 B9R1.99 CCCSCC1(CO1)C 62a_100000210303_100000760498 [0,0,0,1,0,0|3,0,0]=4 4871 B9R1.99 CCCSCC1(CO1)C 62a_100000760498_100000210303 [0,0,0,1,0,0|3,0,0]=4 4872 B9R1.99 COCCNC1(CC1)C 2230a_100000757604_100011201679 [0,0,0,1,0,0|3,0,0]=4 4873 B9R1.99 COCCOC1(CC1)C 7a_100011725673_100000233755 [0,0,0,1,0,0|3,0,0]=4 4874 B9R1.99 COCNCC1(CC1)C 2230a_100000766693_100000766300 [0,0,0,1,0,0|3,0,0]=4 4875 B9R1.99 COCNCC1(CC1)O 2230a_100011936951_100000766300 [0,0,0,1,0,0|2,0,0]=3 4876 B9R1.99 CSCCNC1(CC1)C 2230a_100000757604_100000751147 [0,0,0,1,0,0|3,0,0]=4 4877 B9R1.99 CSCCOC1(CC1)C 7a_100011725673_100000212216 [0,0,0,1,0,0|3,0,0]=4 4878 B9R1.99 CSCNCC1(CC1)C 2230a_100000766693_100011218213 [0,0,0,1,0,0|3,0,0]=4 4879 B9R1.99 CSCNCC1(CC1)O 2230a_100011936951_100011218213 [0,0,0,1,0,0|2,0,0]=3 4880 B9R1.99 CSCOCC1(CC1)F 34a_200000703853_100011218213 [0,0,0,1,0,0|3,0,0]=4 4881 B9R1.99 FCCOCC1(CC1)F 34a_200000703853_100011217306 [0,0,0,1,0,0|3,0,0]=4 4882 B9R1.99 FCCOCC1(CC1)F 7a_200000703853_100011217306 [0,0,0,1,0,0|3,0,0]=4 4883 B9R1.99 N#CCNCC1(CC1)O 2230a_100011936951_100011215382 [0,0,0,1,0,0|2,0,1]=4 4884 B9R1.99 O=CCNCC1(CC1)O 2230a_100011936951_200015260668 [0,0,0,1,0,0|2,0,1]=4 4885 B9R1.99 OC1(CC1)CNCCF 2230a_100011936951_100011217306 [0,0,0,1,0,0|2,0,0]=3 4886 B9R1.99 OCCNCC1(CC1)O 2230a_100011936951_100000211926 [0,0,0,1,0,0|2,0,0]=3 4887 B9R1.99 OCCOCC1(CC1)F 34a_200000703853_100000211926 [0,0,0,1,0,0|3,0,0]=4 4888 B9R1.99 OCCOCC1(CC1)F 7a_200000703853_100000211926 [0,0,0,1,0,0|3,0,0]=4 4889 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [0,0,0,1,0,0|2,0,0]=3 4890 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [0,0,0,1,0,0|2,0,0]=3 4891 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [0,0,0,1,0,0|2,0,0]=3 4892 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [0,0,0,1,0,0|2,0,0]=3 4893 B9R1.118 CC1(CCOCC1)N[13CH3] 2230a_100000692449_200025704644 [0,0,0,1,0,0|3,0,0]=4 4894 B9R1.118 CC1(CCOCC1)N[13CH3] 34a_100000692449_200025704644 [0,0,0,1,0,0|3,0,0]=4 4895 B9R1.118 CC1(CCOCC1)O[13CH3] 34a_100011827762_200025704644 [0,0,0,1,0,0|3,0,0]=4 4896 B9R1.118 CC1(CCOCC1)O[13CH3] 7a_100011827762_200025704644 [0,0,0,1,0,0|3,0,0]=4 4897 B9R1.118 CC1(CCSCC1)O[13CH3] 34a_200011004327_200025704644 [0,0,0,1,0,0|3,0,0]=4 4898 B9R1.118 CC1(CCSCC1)O[13CH3] 7a_200011004327_200025704644 [0,0,0,1,0,0|3,0,0]=4 4899 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [0,0,0,1,0,0|2,0,0]=3 4900 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [0,0,0,1,0,0|2,0,0]=3 4901 B9R1.118 CNC1(CCOCC1)C 2230a_100000692449_200000210301 [0,0,0,1,0,0|3,0,0]=4 4902 B9R1.118 CNC1(CCOCC1)C 34a_100000692449_200000210301 [0,0,0,1,0,0|3,0,0]=4 4903 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [0,0,0,1,0,0|2,0,0]=3 4904 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [0,0,0,1,0,0|2,0,0]=3 4905 B9R1.118 COC1(CCOCC1)C 34a_100011827762_200000210301 [0,0,0,1,0,0|3,0,0]=4 4906 B9R1.118 COC1(CCOCC1)C 7a_100011827762_200000210301 [0,0,0,1,0,0|3,0,0]=4 4907 B9R1.118 COC1(CCSCC1)C 34a_200011004327_200000210301 [0,0,0,1,0,0|3,0,0]=4 4908 B9R1.118 COC1(CCSCC1)C 7a_200011004327_200000210301 [0,0,0,1,0,0|3,0,0]=4 4909 B9R1.135 C#CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000038162 [0,0,0,1,0,0|1,0,2]=4 4910 B9R1.135 C=CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210623 [0,0,0,1,0,0|1,0,2]=4 4911 B9R1.135 C=CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210623 [0,0,0,1,0,0|1,0,2]=4 4912 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,0,0,1,0,0|1,0,0]=2 4913 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,0,0,1,0,0|1,0,0]=2 4914 B9R1.135 COCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000766300 [0,0,0,1,0,0|2,0,0]=3 4915 B9R1.135 COCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000766300 [0,0,0,1,0,0|2,0,0]=3 4916 B9R1.135 CSCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011218213 [0,0,0,1,0,0|2,0,0]=3 4917 B9R1.135 CSCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011218213 [0,0,0,1,0,0|2,0,0]=3 4918 B9R1.135 C[C@H]1[C@H](CN1CC#N)O 2230a_206633788156_100011215382 [0,0,0,1,0,0|2,0,1]=4 4919 B9R1.135 C[C@H]1[C@H](CN1CC#N)O 269982a_206633788156_100011214920 [0,0,0,1,0,0|2,0,1]=4 4920 B9R1.135 C[C@H]1[C@H](CN1CC=O)O 2230a_206633788156_200015260668 [0,0,0,1,0,0|2,0,1]=4 4921 B9R1.135 C[C@H]1[C@H](CN1CC=O)O 269982a_206633788156_200015260668 [0,0,0,1,0,0|2,0,1]=4 4922 B9R1.135 C[C@H]1[C@H](CN1CCF)O 2230a_206633788156_100011217306 [0,0,0,1,0,0|2,0,0]=3 4923 B9R1.135 C[C@H]1[C@H](CN1CCF)O 269982a_206633788156_100011217306 [0,0,0,1,0,0|2,0,0]=3 4924 B9R1.135 C[C@H]1[C@H](CN1CCO)O 2230a_206633788156_100000211926 [0,0,0,1,0,0|2,0,0]=3 4925 B9R1.135 C[C@H]1[C@H](CN1CCO)O 269982a_206633788156_100000211926 [0,0,0,1,0,0|2,0,0]=3 4926 B9R1.202 CN1CCC[C@@]1(C)CO 2230a_100016195882_200000210301 [0,0,0,1,0,0|3,0,0]=4 4927 B9R1.202 CN1CCC[C@@]1(C)CO 269982a_100016195882_200000210301 [0,0,0,1,0,0|3,0,0]=4 4928 B9R1.202 CN1CCC[C@@]1(C)CO 34a_100016195882_200000210301 [0,0,0,1,0,0|3,0,0]=4 4929 B9R1.202 CO[C@@]1(CCC[C@H]1N)C 34a_100015977457_200000210301 [0,0,0,1,0,0|3,0,0]=4 4930 B9R1.202 C[C@]1(CCCN1[13CH3])CO 2230a_100016195882_200025704644 [0,0,0,1,0,0|3,0,0]=4 4931 B9R1.202 C[C@]1(CCCN1[13CH3])CO 269982a_100016195882_200025704644 [0,0,0,1,0,0|3,0,0]=4 4932 B9R1.202 C[C@]1(CCCN1[13CH3])CO 34a_100016195882_200025704644 [0,0,0,1,0,0|3,0,0]=4 4933 B9R1.202 C[C@]1(CCC[C@H]1N)O[13CH3] 34a_100015977457_200025704644 [0,0,0,1,0,0|3,0,0]=4 4934 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,0]=3 4935 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 4936 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,0]=3 4937 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 4938 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,0]=3 4939 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 4940 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,0]=3 4941 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 4942 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 4943 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 4944 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,0]=3 4945 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,0]=3 4946 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,0]=3 4947 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,0]=3 4948 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,0]=3 4949 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,0]=3 4950 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,0]=3 4951 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 4952 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 4953 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,0]=3 4954 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 4955 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 4956 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 4957 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,0]=3 4958 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,0]=3 4959 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 4960 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 4961 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 4962 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,0]=3 4963 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,0]=3 4964 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 4965 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,0]=3 4966 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|2,0,0]=4 4967 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|2,0,0]=4 4968 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,0]=3 4969 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|2,0,0]=4 4970 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,0]=3 4971 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|2,0,0]=4 4972 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|2,0,0]=4 4973 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,0]=3 4974 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,0]=3 4975 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|2,0,0]=4 4976 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|2,0,0]=4 4977 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|2,0,0]=4 4978 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|2,0,0]=4 4979 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 4980 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 4981 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 4982 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,0]=3 4983 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|2,0,0]=4 4984 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|2,0,0]=4 4985 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|2,0,0]=4 4986 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|2,0,0]=4 4987 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 4988 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 4989 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 4990 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 4991 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 4992 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,0]=3 4993 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 4994 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 4995 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|2,0,0]=4 4996 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 4997 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 4998 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 4999 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 5000 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 5001 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|2,0,0]=4 5002 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|2,0,0]=4 5003 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|2,0,0]=4 5004 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 5005 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 5006 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 5007 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 5008 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|2,0,0]=4 5009 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|2,0,0]=4 5010 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|2,0,0]=4 5011 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 5012 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|2,0,0]=4 5013 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|2,0,0]=4 5014 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|2,0,0]=4 5015 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|2,0,0]=4 5016 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 5017 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 5018 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,0]=3 5019 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,0]=3 5020 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|2,0,0]=4 5021 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 5022 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|2,0,0]=4 5023 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 5024 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|2,0,0]=4 5025 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 5026 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|2,0,0]=4 5027 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|2,0,0]=4 5028 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|2,0,0]=4 5029 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 5030 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 5031 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 5032 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|2,0,0]=4 5033 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|2,0,0]=4 5034 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|2,0,0]=4 5035 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|2,0,0]=4 5036 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|2,0,0]=4 5037 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|2,0,0]=4 5038 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 5039 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 5040 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 5041 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 5042 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 5043 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 5044 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,0]=3 5045 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 5046 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 5047 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|2,0,0]=4 5048 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|2,0,0]=4 5049 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|2,0,0]=4 5050 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 5051 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|2,0,0]=4 5052 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|2,0,0]=4 5053 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|2,0,0]=4 5054 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 5055 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 5056 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 5057 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|2,0,0]=4 5058 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 5059 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|2,0,0]=4 5060 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 5061 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,0]=3 5062 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|2,0,0]=4 5063 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|2,0,0]=4 5064 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|2,0,0]=4 5065 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|2,0,0]=4 5066 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 5067 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|2,0,0]=4 5068 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|2,0,0]=4 5069 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 5070 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|2,0,0]=4 5071 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|2,0,0]=4 5072 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [2,0,0,0,0,0|2,0,0]=4 5073 B6R0.6 COCSCCO 62a_100000211926_100000766300 [2,0,0,0,0,0|2,0,0]=4 5074 B6R0.6 COCSCCO 62a_100000766300_100000211926 [2,0,0,0,0,0|2,0,0]=4 5075 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|2,0,0]=4 5076 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|2,0,0]=4 5077 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 5078 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,0]=3 5079 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|2,0,0]=4 5080 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 5081 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 5082 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|2,0,0]=4 5083 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|2,0,0]=4 5084 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [2,0,0,0,0,0|2,0,0]=4 5085 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [2,0,0,0,0,0|2,0,0]=4 5086 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [2,0,0,0,0,0|2,0,0]=4 5087 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [2,0,0,0,0,0|2,0,0]=4 5088 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [2,0,0,0,0,0|2,0,0]=4 5089 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [2,0,0,0,0,0|2,0,0]=4 5090 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [2,0,0,0,0,0|2,0,0]=4 5091 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [2,0,0,0,0,0|2,0,0]=4 5092 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|2,0,0]=4 5093 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|2,0,0]=4 5094 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 5095 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [2,0,0,0,0,0|2,0,0]=4 5096 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [2,0,0,0,0,0|2,0,0]=4 5097 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 5098 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 5099 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 5100 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|2,0,0]=4 5101 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 5102 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 5103 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 5104 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 5105 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|2,0,0]=4 5106 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 5107 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|2,0,0]=4 5108 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|2,0,0]=4 5109 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 5110 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,0]=3 5111 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [2,0,0,0,0,0|2,0,0]=4 5112 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [2,0,0,0,0,0|2,0,0]=4 5113 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [2,0,0,0,0,0|2,0,0]=4 5114 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [2,0,0,0,0,0|2,0,0]=4 5115 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [2,0,0,0,0,0|2,0,0]=4 5116 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [2,0,0,0,0,0|2,0,0]=4 5117 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [2,0,0,0,0,0|2,0,0]=4 5118 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [2,0,0,0,0,0|2,0,0]=4 5119 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [2,0,0,0,0,0|2,0,0]=4 5120 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [2,0,0,0,0,0|2,0,0]=4 5121 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [2,0,0,0,0,0|2,0,0]=4 5122 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [2,0,0,0,0,0|1,0,0]=3 5123 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [2,0,0,0,0,0|1,0,0]=3 5124 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [2,0,0,0,0,0|1,0,0]=3 5125 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [2,0,0,0,0,0|1,0,0]=3 5126 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [2,0,0,0,0,0|1,0,0]=3 5127 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [2,0,0,0,0,0|1,0,0]=3 5128 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [2,0,0,0,0,0|1,0,0]=3 5129 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [2,0,0,0,0,0|1,0,0]=3 5130 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [2,0,0,0,0,0|1,0,0]=3 5131 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [2,0,0,0,0,0|1,0,0]=3 5132 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,2]=4 5133 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,2]=4 5134 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [2,0,0,0,0,0|2,0,0]=4 5135 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [2,0,0,0,0,0|2,0,0]=4 5136 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [2,0,0,0,0,0|2,0,0]=4 5137 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [2,0,0,0,0,0|2,0,0]=4 5138 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [2,0,0,0,0,0|2,0,0]=4 5139 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [2,0,0,0,0,0|2,0,0]=4 5140 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|2,0,0]=4 5141 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|2,0,0]=4 5142 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|2,0,0]=4 5143 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|2,0,0]=4 5144 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|2,0,0]=4 5145 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [2,0,0,0,0,0|2,0,0]=4 5146 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [2,0,0,0,0,0|2,0,0]=4 5147 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [2,0,0,0,0,0|2,0,0]=4 5148 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [2,0,0,0,0,0|2,0,0]=4 5149 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 5150 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 5151 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [2,0,0,0,0,0|2,0,0]=4 5152 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [2,0,0,0,0,0|2,0,0]=4 5153 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [2,0,0,0,0,0|2,0,0]=4 5154 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [2,0,0,0,0,0|2,0,0]=4 5155 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 5156 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [2,0,0,0,0,0|2,0,0]=4 5157 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [2,0,0,0,0,0|2,0,0]=4 5158 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [2,0,0,0,0,0|2,0,0]=4 5159 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [2,0,0,0,0,0|2,0,0]=4 5160 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [2,0,0,0,0,0|2,0,0]=4 5161 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [2,0,0,0,0,0|2,0,0]=4 5162 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [2,0,0,0,0,0|2,0,0]=4 5163 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [2,0,0,0,0,0|2,0,0]=4 5164 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [2,0,0,0,0,0|2,0,0]=4 5165 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [2,0,0,0,0,0|2,0,0]=4 5166 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [2,0,0,0,0,0|2,0,0]=4 5167 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [2,0,0,0,0,0|2,0,0]=4 5168 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [2,0,0,0,0,0|2,0,0]=4 5169 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [2,0,0,0,0,0|2,0,0]=4 5170 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [2,0,0,0,0,0|2,0,0]=4 5171 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [2,0,0,0,0,0|2,0,0]=4 5172 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [2,0,0,0,0,0|2,0,0]=4 5173 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [2,0,0,0,0,0|2,0,0]=4 5174 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [2,0,0,0,0,0|2,0,0]=4 5175 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [2,0,0,0,0,0|2,0,0]=4 5176 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [2,0,0,0,0,0|2,0,0]=4 5177 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [2,0,0,0,0,0|2,0,0]=4 5178 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [2,0,0,0,0,0|2,0,0]=4 5179 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [2,0,0,0,0,0|2,0,0]=4 5180 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [2,0,0,0,0,0|2,0,0]=4 5181 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [2,0,0,0,0,0|2,0,0]=4 5182 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [2,0,0,0,0,0|2,0,0]=4 5183 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [2,0,0,0,0,0|2,0,0]=4 5184 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [2,0,0,0,0,0|2,0,0]=4 5185 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [2,0,0,0,0,0|2,0,0]=4 5186 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [2,0,0,0,0,0|2,0,0]=4 5187 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [2,0,0,0,0,0|2,0,0]=4 5188 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [2,0,0,0,0,0|2,0,0]=4 5189 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [2,0,0,0,0,0|2,0,0]=4 5190 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [2,0,0,0,0,0|2,0,0]=4 5191 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [2,0,0,0,0,0|2,0,0]=4 5192 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [2,0,0,0,0,0|2,0,0]=4 5193 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [2,0,0,0,0,0|2,0,0]=4 5194 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [2,0,0,0,0,0|2,0,0]=4 5195 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [2,0,0,0,0,0|2,0,0]=4 5196 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [2,0,0,0,0,0|2,0,0]=4 5197 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [2,0,0,0,0,0|2,0,0]=4 5198 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [2,0,0,0,0,0|2,0,0]=4 5199 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [2,0,0,0,0,0|2,0,0]=4 5200 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|2,0,0]=4 5201 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|2,0,0]=4 5202 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|2,0,0]=4 5203 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|2,0,0]=4 5204 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [2,0,0,0,0,0|1,0,0]=3 5205 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|1,0,0]=3 5206 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|1,0,0]=3 5207 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [2,0,0,0,0,0|2,0,0]=4 5208 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [2,0,0,0,0,0|2,0,0]=4 5209 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [2,0,0,0,0,0|2,0,0]=4 5210 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,2]=4 5211 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,2]=4 5212 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,2]=4 5213 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 5214 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 5215 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 5216 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 5217 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 5218 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 5219 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [2,0,0,0,0,0|2,0,0]=4 5220 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [2,0,0,0,0,0|2,0,0]=4 5221 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|2,0,0]=4 5222 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|2,0,0]=4 5223 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [2,0,0,0,0,0|2,0,0]=4 5224 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [2,0,0,0,0,0|2,0,0]=4 5225 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|2,0,0]=4 5226 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|2,0,0]=4 5227 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|2,0,0]=4 5228 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|2,0,0]=4 5229 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,0,0,0,0|1,0,0]=3 5230 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,0,0,0,0|1,0,0]=3 5231 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,0,0,0,0|1,0,0]=3 5232 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,0,0,0,0|1,0,0]=3 5233 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [2,0,0,0,0,0|2,0,0]=4 5234 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|2,0,0]=4 5235 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|2,0,0]=4 5236 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [2,0,0,0,0,0|2,0,0]=4 5237 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|1,0,0]=3 5238 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [2,0,0,0,0,0|2,0,0]=4 5239 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [2,0,0,0,0,0|2,0,0]=4 5240 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|1,0,0]=3 5241 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|2,0,0]=4 5242 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|2,0,0]=4 5243 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,0,0,0,0|1,0,0]=3 5244 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,0,0,0,0|1,0,0]=3 5245 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,0,0,0,0|1,0,0]=3 5246 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,0,0,0,0|1,0,0]=3 5247 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [2,0,0,0,0,0|2,0,0]=4 5248 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [2,0,0,0,0,0|2,0,0]=4 5249 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [2,0,0,0,0,0|2,0,0]=4 5250 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [2,0,0,0,0,0|2,0,0]=4 5251 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [2,0,0,0,0,0|1,0,0]=3 5252 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [2,0,0,0,0,0|1,0,0]=3 5253 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [2,0,0,0,0,0|1,0,0]=3 5254 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [2,0,0,0,0,0|1,0,0]=3 5255 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [2,0,0,0,0,0|2,0,0]=4 5256 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|2,0,0]=4 5257 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|2,0,0]=4 5258 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|2,0,0]=4 5259 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|1,0,0]=3 5260 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|2,0,0]=4 5261 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|2,0,0]=4 5262 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|2,0,0]=4 5263 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|1,0,0]=3 5264 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|1,0,0]=3 5265 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|2,0,0]=4 5266 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [2,0,0,0,0,0|2,0,0]=4 5267 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [2,0,0,0,0,0|2,0,0]=4 5268 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|1,0,1]=4 5269 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|1,0,1]=4 5270 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,1]=4 5271 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,1]=4 5272 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,1]=4 5273 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,1]=4 5274 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,1,0,0,0,0|1,0,1]=4 5275 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,1,0,0,0,0|1,0,1]=4 5276 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,1,0,0,0,0|1,0,1]=4 5277 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,1,0,0,0,0|1,0,1]=4 5278 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,1,0,0,0,0|1,0,1]=4 5279 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|1,0,0]=3 5280 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|1,0,0]=3 5281 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|1,0,0]=3 5282 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|1,0,0]=3 5283 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,1,0,0,0,0|1,0,0]=3 5284 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,1,0,0,0,0|1,0,0]=3 5285 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,0]=3 5286 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,0]=3 5287 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,0]=3 5288 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 5289 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 5290 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,1,0,0,0,0|1,0,0]=3 5291 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,1,0,0,0,0|1,0,0]=3 5292 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [1,1,0,0,0,0|2,0,0]=4 5293 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [1,1,0,0,0,0|2,0,0]=4 5294 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [1,1,0,0,0,0|2,0,0]=4 5295 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [1,1,0,0,0,0|2,0,0]=4 5296 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [1,1,0,0,0,0|2,0,0]=4 5297 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [1,1,0,0,0,0|2,0,0]=4 5298 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [1,1,0,0,0,0|2,0,0]=4 5299 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [1,1,0,0,0,0|2,0,0]=4 5300 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [1,1,0,0,0,0|2,0,0]=4 5301 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [1,1,0,0,0,0|2,0,0]=4 5302 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [1,1,0,0,0,0|2,0,0]=4 5303 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [1,1,0,0,0,0|2,0,0]=4 5304 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [1,1,0,0,0,0|2,0,0]=4 5305 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [1,1,0,0,0,0|2,0,0]=4 5306 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,1,0,0,0,0|2,0,0]=4 5307 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,1,0,0,0,0|2,0,0]=4 5308 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [1,1,0,0,0,0|2,0,0]=4 5309 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [1,1,0,0,0,0|2,0,0]=4 5310 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [1,1,0,0,0,0|2,0,0]=4 5311 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [1,1,0,0,0,0|2,0,0]=4 5312 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [1,1,0,0,0,0|2,0,0]=4 5313 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [1,1,0,0,0,0|2,0,0]=4 5314 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [1,1,0,0,0,0|2,0,0]=4 5315 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [1,1,0,0,0,0|2,0,0]=4 5316 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [1,1,0,0,0,0|2,0,0]=4 5317 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|0,0,1]=3 5318 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|0,0,1]=3 5319 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|1,0,1]=4 5320 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|1,0,1]=4 5321 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|1,0,1]=4 5322 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|1,0,1]=4 5323 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|1,0,1]=4 5324 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 5325 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 5326 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 5327 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,0]=3 5328 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,0]=3 5329 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,0]=3 5330 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,0]=3 5331 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|1,0,0]=3 5332 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|1,0,0]=3 5333 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|1,0,0]=3 5334 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,0]=3 5335 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,0]=3 5336 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,0]=3 5337 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 5338 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 5339 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|1,0,0]=3 5340 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|1,0,0]=3 5341 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [1,1,0,0,0,0|2,0,0]=4 5342 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [1,1,0,0,0,0|2,0,0]=4 5343 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,1,0,0,0,0|1,0,0]=3 5344 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,1,0,0,0,0|1,0,0]=3 5345 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,1,0,0,0,0|1,0,0]=3 5346 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,1,0,0,0,0|1,0,0]=3 5347 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,1,0,0,0,0|1,0,0]=3 5348 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,1,0,0,0,0|1,0,0]=3 5349 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [1,1,0,0,0,0|2,0,0]=4 5350 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [1,1,0,0,0,0|2,0,0]=4 5351 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [1,1,0,0,0,0|2,0,0]=4 5352 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [1,1,0,0,0,0|2,0,0]=4 5353 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [1,1,0,0,0,0|2,0,0]=4 5354 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [1,1,0,0,0,0|2,0,0]=4 5355 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [1,1,0,0,0,0|2,0,0]=4 5356 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [1,1,0,0,0,0|2,0,0]=4 5357 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 5358 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 5359 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [1,1,0,0,0,0|2,0,0]=4 5360 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [1,1,0,0,0,0|2,0,0]=4 5361 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,1,0,0,0,0|1,0,0]=3 5362 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,1,0,0,0,0|1,0,0]=3 5363 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [1,1,0,0,0,0|2,0,0]=4 5364 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [1,1,0,0,0,0|2,0,0]=4 5365 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,0]=3 5366 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,0]=3 5367 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [1,1,0,0,0,0|2,0,0]=4 5368 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [1,1,0,0,0,0|2,0,0]=4 5369 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [1,1,0,0,0,0|2,0,0]=4 5370 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [1,1,0,0,0,0|2,0,0]=4 5371 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [1,1,0,0,0,0|2,0,0]=4 5372 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [1,1,0,0,0,0|2,0,0]=4 5373 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [1,1,0,0,0,0|2,0,0]=4 5374 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [1,1,0,0,0,0|2,0,0]=4 5375 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [1,1,0,0,0,0|2,0,0]=4 5376 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [1,1,0,0,0,0|2,0,0]=4 5377 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [1,1,0,0,0,0|2,0,0]=4 5378 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [1,1,0,0,0,0|2,0,0]=4 5379 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [1,1,0,0,0,0|2,0,0]=4 5380 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [1,1,0,0,0,0|2,0,0]=4 5381 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [1,1,0,0,0,0|2,0,0]=4 5382 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [1,1,0,0,0,0|2,0,0]=4 5383 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [1,1,0,0,0,0|2,0,0]=4 5384 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [1,1,0,0,0,0|2,0,0]=4 5385 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [1,1,0,0,0,0|2,0,0]=4 5386 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 5387 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 5388 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 5389 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 5390 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,1,0,0,0,0|1,0,0]=3 5391 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,1,0,0,0,0|1,0,0]=3 5392 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [1,1,0,0,0,0|2,0,0]=4 5393 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [1,1,0,0,0,0|2,0,0]=4 5394 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [1,1,0,0,0,0|2,0,0]=4 5395 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [1,1,0,0,0,0|2,0,0]=4 5396 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [1,1,0,0,0,0|2,0,0]=4 5397 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [1,1,0,0,0,0|2,0,0]=4 5398 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,1,0,0,0,0|1,0,0]=3 5399 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,1,0,0,0,0|1,0,0]=3 5400 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,1,0,0,0,0|1,0,0]=3 5401 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,1,0,0,0,0|2,0,0]=4 5402 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 5403 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 5404 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 5405 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 5406 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,1,0,0,0,0|2,0,0]=4 5407 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,1,0,0,0,0|2,0,0]=4 5408 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,1,0,0,0,0|1,0,0]=3 5409 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,1,0,0,0,0|1,0,0]=3 5410 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [1,1,0,0,0,0|2,0,0]=4 5411 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [1,1,0,0,0,0|2,0,0]=4 5412 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [1,1,0,0,0,0|2,0,0]=4 5413 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [1,1,0,0,0,0|2,0,0]=4 5414 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|1,0,0]=3 5415 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|1,0,0]=3 5416 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,0]=3 5417 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [1,1,0,0,0,0|2,0,0]=4 5418 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [1,1,0,0,0,0|2,0,0]=4 5419 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [1,1,0,0,0,0|2,0,0]=4 5420 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [1,1,0,0,0,0|2,0,0]=4 5421 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 5422 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 5423 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 5424 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 5425 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [1,1,0,0,0,0|2,0,0]=4 5426 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,1,0,0,0,0|2,0,0]=4 5427 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,1,0,0,0,0|2,0,0]=4 5428 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|2,0,0]=4 5429 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 5430 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 5431 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 5432 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 5433 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,1,0,0,0,0|2,0,0]=4 5434 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [1,1,0,0,0,0|2,0,0]=4 5435 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [1,1,0,0,0,0|2,0,0]=4 5436 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 5437 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 5438 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|2,0,0]=4 5439 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|2,0,0]=4 5440 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 5441 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 5442 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,1,0,0,0,0|0,0,2]=4 5443 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,1,0,0,0,0|0,0,2]=4 5444 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,1,0,0,0,0|0,0,2]=4 5445 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,1,0,0,0,0|0,0,2]=4 5446 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,1,0,0,0,0|0,0,2]=4 5447 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,1,0,0,0,0|0,0,2]=4 5448 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,1,0,0,0,0|0,0,2]=4 5449 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,1,0,0,0,0|0,0,2]=4 5450 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,1,0,0,0,0|0,0,2]=4 5451 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,1,0,0,0,0|0,0,2]=4 5452 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,1,0,0,0,0|0,0,2]=4 5453 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,1,0,0,0,0|0,0,2]=4 5454 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,1,0,0,0,0|0,0,2]=4 5455 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,1,0,0,0,0|0,0,2]=4 5456 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,1,0,0,0,0|0,0,2]=4 5457 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,1,0,0,0,0|0,0,2]=4 5458 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,1,0,0,0,0|0,0,2]=4 5459 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,1,0,0,0,0|0,0,2]=4 5460 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,1,0,0,0,0|0,0,2]=4 5461 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,1,0,0,0,0|0,0,2]=4 5462 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,1,0,0,0,0|0,0,2]=4 5463 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,1,0,0,0,0|0,0,2]=4 5464 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,1,0,0,0,0|0,0,2]=4 5465 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,1,0,0,0,0|0,0,2]=4 5466 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,1,0,0,0,0|0,0,2]=4 5467 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,1,0,0,0,0|0,0,2]=4 5468 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,1,0,0,0,0|0,0,2]=4 5469 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,1,0,0,0,0|0,0,2]=4 5470 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,1,0,0,0,0|0,0,2]=4 5471 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,1,0,0,0,0|0,0,2]=4 5472 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,1,0,0,0,0|0,0,2]=4 5473 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,1,0,0,0,0|0,0,2]=4 5474 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,1,0,0,0,0|0,0,2]=4 5475 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,1,0,0,0,0|0,0,2]=4 5476 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,1,0,0,0,0|0,0,2]=4 5477 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,1,0,0,0,0|0,0,2]=4 5478 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,1,0,0,0,0|0,0,2]=4 5479 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,1,0,0,0,0|0,0,2]=4 5480 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,1,0,0,0,0|0,0,2]=4 5481 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,1,0,0,0,0|0,0,2]=4 5482 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|0,0,2]=4 5483 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|0,0,2]=4 5484 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|0,0,2]=4 5485 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|0,0,2]=4 5486 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|0,0,2]=4 5487 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|0,0,2]=4 5488 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|0,0,2]=4 5489 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,1,0,0,0,0|0,0,2]=4 5490 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,1,0,0,0,0|0,0,2]=4 5491 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,1,0,0,0,0|0,0,2]=4 5492 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,1,0,0,0,0|0,0,2]=4 5493 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,1,0,0,0,0|0,0,2]=4 5494 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,1,0,0,0,0|0,0,2]=4 5495 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,1,0,0,0,0|0,0,2]=4 5496 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,1,0,0,0,0|0,0,2]=4 5497 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,1,0,0,0,0|0,0,2]=4 5498 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,1,0,0,0,0|0,0,2]=4 5499 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,1,0,0,0,0|0,0,2]=4 5500 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,1,0,0,0,0|0,0,2]=4 5501 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,1,0,0,0,0|0,0,2]=4 5502 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,1,0,0,0,0|0,0,2]=4 5503 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,1,0,0,0,0|0,0,2]=4 5504 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,1,0,0,0,0|0,0,2]=4 5505 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,1,0,0,0,0|0,0,2]=4 5506 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,1,0,0,0,0|0,0,2]=4 5507 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|0,0,2]=4 5508 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|0,0,2]=4 5509 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,1,0,0,0,0|0,0,2]=4 5510 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,1,0,0,0,0|0,0,2]=4 5511 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,1,0,0,0,0|0,0,2]=4 5512 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,1,0,0,0,0|0,0,2]=4 5513 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,1,0,0,0,0|0,0,2]=4 5514 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,1,0,0,0,0|0,0,2]=4 5515 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,1,0,0,0,0|0,0,2]=4 5516 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,1,0,0,0,0|0,0,2]=4 5517 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,1,0,0,0,0|0,0,2]=4 5518 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,1,0,0,0,0|0,0,2]=4 5519 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,1,0,0,0,0|0,0,2]=4 5520 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,1,0,0,0,0|0,0,2]=4 5521 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,1,0,0,0,0|0,0,2]=4 5522 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,1,0,0,0,0|0,0,2]=4 5523 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,1,0,0,0,0|0,0,2]=4 5524 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,1,0,0,0,0|0,0,2]=4 5525 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,1,0,0,0,0|0,0,2]=4 5526 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|0,0,2]=4 5527 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|0,0,2]=4 5528 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|0,0,2]=4 5529 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,1,0,0,0,0|0,0,2]=4 5530 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,1,0,0,0,0|0,0,2]=4 5531 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,1,0,0,0,0|0,0,2]=4 5532 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [1,1,0,0,0,0|0,0,2]=4 5533 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [1,1,0,0,0,0|0,0,2]=4 5534 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [1,1,0,0,0,0|0,0,2]=4 5535 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [1,1,0,0,0,0|0,0,2]=4 5536 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [1,1,0,0,0,0|0,0,2]=4 5537 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [1,1,0,0,0,0|0,0,2]=4 5538 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [1,1,0,0,0,0|0,0,2]=4 5539 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [1,1,0,0,0,0|0,0,2]=4 5540 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [1,1,0,0,0,0|0,0,2]=4 5541 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|0,0,2]=4 5542 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|0,0,2]=4 5543 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|0,0,2]=4 5544 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|0,0,2]=4 5545 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|0,0,2]=4 5546 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|0,0,2]=4 5547 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|0,0,2]=4 5548 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|0,0,2]=4 5549 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|0,0,2]=4 5550 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|0,0,2]=4 5551 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|0,0,2]=4 5552 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|0,0,2]=4 5553 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|0,0,2]=4 5554 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|0,0,2]=4 5555 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|0,0,2]=4 5556 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|0,0,2]=4 5557 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|0,0,2]=4 5558 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|0,0,2]=4 5559 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|0,0,2]=4 5560 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|0,0,2]=4 5561 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|0,0,2]=4 5562 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|1,0,1]=4 5563 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,1,0,0,0,0|0,0,2]=4 5564 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,1,0,0,0,0|0,0,2]=4 5565 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,1,0,0,0,0|0,0,2]=4 5566 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,1,0,0,0,0|0,0,2]=4 5567 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [1,1,0,0,0,0|0,0,2]=4 5568 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [1,1,0,0,0,0|0,0,2]=4 5569 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,1,0,0,0,0|0,0,2]=4 5570 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,1,0,0,0,0|0,0,2]=4 5571 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,1,0,0,0,0|1,0,1]=4 5572 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [1,1,0,0,0,0|0,0,2]=4 5573 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [1,1,0,0,0,0|0,0,2]=4 5574 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [1,1,0,0,0,0|0,0,2]=4 5575 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [1,1,0,0,0,0|0,0,2]=4 5576 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,1,0,0,0,0|0,0,2]=4 5577 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,1,0,0,0,0|0,0,2]=4 5578 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|0,0,2]=4 5579 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|0,0,2]=4 5580 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|0,0,2]=4 5581 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|0,0,2]=4 5582 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,1,0,0,0,0|1,0,1]=4 5583 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [1,1,0,0,0,0|0,0,2]=4 5584 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [1,1,0,0,0,0|0,0,2]=4 5585 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [1,1,0,0,0,0|0,0,2]=4 5586 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [1,1,0,0,0,0|0,0,2]=4 5587 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,1,0,0,0,0|1,0,1]=4 5588 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,1,0,0,0,0|0,0,0]=2 5589 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,1,0,0,0,0|0,0,0]=2 5590 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,1,0,0,0,0|0,0,0]=2 5591 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,1,0,0,0,0|0,0,0]=2 5592 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,1,0,0,0,0|0,0,0]=2 5593 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,1,0,0,0,0|0,0,0]=2 5594 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,1,0,0,0,0|0,0,0]=2 5595 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,1,0,0,0,0|0,0,0]=2 5596 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,1,0,0,0,0|0,0,0]=2 5597 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,1,0,0,0,0|0,0,0]=2 5598 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|0,0,0]=2 5599 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|0,0,0]=2 5600 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|0,0,0]=2 5601 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|0,0,0]=2 5602 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,1,0,0,0,0|0,0,0]=2 5603 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,1,0,0,0,0|0,0,0]=2 5604 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|0,0,0]=2 5605 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|0,0,0]=2 5606 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|0,0,0]=2 5607 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,1,0,0,0,0|1,0,0]=3 5608 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,1,0,0,0,0|1,0,0]=3 5609 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|0,0,0]=2 5610 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|0,0,0]=2 5611 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,1,0,0,0,0|1,0,0]=3 5612 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,1,0,0,0,0|1,0,0]=3 5613 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,1,0,0,0,0|1,0,1]=4 5614 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,1,0,0,0,0|1,0,1]=4 5615 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,1,0,0,0,0|0,0,0]=2 5616 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,1,0,0,0,0|1,0,0]=3 5617 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,1,0,0,0,0|1,0,0]=3 5618 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,1,0,0,0,0|1,0,0]=3 5619 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,1,0,0,0,0|1,0,0]=3 5620 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,1,0,0,0,0|1,0,0]=3 5621 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,1,0,0,0,0|1,0,0]=3 5622 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,1,0,0,0,0|1,0,0]=3 5623 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,1,0,0,0,0|1,0,1]=4 5624 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|1,0,1]=4 5625 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|1,0,1]=4 5626 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,1,0,0,0,0|1,0,0]=3 5627 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,1,0,0,0,0|0,0,0]=2 5628 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,1,0,0,0,0|0,0,0]=2 5629 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,1,0,0,0,0|0,0,0]=2 5630 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,1,0,0,0,0|1,0,0]=3 5631 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,1,0,0,0,0|1,0,0]=3 5632 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|1,0,0]=3 5633 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|1,0,0]=3 5634 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|1,0,0]=3 5635 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|1,0,0]=3 5636 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,1,0,0,0,0|1,0,1]=4 5637 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,1,0,0,0,0|1,0,1]=4 5638 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,1,0,0,0,0|1,0,1]=4 5639 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,1,0,0,0,0|1,0,1]=4 5640 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,1,0,0,0,0|0,0,0]=2 5641 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,1,0,0,0,0|0,0,0]=2 5642 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,1,0,0,0,0|1,0,0]=3 5643 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,1,0,0,0,0|1,0,0]=3 5644 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,1,0,0,0,0|1,0,0]=3 5645 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,1,0,0,0,0|1,0,0]=3 5646 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,1,0,0,0,0|1,0,0]=3 5647 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,1,0,0,0,0|1,0,0]=3 5648 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,1,0,0,0,0|1,0,0]=3 5649 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,1,0,0,0,0|1,0,0]=3 5650 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,1,0,0,0,0|1,0,1]=4 5651 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,1,0,0,0,0|1,0,1]=4 5652 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,1,0,0,0,0|0,0,0]=2 5653 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,1,0,0,0,0|0,0,0]=2 5654 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,1,0,0,0,0|1,0,0]=3 5655 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,1,0,0,0,0|1,0,0]=3 5656 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,1,0,0,0,0|1,0,0]=3 5657 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,1,0,0,0,0|1,0,0]=3 5658 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,1,0,0,0,0|1,0,0]=3 5659 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,1,0,0,0,0|1,0,0]=3 5660 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,1,0,0,0,0|1,0,0]=3 5661 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,1,0,0,0,0|1,0,0]=3 5662 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,1,0,0,0,0|1,0,0]=3 5663 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|1,0,0]=3 5664 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|1,0,0]=3 5665 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|1,0,0]=3 5666 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,1,0,0,0,0|1,0,1]=4 5667 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,1,0,0,0,0|1,0,0]=3 5668 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,1,0,0,0,0|0,0,0]=2 5669 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,1,0,0,0,0|0,0,0]=2 5670 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,1,0,0,0,0|1,0,0]=3 5671 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,1,0,0,0,0|1,0,0]=3 5672 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,1,0,0,0,0|1,0,0]=3 5673 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,1,0,0,0,0|1,0,0]=3 5674 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,1,0,0,0,0|1,0,0]=3 5675 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,1,0,0,0,0|1,0,0]=3 5676 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,1,0,0,0,0|1,0,0]=3 5677 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,1,0,0,0,0|1,0,0]=3 5678 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,1,0,0,0,0|1,0,0]=3 5679 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,1,0,0,0,0|1,0,0]=3 5680 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,1,0,0,0,0|1,0,0]=3 5681 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,1,0,0,0,0|1,0,0]=3 5682 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,1,0,0,0,0|1,0,0]=3 5683 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,1,0,0,0,0|1,0,0]=3 5684 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,1,0,0,0,0|1,0,0]=3 5685 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,1,0,0,0,0|1,0,0]=3 5686 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,1,0,0,0,0|2,0,0]=4 5687 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,1,0,0,0,0|1,0,0]=3 5688 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,1,0,0,0,0|1,0,0]=3 5689 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|1,0,0]=3 5690 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|1,0,0]=3 5691 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|1,0,0]=3 5692 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|1,0,0]=3 5693 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|1,0,0]=3 5694 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|1,0,0]=3 5695 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|1,0,0]=3 5696 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|1,0,0]=3 5697 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,1,0,0,0,0|1,0,0]=3 5698 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,1,0,0,0,0|1,0,0]=3 5699 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,1,0,0,0,0|1,0,0]=3 5700 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,1,0,0,0,0|1,0,0]=3 5701 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,1,0,0,0,0|2,0,0]=4 5702 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,1,0,0,0,0|2,0,0]=4 5703 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,1,0,0,0,0|1,0,1]=4 5704 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,1,0,0,0,0|1,0,1]=4 5705 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,1,0,0,0,0|0,0,0]=2 5706 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,1,0,0,0,0|1,0,0]=3 5707 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,1,0,0,0,0|1,0,0]=3 5708 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,1,0,0,0,0|1,0,0]=3 5709 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,1,0,0,0,0|1,0,0]=3 5710 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,1,0,0,0,0|1,0,0]=3 5711 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,1,0,0,0,0|1,0,0]=3 5712 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,1,0,0,0,0|1,0,0]=3 5713 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,1,0,0,0,0|1,0,0]=3 5714 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,1,0,0,0,0|1,0,0]=3 5715 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,1,0,0,0,0|1,0,0]=3 5716 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,1,0,0,0,0|1,0,0]=3 5717 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,1,0,0,0,0|1,0,0]=3 5718 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|1,0,0]=3 5719 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|1,0,0]=3 5720 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,1,0,0,0,0|1,0,0]=3 5721 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,1,0,0,0,0|1,0,0]=3 5722 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,1,0,0,0,0|1,0,0]=3 5723 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,0]=3 5724 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,1,0,0,0,0|1,0,0]=3 5725 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|1,0,0]=3 5726 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,1,0,0,0,0|1,0,0]=3 5727 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,1,0,0,0,0|1,0,0]=3 5728 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,1,0,0,0,0|1,0,0]=3 5729 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,1,0,0,0,0|1,0,0]=3 5730 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,1,0,0,0,0|1,0,0]=3 5731 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,1,0,0,0,0|1,0,0]=3 5732 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,1,0,0,0,0|1,0,0]=3 5733 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,1,0,0,0,0|1,0,0]=3 5734 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,1,0,0,0,0|1,0,0]=3 5735 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,1,0,0,0,0|1,0,0]=3 5736 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,0]=3 5737 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,1,0,0,0,0|1,0,0]=3 5738 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,1,0,0,0,0|1,0,0]=3 5739 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,1,0,0,0,0|1,0,0]=3 5740 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,1,0,0,0,0|1,0,0]=3 5741 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,1,0,0,0,0|1,0,0]=3 5742 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,1,0,0,0,0|1,0,0]=3 5743 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|1,0,0]=3 5744 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|1,0,0]=3 5745 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|1,0,0]=3 5746 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|1,0,0]=3 5747 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,1,0,0,0,0|1,0,0]=3 5748 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,1,0,0,0,0|1,0,0]=3 5749 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,1,0,0,0,0|1,0,0]=3 5750 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,1,0,0,0,0|2,0,0]=4 5751 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,1,0,0,0,0|1,0,0]=3 5752 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,1,0,0,0,0|1,0,0]=3 5753 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,1,0,0,0,0|1,0,0]=3 5754 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,1,0,0,0,0|1,0,0]=3 5755 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,1,0,0,0,0|1,0,0]=3 5756 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,1,0,0,0,0|1,0,0]=3 5757 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,1,0,0,0,0|2,0,0]=4 5758 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,1,0,0,0,0|2,0,0]=4 5759 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,1,0,0,0,0|1,0,0]=3 5760 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,1,0,0,0,0|1,0,0]=3 5761 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,1,0,0,0,0|1,0,0]=3 5762 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,1,0,0,0,0|1,0,0]=3 5763 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,1,0,0,0,0|1,0,0]=3 5764 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,1,0,0,0,0|2,0,0]=4 5765 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,1,0,0,0,0|2,0,0]=4 5766 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,1,0,0,0,0|1,0,1]=4 5767 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,1,0,0,0,0|1,0,1]=4 5768 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,1,0,0,0,0|1,0,1]=4 5769 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,1,0,0,0,0|1,0,1]=4 5770 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,1,0,0,0,0|1,0,0]=3 5771 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,1,0,0,0,0|1,0,0]=3 5772 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,1,0,0,0,0|1,0,0]=3 5773 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,1,0,0,0,0|1,0,0]=3 5774 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,1,0,0,0,0|1,0,0]=3 5775 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,1,0,0,0,0|1,0,0]=3 5776 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,1,0,0,0,0|1,0,0]=3 5777 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,1,0,0,0,0|1,0,0]=3 5778 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,1,0,0,0,0|1,0,0]=3 5779 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,1,0,0,0,0|1,0,0]=3 5780 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,1,0,0,0,0|1,0,0]=3 5781 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,1,0,0,0,0|2,0,0]=4 5782 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,1,0,0,0,0|2,0,0]=4 5783 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,1,0,0,0,0|1,0,0]=3 5784 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,1,0,0,0,0|1,0,0]=3 5785 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,1,0,0,0,0|1,0,1]=4 5786 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,1,0,0,0,0|1,0,1]=4 5787 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,1,0,0,0,0|1,0,0]=3 5788 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,1,0,0,0,0|1,0,0]=3 5789 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,1,0,0,0,0|1,0,0]=3 5790 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,0]=3 5791 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,1,0,0,0,0|1,0,0]=3 5792 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,1,0,0,0,0|1,0,0]=3 5793 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,1,0,0,0,0|1,0,0]=3 5794 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,1,0,0,0,0|1,0,0]=3 5795 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,1,0,0,0,0|2,0,0]=4 5796 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,1,0,0,0,0|2,0,0]=4 5797 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,1,0,0,0,0|2,0,0]=4 5798 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,1,0,0,0,0|2,0,0]=4 5799 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [1,1,0,0,0,0|2,0,0]=4 5800 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,1,0,0,0,0|1,0,0]=3 5801 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,1,0,0,0,0|1,0,0]=3 5802 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,1,0,0,0,0|1,0,0]=3 5803 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,1,0,0,0,0|1,0,0]=3 5804 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,1,0,0,0,0|1,0,0]=3 5805 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,1,0,0,0,0|1,0,0]=3 5806 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,1,0,0,0,0|1,0,0]=3 5807 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,0]=3 5808 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,1,0,0,0,0|1,0,0]=3 5809 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,1,0,0,0,0|1,0,0]=3 5810 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,1,0,0,0,0|1,0,0]=3 5811 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,1,0,0,0,0|1,0,0]=3 5812 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,1,0,0,0,0|1,0,0]=3 5813 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,1,0,0,0,0|2,0,0]=4 5814 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,1,0,0,0,0|1,0,0]=3 5815 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,1,0,0,0,0|1,0,0]=3 5816 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,1,0,0,0,0|1,0,0]=3 5817 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,1,0,0,0,0|2,0,0]=4 5818 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,1,0,0,0,0|2,0,0]=4 5819 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,1,0,0,0,0|1,0,0]=3 5820 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,1,0,0,0,0|1,0,0]=3 5821 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,1,0,0,0,0|1,0,0]=3 5822 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,1,0,0,0,0|1,0,0]=3 5823 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,1,0,0,0,0|2,0,0]=4 5824 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,1,0,0,0,0|2,0,0]=4 5825 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,1,0,0,0,0|2,0,0]=4 5826 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,1,0,0,0,0|2,0,0]=4 5827 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,1,0,0,0,0|2,0,0]=4 5828 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,1,0,0,0,0|2,0,0]=4 5829 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,1,0,0,0,0|2,0,0]=4 5830 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,1,0,0,0,0|2,0,0]=4 5831 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,1,0,0,0,0|2,0,0]=4 5832 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,1,0,0,0,0|2,0,0]=4 5833 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,1,0,0,0,0|2,0,0]=4 5834 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,1,0,0,0,0|2,0,0]=4 5835 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,1,0,0,0,0|2,0,0]=4 5836 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,1,0,0,0,0|2,0,0]=4 5837 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,1,0,0,0,0|2,0,0]=4 5838 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,1,0,0,0,0|2,0,0]=4 5839 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,1,0,0,0,0|2,0,0]=4 5840 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,1,0,0,0,0|2,0,0]=4 5841 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,1,0,0,0,0|2,0,0]=4 5842 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,1,0,0,0,0|2,0,0]=4 5843 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,1,0,0,0,0|2,0,0]=4 5844 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,1,0,0,0,0|2,0,0]=4 5845 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,1,0,0,0,0|2,0,0]=4 5846 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,1,0,0,0,0|2,0,0]=4 5847 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,1,0,0,0,0|2,0,0]=4 5848 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,1,0,0,0,0|2,0,0]=4 5849 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,1,0,0,0,0|2,0,0]=4 5850 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,1,0,0,0,0|2,0,0]=4 5851 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,1,0,0,0,0|2,0,0]=4 5852 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,1,0,0,0,0|2,0,0]=4 5853 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,1,0,0,0,0|2,0,0]=4 5854 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,1,0,0,0,0|2,0,0]=4 5855 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,1,0,0,0,0|2,0,0]=4 5856 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,1,0,0,0,0|2,0,0]=4 5857 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,1,0,0,0,0|2,0,0]=4 5858 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,1,0,0,0,0|2,0,0]=4 5859 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,1,0,0,0,0|2,0,0]=4 5860 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,1,0,0,0,0|2,0,0]=4 5861 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,1,0,0,0,0|2,0,0]=4 5862 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,1,0,0,0,0|2,0,0]=4 5863 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,1,0,0,0,0|2,0,0]=4 5864 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,1,0,0,0,0|2,0,0]=4 5865 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,1,0,0,0,0|2,0,0]=4 5866 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,1,0,0,0,0|2,0,0]=4 5867 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,1,0,0,0,0|2,0,0]=4 5868 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [1,1,0,0,0,0|2,0,0]=4 5869 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,1,0,0,0,0|1,0,1]=4 5870 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,1,0,0,0,0|1,0,1]=4 5871 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,1,0,0,0,0|1,0,1]=4 5872 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,1,0,0,0,0|1,0,1]=4 5873 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,1,0,0,0,0|1,0,0]=3 5874 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,1,0,0,0,0|1,0,0]=3 5875 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,1,0,0,0,0|1,0,0]=3 5876 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,1,0,0,0,0|1,0,0]=3 5877 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,1,0,0,0,0|1,0,0]=3 5878 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,1,0,0,0,0|1,0,0]=3 5879 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,1,0,0,0,0|2,0,0]=4 5880 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,1,0,0,0,0|2,0,0]=4 5881 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,1,0,0,0,0|2,0,0]=4 5882 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,1,0,0,0,0|2,0,0]=4 5883 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,1,0,0,0,0|2,0,0]=4 5884 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,1,0,0,0,0|2,0,0]=4 5885 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,1,0,0,0,0|2,0,0]=4 5886 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [1,1,0,0,0,0|2,0,0]=4 5887 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,1,0,0,0,0|2,0,0]=4 5888 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,1,0,0,0,0|2,0,0]=4 5889 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,1,0,0,0,0|2,0,0]=4 5890 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,1,0,0,0,0|2,0,0]=4 5891 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,1,0,0,0,0|2,0,0]=4 5892 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,1,0,0,0,0|2,0,0]=4 5893 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,1,0,0,0,0|2,0,0]=4 5894 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,1,0,0,0,0|2,0,0]=4 5895 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,1,0,0,0,0|2,0,0]=4 5896 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,1,0,0,0,0|2,0,0]=4 5897 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,1,0,0,0,0|2,0,0]=4 5898 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,1,0,0,0,0|2,0,0]=4 5899 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,1,0,0,0,0|2,0,0]=4 5900 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,1,0,0,0,0|2,0,0]=4 5901 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [1,1,0,0,0,0|2,0,0]=4 5902 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [1,1,0,0,0,0|2,0,0]=4 5903 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,1,0,0,0,0|2,0,0]=4 5904 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,1,0,0,0,0|2,0,0]=4 5905 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,1,0,0,0,0|2,0,0]=4 5906 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,1,0,0,0,0|2,0,0]=4 5907 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 5908 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 5909 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,1,0,0,0,0|1,0,1]=4 5910 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,1,0,0,0,0|1,0,1]=4 5911 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,1,0,0,0,0|1,0,0]=3 5912 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,1,0,0,0,0|1,0,0]=3 5913 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,1,0,0,0,0|1,0,0]=3 5914 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,1,0,0,0,0|1,0,0]=3 5915 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,1,0,0,0,0|1,0,0]=3 5916 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,0]=3 5917 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,1,0,0,0,0|1,0,0]=3 5918 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,1,0,0,0,0|1,0,0]=3 5919 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,1,0,0,0,0|1,0,0]=3 5920 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,1,0,0,0,0|1,0,0]=3 5921 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,1,0,0,0,0|1,0,0]=3 5922 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,1,0,0,0,0|1,0,0]=3 5923 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,1,0,0,0,0|2,0,0]=4 5924 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,1,0,0,0,0|2,0,0]=4 5925 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,1,0,0,0,0|2,0,0]=4 5926 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [1,1,0,0,0,0|2,0,0]=4 5927 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [1,1,0,0,0,0|2,0,0]=4 5928 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [1,1,0,0,0,0|2,0,0]=4 5929 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [1,1,0,0,0,0|2,0,0]=4 5930 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [1,1,0,0,0,0|2,0,0]=4 5931 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [1,1,0,0,0,0|2,0,0]=4 5932 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [1,1,0,0,0,0|2,0,0]=4 5933 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,1,0,0,0,0|1,0,0]=3 5934 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,1,0,0,0,0|1,0,0]=3 5935 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,1,0,0,0,0|1,0,0]=3 5936 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,1,0,0,0,0|1,0,0]=3 5937 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,1,0,0,0,0|1,0,0]=3 5938 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,1,0,0,0,0|1,0,0]=3 5939 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,1,0,0,0,0|1,0,0]=3 5940 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,0]=3 5941 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,1,0,0,0,0|1,0,0]=3 5942 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,1,0,0,0,0|1,0,0]=3 5943 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,1,0,0,0,0|1,0,0]=3 5944 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,1,0,0,0,0|2,0,0]=4 5945 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,1,0,0,0,0|2,0,0]=4 5946 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,1,0,0,0,0|2,0,0]=4 5947 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,1,0,0,0,0|2,0,0]=4 5948 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,1,0,0,0,0|2,0,0]=4 5949 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,1,0,0,0,0|2,0,0]=4 5950 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,1,0,0,0,0|2,0,0]=4 5951 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,1,0,0,0,0|2,0,0]=4 5952 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [1,1,0,0,0,0|2,0,0]=4 5953 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,1,0,0,0,0|2,0,0]=4 5954 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,1,0,0,0,0|2,0,0]=4 5955 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,1,0,0,0,0|2,0,0]=4 5956 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,1,0,0,0,0|2,0,0]=4 5957 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,1,0,0,0,0|2,0,0]=4 5958 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,1,0,0,0,0|2,0,0]=4 5959 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,1,0,0,0,0|2,0,0]=4 5960 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,1,0,0,0,0|2,0,0]=4 5961 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,1,0,0,0,0|2,0,0]=4 5962 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [1,1,0,0,0,0|2,0,0]=4 5963 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [1,1,0,0,0,0|2,0,0]=4 5964 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [1,1,0,0,0,0|2,0,0]=4 5965 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [1,1,0,0,0,0|2,0,0]=4 5966 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [1,1,0,0,0,0|2,0,0]=4 5967 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [1,1,0,0,0,0|2,0,0]=4 5968 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [1,1,0,0,0,0|2,0,0]=4 5969 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,1,0,0,0,0|2,0,0]=4 5970 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [1,1,0,0,0,0|2,0,0]=4 5971 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [1,1,0,0,0,0|2,0,0]=4 5972 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [1,1,0,0,0,0|2,0,0]=4 5973 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [1,1,0,0,0,0|2,0,0]=4 5974 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [1,1,0,0,0,0|2,0,0]=4 5975 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [1,1,0,0,0,0|2,0,0]=4 5976 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [1,1,0,0,0,0|2,0,0]=4 5977 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,1,0,0,0,0|2,0,0]=4 5978 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,1,0,0,0,0|2,0,0]=4 5979 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [1,1,0,0,0,0|2,0,0]=4 5980 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [1,1,0,0,0,0|2,0,0]=4 5981 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [1,1,0,0,0,0|2,0,0]=4 5982 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [1,1,0,0,0,0|2,0,0]=4 5983 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [1,1,0,0,0,0|2,0,0]=4 5984 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [1,1,0,0,0,0|2,0,0]=4 5985 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [1,1,0,0,0,0|2,0,0]=4 5986 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [1,1,0,0,0,0|2,0,0]=4 5987 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,1,0,0,0,0|2,0,0]=4 5988 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,1,0,0,0,0|2,0,0]=4 5989 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,1,0,0,0,0|2,0,0]=4 5990 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,1,0,0,0,0|2,0,0]=4 5991 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,1,0,0,0,0|2,0,0]=4 5992 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,1,0,0,0,0|2,0,0]=4 5993 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,1,0,0,0,0|2,0,0]=4 5994 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [1,1,0,0,0,0|2,0,0]=4 5995 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [1,1,0,0,0,0|2,0,0]=4 5996 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,1,0,0,0,0|2,0,0]=4 5997 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,1,0,0,0,0|2,0,0]=4 5998 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [1,1,0,0,0,0|2,0,0]=4 5999 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [1,1,0,0,0,0|2,0,0]=4 6000 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [1,1,0,0,0,0|2,0,0]=4 6001 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,1,0,0,0,0|2,0,0]=4 6002 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,1,0,0,0,0|2,0,0]=4 6003 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [1,1,0,0,0,0|2,0,0]=4 6004 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [1,1,0,0,0,0|2,0,0]=4 6005 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,1,0,0,0,0|2,0,0]=4 6006 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,1,0,0,0,0|2,0,0]=4 6007 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,1,0,0,0,0|1,0,1]=4 6008 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,1,0,0,0,0|1,0,1]=4 6009 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,1,0,0,0,0|1,0,1]=4 6010 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,1,0,0,0,0|1,0,1]=4 6011 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,1,0,0,0,0|1,0,0]=3 6012 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,1,0,0,0,0|1,0,0]=3 6013 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|1,0,0]=3 6014 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|1,0,0]=3 6015 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,1,0,0,0,0|2,0,0]=4 6016 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,1,0,0,0,0|2,0,0]=4 6017 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,1,0,0,0,0|2,0,0]=4 6018 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,1,0,0,0,0|2,0,0]=4 6019 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [1,1,0,0,0,0|2,0,0]=4 6020 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,1,0,0,0,0|2,0,0]=4 6021 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,1,0,0,0,0|2,0,0]=4 6022 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,1,0,0,0,0|2,0,0]=4 6023 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,1,0,0,0,0|2,0,0]=4 6024 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,1,0,0,0,0|2,0,0]=4 6025 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [1,1,0,0,0,0|2,0,0]=4 6026 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [1,1,0,0,0,0|2,0,0]=4 6027 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [1,1,0,0,0,0|2,0,0]=4 6028 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,1,0,0,0,0|2,0,0]=4 6029 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [1,1,0,0,0,0|2,0,0]=4 6030 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [1,1,0,0,0,0|2,0,0]=4 6031 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [1,1,0,0,0,0|2,0,0]=4 6032 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [1,1,0,0,0,0|2,0,0]=4 6033 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [1,1,0,0,0,0|2,0,0]=4 6034 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [1,1,0,0,0,0|2,0,0]=4 6035 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,1,0,0,0,0|2,0,0]=4 6036 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,1,0,0,0,0|2,0,0]=4 6037 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,1,0,0,0,0|2,0,0]=4 6038 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [1,1,0,0,0,0|2,0,0]=4 6039 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [1,1,0,0,0,0|2,0,0]=4 6040 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [1,1,0,0,0,0|2,0,0]=4 6041 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [1,1,0,0,0,0|2,0,0]=4 6042 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,1,0,0,0,0|2,0,0]=4 6043 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,1,0,0,0,0|2,0,0]=4 6044 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [1,1,0,0,0,0|2,0,0]=4 6045 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 6046 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 6047 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,1,0,0,0,0|2,0,0]=4 6048 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,1,0,0,0,0|2,0,0]=4 6049 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,1,0,0,0,0|2,0,0]=4 6050 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,1,0,0,0,0|2,0,0]=4 6051 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 6052 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [1,1,0,0,0,0|2,0,0]=4 6053 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [1,1,0,0,0,0|2,0,0]=4 6054 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,1,0,0,0,0|2,0,0]=4 6055 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,1,0,0,0,0|2,0,0]=4 6056 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,1,0,0,0,0|2,0,0]=4 6057 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,1,0,0,0,0|2,0,0]=4 6058 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [1,1,0,0,0,0|2,0,0]=4 6059 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,1,0,0,0,0|2,0,0]=4 6060 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,1,0,0,0,0|2,0,0]=4 6061 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,1,0,0,0,0|2,0,0]=4 6062 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [1,1,0,0,0,0|2,0,0]=4 6063 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [1,1,0,0,0,0|2,0,0]=4 6064 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [1,1,0,0,0,0|2,0,0]=4 6065 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [1,1,0,0,0,0|2,0,0]=4 6066 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [1,1,0,0,0,0|2,0,0]=4 6067 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [1,1,0,0,0,0|2,0,0]=4 6068 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [1,1,0,0,0,0|2,0,0]=4 6069 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [1,1,0,0,0,0|2,0,0]=4 6070 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,1,0,0,0,0|2,0,0]=4 6071 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,1,0,0,0,0|2,0,0]=4 6072 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,1,0,0,0,0|2,0,0]=4 6073 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,1,0,0,0,0|2,0,0]=4 6074 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,1,0,0,0,0|2,0,0]=4 6075 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,1,0,0,0,0|2,0,0]=4 6076 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 6077 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 6078 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,1,0,0,0,0|2,0,0]=4 6079 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,1,0,0,0,0|2,0,0]=4 6080 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,1,0,0,0,0|2,0,0]=4 6081 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,1,0,0,0,0|2,0,0]=4 6082 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|2,0,0]=4 6083 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [1,1,0,0,0,0|2,0,0]=4 6084 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,1,0,0,0,0|2,0,0]=4 6085 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,1,0,0,0,0|2,0,0]=4 6086 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,1,0,0,0,0|2,0,0]=4 6087 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,1,0,0,0,0|2,0,0]=4 6088 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 6089 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,1,0,0,0,0|2,0,0]=4 6090 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,1,0,0,0,0|2,0,0]=4 6091 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,1,0,0,0,0|2,0,0]=4 6092 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,1,0,0,0,0|2,0,0]=4 6093 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,1,0,0,0,0|2,0,0]=4 6094 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,1,0,0,0,0|2,0,0]=4 6095 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|2,0,0]=4 6096 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,1,0,0,0,0|2,0,0]=4 6097 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,1,0,0,0,0|2,0,0]=4 6098 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,1,0,0,0,0|2,0,0]=4 6099 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,1,0,0,0,0|2,0,0]=4 6100 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,1,0,0,0,0|2,0,0]=4 6101 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,1,0,0,0,0|2,0,0]=4 6102 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,1,0,0,0,0|2,0,0]=4 6103 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,1,0,0,0,0|2,0,0]=4 6104 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,1,0,0,0,0|2,0,0]=4 6105 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,1,0,0,0,0|2,0,0]=4 6106 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,1,0,0,0,0|2,0,0]=4 6107 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,1,0,0,0,0|2,0,0]=4 6108 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,1,0,0,0,0|2,0,0]=4 6109 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,1,0,0,0,0|2,0,0]=4 6110 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,1,0,0,0,0|2,0,0]=4 6111 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,1,0,0,0,0|2,0,0]=4 6112 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,1,0,0,0,0|2,0,0]=4 6113 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,1,0,0,0,0|2,0,0]=4 6114 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,1,0,0,0,0|2,0,0]=4 6115 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,1,0,0,0,0|2,0,0]=4 6116 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,1,0,0,0,0|2,0,0]=4 6117 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,1,0,0,0,0|2,0,0]=4 6118 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,1,0,0,0,0|2,0,0]=4 6119 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,1,0,0,0,0|2,0,0]=4 6120 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,1,0,0,0,0|1,0,0]=3 6121 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,0]=3 6122 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,1,0,0,0,0|1,0,0]=3 6123 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,1,0,0,0,0|1,0,0]=3 6124 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,1,0,0,0,0|1,0,0]=3 6125 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,1,0,0,0,0|1,0,0]=3 6126 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,1,0,0,0,0|1,0,0]=3 6127 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,1,0,0,0,0|1,0,0]=3 6128 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,0]=3 6129 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,1,0,0,0,0|1,0,1]=4 6130 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,1,0,0,0,0|1,0,1]=4 6131 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,1,0,0,0,0|1,0,1]=4 6132 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,1,0,0,0,0|1,0,1]=4 6133 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,1,0,0,0,0|1,0,0]=3 6134 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,1,0,0,0,0|1,0,0]=3 6135 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|1,0,0]=3 6136 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|1,0,0]=3 6137 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|1,0,1]=4 6138 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|1,0,1]=4 6139 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|1,0,1]=4 6140 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|1,0,1]=4 6141 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|1,0,1]=4 6142 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|1,0,1]=4 6143 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 6144 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|1,0,1]=4 6145 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 6146 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|1,0,1]=4 6147 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|1,0,1]=4 6148 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,1]=4 6149 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,1]=4 6150 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,1]=4 6151 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,1]=4 6152 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,1]=4 6153 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,1,0,0,0,0|2,0,0]=4 6154 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,1,0,0,0,0|2,0,0]=4 6155 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [1,1,0,0,0,0|2,0,0]=4 6156 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,1,0,0,0,0|2,0,0]=4 6157 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|1,0,0]=3 6158 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|1,0,0]=3 6159 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,0]=3 6160 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,0]=3 6161 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,1,0,0,0,0|2,0,0]=4 6162 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,1,0,0,0,0|2,0,0]=4 6163 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,1,0,0,0,0|2,0,0]=4 6164 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,1,0,0,0,0|2,0,0]=4 6165 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,1,0,0,0,0|2,0,0]=4 6166 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,1,0,0,0,0|2,0,0]=4 6167 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,1,0,0,0,0|2,0,0]=4 6168 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|2,0,0]=4 6169 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|2,0,0]=4 6170 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|2,0,0]=4 6171 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,1,0,0,0,0|2,0,0]=4 6172 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,1,0,0,0,0|2,0,0]=4 6173 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,1,0,0,0,0|2,0,0]=4 6174 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,1,0,0,0,0|2,0,0]=4 6175 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|2,0,0]=4 6176 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|2,0,0]=4 6177 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,1,0,0,0,0|2,0,0]=4 6178 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,1,0,0,0,0|2,0,0]=4 6179 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,1,0,0,0,0|2,0,0]=4 6180 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,1,0,0,0,0|2,0,0]=4 6181 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [1,1,0,0,0,0|2,0,0]=4 6182 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [1,1,0,0,0,0|2,0,0]=4 6183 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [1,1,0,0,0,0|2,0,0]=4 6184 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [1,1,0,0,0,0|2,0,0]=4 6185 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [1,1,0,0,0,0|2,0,0]=4 6186 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,1,0,0,0,0|2,0,0]=4 6187 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,1,0,0,0,0|2,0,0]=4 6188 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,1,0,0,0,0|2,0,0]=4 6189 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,1,0,0,0,0|2,0,0]=4 6190 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,1,0,0,0,0|2,0,0]=4 6191 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,1,0,0,0,0|2,0,0]=4 6192 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,1,0,0,0,0|2,0,0]=4 6193 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,1,0,0,0,0|2,0,0]=4 6194 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,1,0,0,0,0|2,0,0]=4 6195 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,1,0,0,0,0|2,0,0]=4 6196 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,1,0,0,0,0|2,0,0]=4 6197 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,1,0,0,0,0|2,0,0]=4 6198 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [1,1,0,0,0,0|2,0,0]=4 6199 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [1,1,0,0,0,0|2,0,0]=4 6200 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,1,0,0,0,0|2,0,0]=4 6201 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,1,0,0,0,0|2,0,0]=4 6202 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,1,0,0,0,0|2,0,0]=4 6203 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,1,0,0,0,0|2,0,0]=4 6204 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [1,1,0,0,0,0|2,0,0]=4 6205 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [1,1,0,0,0,0|2,0,0]=4 6206 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [1,1,0,0,0,0|2,0,0]=4 6207 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [1,1,0,0,0,0|2,0,0]=4 6208 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [1,1,0,0,0,0|2,0,0]=4 6209 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [1,1,0,0,0,0|2,0,0]=4 6210 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,1,0,0,0,0|2,0,0]=4 6211 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [1,1,0,0,0,0|2,0,0]=4 6212 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [1,1,0,0,0,0|2,0,0]=4 6213 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [1,1,0,0,0,0|2,0,0]=4 6214 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [1,1,0,0,0,0|2,0,0]=4 6215 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [1,1,0,0,0,0|2,0,0]=4 6216 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [1,1,0,0,0,0|2,0,0]=4 6217 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [1,1,0,0,0,0|2,0,0]=4 6218 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [1,1,0,0,0,0|2,0,0]=4 6219 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,1,0,0,0,0|2,0,0]=4 6220 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,1,0,0,0,0|2,0,0]=4 6221 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,1,0,0,0,0|2,0,0]=4 6222 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [1,1,0,0,0,0|2,0,0]=4 6223 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [1,1,0,0,0,0|2,0,0]=4 6224 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [1,1,0,0,0,0|2,0,0]=4 6225 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [1,1,0,0,0,0|2,0,0]=4 6226 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [1,1,0,0,0,0|2,0,0]=4 6227 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,1,0,0,0,0|2,0,0]=4 6228 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [1,1,0,0,0,0|2,0,0]=4 6229 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [1,1,0,0,0,0|2,0,0]=4 6230 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [1,1,0,0,0,0|2,0,0]=4 6231 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [1,1,0,0,0,0|2,0,0]=4 6232 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,1,0,0,0,0|2,0,0]=4 6233 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,1,0,0,0,0|2,0,0]=4 6234 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,1,0,0,0,0|2,0,0]=4 6235 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,1,0,0,0,0|2,0,0]=4 6236 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,1,0,0,0,0|2,0,0]=4 6237 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [1,1,0,0,0,0|2,0,0]=4 6238 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [1,1,0,0,0,0|2,0,0]=4 6239 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,1,0,0,0,0|2,0,0]=4 6240 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,1,0,0,0,0|2,0,0]=4 6241 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [1,1,0,0,0,0|2,0,0]=4 6242 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [1,1,0,0,0,0|2,0,0]=4 6243 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [1,1,0,0,0,0|2,0,0]=4 6244 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [1,1,0,0,0,0|2,0,0]=4 6245 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,1,0,0,0,0|2,0,0]=4 6246 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|2,0,0]=4 6247 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [1,1,0,0,0,0|2,0,0]=4 6248 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [1,1,0,0,0,0|2,0,0]=4 6249 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [1,1,0,0,0,0|2,0,0]=4 6250 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,1,0,0,0,0|2,0,0]=4 6251 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [1,1,0,0,0,0|2,0,0]=4 6252 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [1,1,0,0,0,0|2,0,0]=4 6253 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,1,0,0,0,0|2,0,0]=4 6254 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,1,0,0,0,0|2,0,0]=4 6255 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|0,0,1]=3 6256 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|0,0,1]=3 6257 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|0,0,1]=3 6258 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|1,0,0]=3 6259 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|1,0,0]=3 6260 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|1,0,0]=3 6261 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|1,0,0]=3 6262 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|1,0,0]=3 6263 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|1,0,0]=3 6264 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 6265 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 6266 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 6267 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,1]=4 6268 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|1,0,0]=3 6269 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|1,0,0]=3 6270 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|1,0,0]=3 6271 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|1,0,0]=3 6272 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|1,0,0]=3 6273 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|1,0,0]=3 6274 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|1,0,0]=3 6275 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|1,0,0]=3 6276 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|1,0,0]=3 6277 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|1,0,0]=3 6278 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|1,0,0]=3 6279 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|1,0,0]=3 6280 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|1,0,0]=3 6281 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,0]=3 6282 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,0]=3 6283 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,0]=3 6284 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,0]=3 6285 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [1,1,0,0,0,0|2,0,0]=4 6286 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [1,1,0,0,0,0|2,0,0]=4 6287 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [1,1,0,0,0,0|2,0,0]=4 6288 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,0]=3 6289 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,0]=3 6290 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,1]=4 6291 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,1]=4 6292 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,1]=4 6293 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,1]=4 6294 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,1,0,0,0,0|1,0,0]=3 6295 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|1,0,0]=3 6296 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|1,0,0]=3 6297 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|1,0,0]=3 6298 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,1,0,0,0,0|1,0,0]=3 6299 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,0]=3 6300 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,0]=3 6301 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [1,1,0,0,0,0|2,0,0]=4 6302 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [1,1,0,0,0,0|2,0,0]=4 6303 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [1,1,0,0,0,0|2,0,0]=4 6304 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,1,0,0,0,0|2,0,0]=4 6305 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,1,0,0,0,0|2,0,0]=4 6306 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,1,0,0,0,0|1,0,0]=3 6307 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,1,0,0,0,0|1,0,0]=3 6308 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,0]=3 6309 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,0]=3 6310 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,1]=4 6311 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,1]=4 6312 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|1,0,0]=3 6313 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|1,0,0]=3 6314 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,0]=3 6315 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,0]=3 6316 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [1,1,0,0,0,0|2,0,0]=4 6317 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [1,1,0,0,0,0|2,0,0]=4 6318 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,0]=3 6319 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,0]=3 6320 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|1,0,0]=3 6321 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,0]=3 6322 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,1]=4 6323 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 6324 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 6325 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,1,0,0,0,0|1,0,0]=3 6326 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|1,0,0]=3 6327 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|1,0,0]=3 6328 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|1,0,0]=3 6329 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,0]=3 6330 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [1,1,0,0,0,0|2,0,0]=4 6331 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,1,0,0,0,0|2,0,0]=4 6332 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,1,0,0,0,0|2,0,0]=4 6333 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,0]=3 6334 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,1,0,0,0,0|2,0,0]=4 6335 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,1]=4 6336 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,1]=4 6337 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|1,0,0]=3 6338 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|1,0,0]=3 6339 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,0,0]=3 6340 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,0,0]=3 6341 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [1,1,0,0,0,0|2,0,0]=4 6342 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,1,0,0,0,0|2,0,0]=4 6343 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,1,0,0,0,0|2,0,0]=4 6344 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|1,0,0]=3 6345 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|1,0,0]=3 6346 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|1,0,0]=3 6347 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,0]=3 6348 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|2,0,0]=4 6349 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,1,0,0,0,0|2,0,0]=4 6350 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,1,0,0,0,0|2,0,0]=4 6351 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,1,0,0,0,0|2,0,0]=4 6352 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,1,0,0,0,0|2,0,0]=4 6353 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,1,0,0,0,0|2,0,0]=4 6354 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,1,0,0,0,0|2,0,0]=4 6355 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,1]=4 6356 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 6357 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,1]=4 6358 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 6359 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|1,0,0]=3 6360 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|1,0,0]=3 6361 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|1,0,0]=3 6362 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,0]=3 6363 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,1,0,0,0,0|2,0,0]=4 6364 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,1,0,0,0,0|2,0,0]=4 6365 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,1,0,0,0,0|2,0,0]=4 6366 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,1,0,0,0,0|2,0,0]=4 6367 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,1,0,0,0,0|2,0,0]=4 6368 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,1,0,0,0,0|2,0,0]=4 6369 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,1,0,0,0,0|2,0,0]=4 6370 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,1,0,0,0,0|2,0,0]=4 6371 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,1,0,0,0,0|2,0,0]=4 6372 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,1,0,0,0,0|2,0,0]=4 6373 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,1,0,0,0,0|2,0,0]=4 6374 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,1,0,0,0,0|2,0,0]=4 6375 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,1,0,0,0,0|2,0,0]=4 6376 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,1,0,0,0,0|2,0,0]=4 6377 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,1,0,0,0,0|2,0,0]=4 6378 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,1,0,0,0,0|2,0,0]=4 6379 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,1,0,0,0,0|2,0,0]=4 6380 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,1,0,0,0,0|2,0,0]=4 6381 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,1,0,0,0,0|2,0,0]=4 6382 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,1,0,0,0,0|2,0,0]=4 6383 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,1,0,0,0,0|2,0,0]=4 6384 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,1,0,0,0,0|2,0,0]=4 6385 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,1,0,0,0,0|2,0,0]=4 6386 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,1,0,0,0,0|2,0,0]=4 6387 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,1]=4 6388 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,1]=4 6389 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|1,0,0]=3 6390 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|1,0,0]=3 6391 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|1,0,0]=3 6392 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|1,0,0]=3 6393 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [1,1,0,0,0,0|2,0,0]=4 6394 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,1,0,0,0,0|2,0,0]=4 6395 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,1,0,0,0,0|2,0,0]=4 6396 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,1,0,0,0,0|2,0,0]=4 6397 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,1,0,0,0,0|2,0,0]=4 6398 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,1,0,0,0,0|2,0,0]=4 6399 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,1,0,0,0,0|2,0,0]=4 6400 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,1,0,0,0,0|2,0,0]=4 6401 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,1,0,0,0,0|2,0,0]=4 6402 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,1,0,0,0,0|2,0,0]=4 6403 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,1,0,0,0,0|2,0,0]=4 6404 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,1,0,0,0,0|2,0,0]=4 6405 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,1,0,0,0,0|2,0,0]=4 6406 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [1,1,0,0,0,0|2,0,0]=4 6407 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [1,1,0,0,0,0|2,0,0]=4 6408 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,1,0,0,0,0|2,0,0]=4 6409 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,1,0,0,0,0|2,0,0]=4 6410 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,1,0,0,0,0|2,0,0]=4 6411 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,1,0,0,0,0|2,0,0]=4 6412 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,1,0,0,0,0|2,0,0]=4 6413 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,1,0,0,0,0|2,0,0]=4 6414 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,1,0,0,0,0|2,0,0]=4 6415 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,1]=4 6416 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,1]=4 6417 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,0]=3 6418 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,0]=3 6419 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,0]=3 6420 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,1,0,0,0,0|2,0,0]=4 6421 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,1,0,0,0,0|2,0,0]=4 6422 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,1,0,0,0,0|2,0,0]=4 6423 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,1]=4 6424 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,1]=4 6425 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|1,0,0]=3 6426 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|1,0,0]=3 6427 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|1,0,0]=3 6428 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,1,0,0,0,0|2,0,0]=4 6429 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,1,0,0,0,0|2,0,0]=4 6430 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,1,0,0,0,0|2,0,0]=4 6431 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,1,0,0,0,0|2,0,0]=4 6432 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,1,0,0,0,0|2,0,0]=4 6433 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,1,0,0,0,0|2,0,0]=4 6434 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|2,0,0]=4 6435 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|2,0,0]=4 6436 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,1,0,0,0,0|2,0,0]=4 6437 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,1,0,0,0,0|2,0,0]=4 6438 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,1,0,0,0,0|2,0,0]=4 6439 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,1,0,0,0,0|2,0,0]=4 6440 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,1,0,0,0,0|2,0,0]=4 6441 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,1,0,0,0,0|2,0,0]=4 6442 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,1,0,0,0,0|2,0,0]=4 6443 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,1,0,0,0,0|2,0,0]=4 6444 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,1,0,0,0,0|2,0,0]=4 6445 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,1,0,0,0,0|2,0,0]=4 6446 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,1,0,0,0,0|2,0,0]=4 6447 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [1,1,0,0,0,0|2,0,0]=4 6448 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,1,0,0,0,0|2,0,0]=4 6449 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,1,0,0,0,0|2,0,0]=4 6450 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,1,0,0,0,0|2,0,0]=4 6451 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,1,0,0,0,0|2,0,0]=4 6452 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [1,1,0,0,0,0|2,0,0]=4 6453 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,1,0,0,0,0|2,0,0]=4 6454 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [1,1,0,0,0,0|2,0,0]=4 6455 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [1,1,0,0,0,0|2,0,0]=4 6456 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,1,0,0,0,0|2,0,0]=4 6457 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,1,0,0,0,0|2,0,0]=4 6458 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,1,0,0,0,0|2,0,0]=4 6459 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,1,0,0,0,0|2,0,0]=4 6460 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,1,0,0,0,0|2,0,0]=4 6461 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,1,0,0,0,0|2,0,0]=4 6462 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,1,0,0,0,0|2,0,0]=4 6463 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,1,0,0,0,0|2,0,0]=4 6464 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,1,0,0,0,0|2,0,0]=4 6465 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [1,1,0,0,0,0|2,0,0]=4 6466 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,1,0,0,0,0|2,0,0]=4 6467 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,1,0,0,0,0|2,0,0]=4 6468 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [1,1,0,0,0,0|2,0,0]=4 6469 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [1,1,0,0,0,0|2,0,0]=4 6470 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,1]=4 6471 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,1]=4 6472 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,0]=3 6473 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,0]=3 6474 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,1,0,0,0,0|2,0,0]=4 6475 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,1,0,0,0,0|2,0,0]=4 6476 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,1,0,0,0,0|2,0,0]=4 6477 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,1,0,0,0,0|2,0,0]=4 6478 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [1,1,0,0,0,0|2,0,0]=4 6479 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [1,1,0,0,0,0|2,0,0]=4 6480 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [1,1,0,0,0,0|2,0,0]=4 6481 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [1,1,0,0,0,0|2,0,0]=4 6482 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,1,0,0,0,0|2,0,0]=4 6483 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,1,0,0,0,0|2,0,0]=4 6484 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,1,0,0,0,0|2,0,0]=4 6485 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,1,0,0,0,0|2,0,0]=4 6486 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [1,1,0,0,0,0|2,0,0]=4 6487 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,1,0,0,0,0|2,0,0]=4 6488 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,1,0,0,0,0|2,0,0]=4 6489 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,1,0,0,0,0|2,0,0]=4 6490 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [1,1,0,0,0,0|2,0,0]=4 6491 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [1,1,0,0,0,0|2,0,0]=4 6492 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [1,1,0,0,0,0|2,0,0]=4 6493 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [1,1,0,0,0,0|2,0,0]=4 6494 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [1,1,0,0,0,0|2,0,0]=4 6495 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [1,1,0,0,0,0|2,0,0]=4 6496 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [1,1,0,0,0,0|2,0,0]=4 6497 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [1,1,0,0,0,0|2,0,0]=4 6498 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [1,1,0,0,0,0|2,0,0]=4 6499 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [1,1,0,0,0,0|2,0,0]=4 6500 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [1,1,0,0,0,0|2,0,0]=4 6501 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [1,1,0,0,0,0|2,0,0]=4 6502 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [1,1,0,0,0,0|2,0,0]=4 6503 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [1,1,0,0,0,0|2,0,0]=4 6504 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [1,1,0,0,0,0|2,0,0]=4 6505 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,1,0,0,0,0|2,0,0]=4 6506 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [1,1,0,0,0,0|2,0,0]=4 6507 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [1,1,0,0,0,0|2,0,0]=4 6508 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [1,1,0,0,0,0|2,0,0]=4 6509 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [1,1,0,0,0,0|2,0,0]=4 6510 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [1,1,0,0,0,0|2,0,0]=4 6511 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [1,1,0,0,0,0|2,0,0]=4 6512 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,1,0,0,0,0|2,0,0]=4 6513 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,1,0,0,0,0|2,0,0]=4 6514 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|2,0,0]=4 6515 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [1,1,0,0,0,0|2,0,0]=4 6516 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,1,0,0,0,0|2,0,0]=4 6517 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [1,1,0,0,0,0|2,0,0]=4 6518 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [1,1,0,0,0,0|2,0,0]=4 6519 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [1,1,0,0,0,0|2,0,0]=4 6520 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [1,1,0,0,0,0|2,0,0]=4 6521 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [1,1,0,0,0,0|2,0,0]=4 6522 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,1,0,0,0,0|2,0,0]=4 6523 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [1,1,0,0,0,0|2,0,0]=4 6524 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [1,1,0,0,0,0|2,0,0]=4 6525 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,1,0,0,0,0|2,0,0]=4 6526 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,1,0,0,0,0|2,0,0]=4 6527 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,1]=4 6528 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [1,1,0,0,0,0|1,0,1]=4 6529 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,1,0,0,0,0|1,0,1]=4 6530 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,1,0,0,0,0|1,0,1]=4 6531 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,1,0,0,0,0|1,0,1]=4 6532 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,1,0,0,0,0|0,0,1]=3 6533 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,1,0,0,0,0|1,0,1]=4 6534 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|0,0,2]=4 6535 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|0,0,2]=4 6536 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [1,1,0,0,0,0|2,0,0]=4 6537 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [1,1,0,0,0,0|2,0,0]=4 6538 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [1,1,0,0,0,0|2,0,0]=4 6539 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [1,1,0,0,0,0|2,0,0]=4 6540 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [1,1,0,0,0,0|2,0,0]=4 6541 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [1,1,0,0,0,0|2,0,0]=4 6542 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [1,1,0,0,0,0|2,0,0]=4 6543 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [1,1,0,0,0,0|2,0,0]=4 6544 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [1,1,0,0,0,0|2,0,0]=4 6545 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [1,1,0,0,0,0|2,0,0]=4 6546 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [1,1,0,0,0,0|2,0,0]=4 6547 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [1,1,0,0,0,0|2,0,0]=4 6548 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [1,1,0,0,0,0|2,0,0]=4 6549 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [1,1,0,0,0,0|2,0,0]=4 6550 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [1,1,0,0,0,0|2,0,0]=4 6551 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|0,0,2]=4 6552 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,1,0,0,0,0|1,0,1]=4 6553 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [1,1,0,0,0,0|2,0,0]=4 6554 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [1,1,0,0,0,0|2,0,0]=4 6555 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [1,1,0,0,0,0|2,0,0]=4 6556 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [1,1,0,0,0,0|2,0,0]=4 6557 B8R0.8 CC(C)C(O)CNCF 34a_100000759067_100015361967 [1,1,0,0,0,0|2,0,0]=4 6558 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|0,0,2]=4 6559 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|0,0,2]=4 6560 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|0,0,2]=4 6561 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|0,0,2]=4 6562 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|0,0,2]=4 6563 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,1]=4 6564 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,1]=4 6565 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,1]=4 6566 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [1,1,0,0,0,0|2,0,0]=4 6567 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [1,1,0,0,0,0|2,0,0]=4 6568 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [1,1,0,0,0,0|2,0,0]=4 6569 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|0,0,1]=3 6570 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|0,0,1]=3 6571 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [1,1,0,0,0,0|2,0,0]=4 6572 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [1,1,0,0,0,0|2,0,0]=4 6573 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [1,1,0,0,0,0|2,0,0]=4 6574 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [1,1,0,0,0,0|2,0,0]=4 6575 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [1,1,0,0,0,0|2,0,0]=4 6576 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [1,1,0,0,0,0|2,0,0]=4 6577 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [1,1,0,0,0,0|2,0,0]=4 6578 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [1,1,0,0,0,0|2,0,0]=4 6579 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [1,1,0,0,0,0|2,0,0]=4 6580 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [1,1,0,0,0,0|1,0,0]=3 6581 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [1,1,0,0,0,0|1,0,0]=3 6582 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [1,1,0,0,0,0|2,0,0]=4 6583 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [1,1,0,0,0,0|2,0,0]=4 6584 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|1,0,1]=4 6585 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|1,0,1]=4 6586 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [1,1,0,0,0,0|2,0,0]=4 6587 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,1,0,0,0,0|2,0,0]=4 6588 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,1,0,0,0,0|2,0,0]=4 6589 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [1,1,0,0,0,0|2,0,0]=4 6590 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [1,1,0,0,0,0|2,0,0]=4 6591 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [1,1,0,0,0,0|2,0,0]=4 6592 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [1,1,0,0,0,0|2,0,0]=4 6593 B8R0.9 CC(C)NC[C@@H](O)CF 2230a_100138425928_100015614560 [1,1,0,0,0,0|2,0,0]=4 6594 B8R0.9 CC(C)NC[C@@H](O)CF 34a_100138425928_100015614560 [1,1,0,0,0,0|2,0,0]=4 6595 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [1,1,0,0,0,0|2,0,0]=4 6596 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [1,1,0,0,0,0|2,0,0]=4 6597 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [1,1,0,0,0,0|2,0,0]=4 6598 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [1,1,0,0,0,0|2,0,0]=4 6599 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [1,1,0,0,0,0|2,0,0]=4 6600 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [1,1,0,0,0,0|2,0,0]=4 6601 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [1,1,0,0,0,0|2,0,0]=4 6602 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [1,1,0,0,0,0|2,0,0]=4 6603 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100000210206_100015614560 [1,1,0,0,0,0|2,0,0]=4 6604 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100015614560_100000210206 [1,1,0,0,0,0|2,0,0]=4 6605 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [1,1,0,0,0,0|2,0,0]=4 6606 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [1,1,0,0,0,0|2,0,0]=4 6607 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|0,0,2]=4 6608 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|0,0,2]=4 6609 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|0,0,2]=4 6610 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|1,0,1]=4 6611 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|1,0,1]=4 6612 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [1,1,0,0,0,0|2,0,0]=4 6613 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [1,1,0,0,0,0|2,0,0]=4 6614 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [1,1,0,0,0,0|2,0,0]=4 6615 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [1,1,0,0,0,0|2,0,0]=4 6616 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [1,1,0,0,0,0|2,0,0]=4 6617 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [1,1,0,0,0,0|2,0,0]=4 6618 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [1,1,0,0,0,0|2,0,0]=4 6619 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [1,1,0,0,0,0|2,0,0]=4 6620 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [1,1,0,0,0,0|2,0,0]=4 6621 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [1,1,0,0,0,0|2,0,0]=4 6622 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [1,1,0,0,0,0|2,0,0]=4 6623 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [1,1,0,0,0,0|2,0,0]=4 6624 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [1,1,0,0,0,0|2,0,0]=4 6625 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [1,1,0,0,0,0|2,0,0]=4 6626 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [1,1,0,0,0,0|2,0,0]=4 6627 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [1,1,0,0,0,0|2,0,0]=4 6628 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [1,1,0,0,0,0|2,0,0]=4 6629 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [1,1,0,0,0,0|2,0,0]=4 6630 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [1,1,0,0,0,0|2,0,0]=4 6631 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [1,1,0,0,0,0|2,0,0]=4 6632 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [1,1,0,0,0,0|2,0,0]=4 6633 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [1,1,0,0,0,0|2,0,0]=4 6634 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [1,1,0,0,0,0|2,0,0]=4 6635 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [1,1,0,0,0,0|2,0,0]=4 6636 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [1,1,0,0,0,0|2,0,0]=4 6637 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [1,1,0,0,0,0|2,0,0]=4 6638 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [1,1,0,0,0,0|2,0,0]=4 6639 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [1,1,0,0,0,0|2,0,0]=4 6640 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|1,0,1]=4 6641 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|1,0,1]=4 6642 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|1,0,1]=4 6643 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [1,1,0,0,0,0|1,0,0]=3 6644 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [1,1,0,0,0,0|1,0,0]=3 6645 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [1,1,0,0,0,0|1,0,0]=3 6646 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [1,1,0,0,0,0|1,0,0]=3 6647 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [1,1,0,0,0,0|1,0,0]=3 6648 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [1,1,0,0,0,0|1,0,0]=3 6649 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [1,1,0,0,0,0|2,0,0]=4 6650 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [1,1,0,0,0,0|2,0,0]=4 6651 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [1,1,0,0,0,0|2,0,0]=4 6652 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [1,1,0,0,0,0|2,0,0]=4 6653 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [1,1,0,0,0,0|2,0,0]=4 6654 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [1,1,0,0,0,0|2,0,0]=4 6655 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [1,1,0,0,0,0|2,0,0]=4 6656 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [1,1,0,0,0,0|2,0,0]=4 6657 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [1,1,0,0,0,0|2,0,0]=4 6658 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [1,1,0,0,0,0|2,0,0]=4 6659 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [1,1,0,0,0,0|2,0,0]=4 6660 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [1,1,0,0,0,0|2,0,0]=4 6661 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [1,1,0,0,0,0|2,0,0]=4 6662 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [1,1,0,0,0,0|2,0,0]=4 6663 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [1,1,0,0,0,0|2,0,0]=4 6664 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [1,1,0,0,0,0|2,0,0]=4 6665 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [1,1,0,0,0,0|2,0,0]=4 6666 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [1,1,0,0,0,0|2,0,0]=4 6667 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [1,1,0,0,0,0|2,0,0]=4 6668 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [1,1,0,0,0,0|2,0,0]=4 6669 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,1,0,0,0,0|2,0,0]=4 6670 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,1,0,0,0,0|2,0,0]=4 6671 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,1,0,0,0,0|2,0,0]=4 6672 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [1,1,0,0,0,0|2,0,0]=4 6673 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [1,1,0,0,0,0|2,0,0]=4 6674 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [1,1,0,0,0,0|2,0,0]=4 6675 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [1,1,0,0,0,0|2,0,0]=4 6676 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [1,1,0,0,0,0|0,0,2]=4 6677 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [1,1,0,0,0,0|0,0,2]=4 6678 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [1,1,0,0,0,0|0,0,2]=4 6679 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [1,1,0,0,0,0|0,0,2]=4 6680 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [1,1,0,0,0,0|2,0,0]=4 6681 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [1,1,0,0,0,0|2,0,0]=4 6682 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,1,0,0,0,0|0,0,2]=4 6683 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,1,0,0,0,0|0,0,2]=4 6684 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,1,0,0,0,0|0,0,2]=4 6685 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,1,0,0,0,0|0,0,2]=4 6686 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [1,1,0,0,0,0|2,0,0]=4 6687 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [1,1,0,0,0,0|2,0,0]=4 6688 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [1,1,0,0,0,0|1,0,0]=3 6689 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [1,1,0,0,0,0|1,0,0]=3 6690 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [1,1,0,0,0,0|1,0,0]=3 6691 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,1,0,0,0,0|0,0,0]=2 6692 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,1,0,0,0,0|0,0,0]=2 6693 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,1,0,0,0,0|0,0,0]=2 6694 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,1,0,0,0,0|0,0,0]=2 6695 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,1,0,0,0,0|0,0,0]=2 6696 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [1,1,0,0,0,0|0,1,0]=3 6697 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [1,1,0,0,0,0|0,1,0]=3 6698 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [1,1,0,0,0,0|0,1,0]=3 6699 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [1,1,0,0,0,0|0,1,0]=3 6700 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [1,1,0,0,0,0|2,0,0]=4 6701 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [1,1,0,0,0,0|2,0,0]=4 6702 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [1,1,0,0,0,0|2,0,0]=4 6703 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [1,1,0,0,0,0|2,0,0]=4 6704 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [1,1,0,0,0,0|2,0,0]=4 6705 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [1,1,0,0,0,0|2,0,0]=4 6706 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [1,1,0,0,0,0|1,0,0]=3 6707 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,0]=3 6708 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [1,1,0,0,0,0|1,0,0]=3 6709 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,0]=3 6710 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [1,1,0,0,0,0|2,0,0]=4 6711 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [1,1,0,0,0,0|2,0,0]=4 6712 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [1,1,0,0,0,0|2,0,0]=4 6713 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [1,1,0,0,0,0|1,0,0]=3 6714 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [1,1,0,0,0,0|2,0,0]=4 6715 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [1,1,0,0,0,0|2,0,0]=4 6716 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [1,1,0,0,0,0|2,0,0]=4 6717 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [1,1,0,0,0,0|2,0,0]=4 6718 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [1,1,0,0,0,0|2,0,0]=4 6719 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [1,1,0,0,0,0|2,0,0]=4 6720 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [1,1,0,0,0,0|2,0,0]=4 6721 B8R0.11 CCNCC(OC)OC 2230a_100015525214_100000751394 [1,1,0,0,0,0|2,0,0]=4 6722 B8R0.11 CCNCC(OC)OC 270004a_100015525214_100000752162 [1,1,0,0,0,0|2,0,0]=4 6723 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [1,1,0,0,0,0|2,0,0]=4 6724 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [1,1,0,0,0,0|2,0,0]=4 6725 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [1,1,0,0,0,0|1,0,0]=3 6726 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [1,1,0,0,0,0|1,0,0]=3 6727 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 6728 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 6729 B8R0.11 CCOCC(OC)OC 34a_100011216393_100000210202 [1,1,0,0,0,0|2,0,0]=4 6730 B8R0.11 CCOCC(OC)OC 34a_100121572206_100000211822 [1,1,0,0,0,0|2,0,0]=4 6731 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [1,1,0,0,0,0|2,0,0]=4 6732 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [1,1,0,0,0,0|2,0,0]=4 6733 B8R0.11 CCSCC(OC)OC 62a_100000210202_100000751394 [1,1,0,0,0,0|2,0,0]=4 6734 B8R0.11 CCSCC(OC)OC 62a_100000751394_100000210202 [1,1,0,0,0,0|2,0,0]=4 6735 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [1,1,0,0,0,0|2,0,0]=4 6736 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [1,1,0,0,0,0|2,0,0]=4 6737 B8R0.11 CC[C@@H](CO)NCOC 2230a_100000709445_100000766300 [1,1,0,0,0,0|2,0,0]=4 6738 B8R0.11 CC[C@@H](CO)NCSC 2230a_100000709445_100011218213 [1,1,0,0,0,0|2,0,0]=4 6739 B8R0.11 CNCCC(OC)OC 2230a_106832991635_100009813347 [1,1,0,0,0,0|2,0,0]=4 6740 B8R0.11 CNCCC(OC)OC 34a_100102657272_100000139399 [1,1,0,0,0,0|2,0,0]=4 6741 B8R0.11 CNCCC(OC)OC 7a_106832991635_100009813347 [1,1,0,0,0,0|2,0,0]=4 6742 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [1,1,0,0,0,0|2,0,0]=4 6743 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [1,1,0,0,0,0|2,0,0]=4 6744 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [1,1,0,0,0,0|2,0,0]=4 6745 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [1,1,0,0,0,0|2,0,0]=4 6746 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [1,1,0,0,0,0|2,0,0]=4 6747 B8R0.11 COCCC(OC)OC 34a_100138415774_100000139399 [1,1,0,0,0,0|2,0,0]=4 6748 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [1,1,0,0,0,0|2,0,0]=4 6749 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|0,0,2]=4 6750 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|0,0,2]=4 6751 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|0,0,1]=3 6752 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|0,0,1]=3 6753 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|0,0,2]=4 6754 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [1,1,0,0,0,0|2,0,0]=4 6755 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [1,1,0,0,0,0|2,0,0]=4 6756 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [1,1,0,0,0,0|2,0,0]=4 6757 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [1,1,0,0,0,0|2,0,0]=4 6758 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [1,1,0,0,0,0|2,0,0]=4 6759 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [1,1,0,0,0,0|2,0,0]=4 6760 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [1,1,0,0,0,0|2,0,0]=4 6761 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [1,1,0,0,0,0|2,0,0]=4 6762 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [1,1,0,0,0,0|2,0,0]=4 6763 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [1,1,0,0,0,0|2,0,0]=4 6764 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|1,0,1]=4 6765 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,1]=4 6766 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,1]=4 6767 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,1]=4 6768 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [1,1,0,0,0,0|1,0,0]=3 6769 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [1,1,0,0,0,0|1,0,0]=3 6770 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [1,1,0,0,0,0|1,0,0]=3 6771 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [1,1,0,0,0,0|1,0,0]=3 6772 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [1,1,0,0,0,0|1,0,0]=3 6773 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [1,1,0,0,0,0|1,0,0]=3 6774 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [1,1,0,0,0,0|2,0,0]=4 6775 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [1,1,0,0,0,0|2,0,0]=4 6776 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [1,1,0,0,0,0|2,0,0]=4 6777 B8R0.19 CCN(C)C[C@@H](O)CF 2230a_100000225621_100015614560 [1,1,0,0,0,0|2,0,0]=4 6778 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [1,1,0,0,0,0|2,0,0]=4 6779 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [1,1,0,0,0,0|2,0,0]=4 6780 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [1,1,0,0,0,0|2,0,0]=4 6781 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [1,1,0,0,0,0|2,0,0]=4 6782 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [1,1,0,0,0,0|2,0,0]=4 6783 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [1,1,0,0,0,0|2,0,0]=4 6784 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [1,1,0,0,0,0|2,0,0]=4 6785 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [1,1,0,0,0,0|2,0,0]=4 6786 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [1,1,0,0,0,0|2,0,0]=4 6787 B8R0.25 CCOCC(C)(C)CC 7a_100000765029_100000210202 [1,1,0,0,0,0|2,0,0]=4 6788 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [1,1,0,0,0,0|2,0,0]=4 6789 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,1,0,0,0,0|1,0,1]=4 6790 B8R0.5 CC(O)CN(C)CCF 2230a_100000227577_100011217306 [1,1,0,0,0,0|2,0,0]=4 6791 B8R0.5 CC(O)CN(C)CCF 269982a_100000227577_100011217306 [1,1,0,0,0,0|2,0,0]=4 6792 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [1,1,0,0,0,0|2,0,0]=4 6793 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [1,1,0,0,0,0|2,0,0]=4 6794 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [1,1,0,0,0,0|2,0,0]=4 6795 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [1,1,0,0,0,0|2,0,0]=4 6796 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [1,1,0,0,0,0|2,0,0]=4 6797 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [1,1,0,0,0,0|2,0,0]=4 6798 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [1,1,0,0,0,0|2,0,0]=4 6799 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [1,1,0,0,0,0|2,0,0]=4 6800 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,1,0,0,0,0|1,0,1]=4 6801 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,1,0,0,0,0|1,0,1]=4 6802 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,1,0,0,0,0|0,0,1]=3 6803 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,1,0,0,0,0|0,0,1]=3 6804 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|0,0,2]=4 6805 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|0,0,2]=4 6806 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|0,0,2]=4 6807 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [1,1,0,0,0,0|2,0,0]=4 6808 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [1,1,0,0,0,0|2,0,0]=4 6809 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [1,1,0,0,0,0|2,0,0]=4 6810 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [1,1,0,0,0,0|2,0,0]=4 6811 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [1,1,0,0,0,0|2,0,0]=4 6812 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [1,1,0,0,0,0|2,0,0]=4 6813 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,1,0,0,0,0|2,0,0]=4 6814 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,1,0,0,0,0|2,0,0]=4 6815 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,1,0,0,0,0|2,0,0]=4 6816 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [1,1,0,0,0,0|2,0,0]=4 6817 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [1,1,0,0,0,0|2,0,0]=4 6818 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [1,1,0,0,0,0|2,0,0]=4 6819 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [1,1,0,0,0,0|2,0,0]=4 6820 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [1,1,0,0,0,0|2,0,0]=4 6821 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [1,1,0,0,0,0|2,0,0]=4 6822 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [1,1,0,0,0,0|2,0,0]=4 6823 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [1,1,0,0,0,0|1,0,0]=3 6824 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [1,1,0,0,0,0|1,0,0]=3 6825 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [1,1,0,0,0,0|1,0,0]=3 6826 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [1,1,0,0,0,0|1,0,0]=3 6827 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [1,1,0,0,0,0|1,0,0]=3 6828 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [1,1,0,0,0,0|1,0,0]=3 6829 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,1,0,0,0,0|1,0,1]=4 6830 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [1,1,0,0,0,0|2,0,0]=4 6831 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [1,1,0,0,0,0|2,0,0]=4 6832 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,1,0,0,0,0|2,0,0]=4 6833 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,1,0,0,0,0|2,0,0]=4 6834 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,1,0,0,0,0|2,0,0]=4 6835 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [1,1,0,0,0,0|2,0,0]=4 6836 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [1,1,0,0,0,0|2,0,0]=4 6837 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,1,0,0,0,0|1,0,1]=4 6838 B8R0.5 COCN(C)CC(C)O 2230a_100000227577_100000766300 [1,1,0,0,0,0|2,0,0]=4 6839 B8R0.5 COCN(C)CC(C)O 269982a_100000227577_100000766300 [1,1,0,0,0,0|2,0,0]=4 6840 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [1,1,0,0,0,0|2,0,0]=4 6841 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,1,0,0,0,0|1,0,1]=4 6842 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [1,1,0,0,0,0|2,0,0]=4 6843 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [1,1,0,0,0,0|2,0,0]=4 6844 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [1,1,0,0,0,0|1,0,1]=4 6845 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,1,0,0,0,0|1,0,1]=4 6846 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [1,1,0,0,0,0|2,0,0]=4 6847 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [1,1,0,0,0,0|2,0,0]=4 6848 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [1,1,0,0,0,0|1,0,0]=3 6849 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [1,1,0,0,0,0|1,0,0]=3 6850 B8R0.21 CC(C)(O)CCSCF 62a_100000702414_100015361967 [1,1,0,0,0,0|2,0,0]=4 6851 B8R0.21 CC(C)(O)CCSCF 62a_100015361967_100000702414 [1,1,0,0,0,0|2,0,0]=4 6852 B8R0.21 CC(C)(O)CNCCF 2230a_100000751335_100011217306 [1,1,0,0,0,0|2,0,0]=4 6853 B8R0.21 CC(C)(O)CNCCF 34a_100000724931_100000764493 [1,1,0,0,0,0|2,0,0]=4 6854 B8R0.21 CC(C)(O)CNCCO 2230a_100000751335_100000211926 [1,1,0,0,0,0|2,0,0]=4 6855 B8R0.21 CC(C)(O)CNCCO 34a_100016990907_100000764493 [1,1,0,0,0,0|2,0,0]=4 6856 B8R0.21 CC(C)(O)COCCBr 34a_100000211926_100000764493 [1,1,0,0,0,0|2,0,0]=4 6857 B8R0.21 CC(C)(O)COCCN 34a_100000210304_100000764493 [1,1,0,0,0,0|2,0,0]=4 6858 B8R0.21 CC(C)(O)CSCCF 62a_100000764493_100011217306 [1,1,0,0,0,0|2,0,0]=4 6859 B8R0.21 CC(C)(O)CSCCF 62a_100011217306_100000764493 [1,1,0,0,0,0|2,0,0]=4 6860 B8R0.21 CC(C)(O)CSCCO 62a_100000211926_100000764493 [1,1,0,0,0,0|2,0,0]=4 6861 B8R0.21 CC(C)(O)CSCCO 62a_100000764493_100000211926 [1,1,0,0,0,0|2,0,0]=4 6862 B8R0.21 CCCCNC(C)(C)C 2230a_100000715429_100000210211 [1,1,0,0,0,0|2,0,0]=4 6863 B8R0.21 CCCCOC(C)(C)C 34a_100000210227_100000210625 [1,1,0,0,0,0|2,0,0]=4 6864 B8R0.21 CCCCOC(C)(C)C 34a_100015890283_100000210210 [1,1,0,0,0,0|2,0,0]=4 6865 B8R0.21 CCCCOC(C)(C)C 7a_100015890283_100000210211 [1,1,0,0,0,0|2,0,0]=4 6866 B8R0.21 CCCCSC(C)(C)C 62a_100000210211_100000211941 [1,1,0,0,0,0|2,0,0]=4 6867 B8R0.21 CCCCSC(C)(C)C 62a_100000211941_100000210210 [1,1,0,0,0,0|2,0,0]=4 6868 B8R0.21 CCCNCC(C)(C)C 2230a_100000743828_100000210303 [1,1,0,0,0,0|2,0,0]=4 6869 B8R0.21 CCCNCC(C)(C)C 270004a_100020643023_100011204126 [1,1,0,0,0,0|2,0,0]=4 6870 B8R0.21 CCCNCC(C)(C)F 2230a_100020643315_100000210303 [1,1,0,0,0,0|2,0,0]=4 6871 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [1,1,0,0,0,0|1,0,0]=3 6872 B8R0.21 CCCOCC(C)(C)C 34a_100000210258_100011219605 [1,1,0,0,0,0|2,0,0]=4 6873 B8R0.21 CCCOCC(C)(C)F 34a_100000210258_100011997219 [1,1,0,0,0,0|2,0,0]=4 6874 B8R0.21 CCCOCC(C)(C)F 34a_100000716592_100000210303 [1,1,0,0,0,0|2,0,0]=4 6875 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [1,1,0,0,0,0|1,0,0]=3 6876 B8R0.21 CCCOCC(C)(F)F 34a_100000068830_100000210303 [1,1,0,0,0,0|2,0,0]=4 6877 B8R0.21 CCCSCC(C)(C)C 62a_100000210303_100011219605 [1,1,0,0,0,0|2,0,0]=4 6878 B8R0.21 CCCSCC(C)(C)C 62a_100011219605_100000210303 [1,1,0,0,0,0|2,0,0]=4 6879 B8R0.21 CCCSCC(C)(C)F 62a_100000210303_100011997219 [1,1,0,0,0,0|2,0,0]=4 6880 B8R0.21 CCCSCC(C)(C)F 62a_100011997219_100000210303 [1,1,0,0,0,0|2,0,0]=4 6881 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [1,1,0,0,0,0|1,0,0]=3 6882 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [1,1,0,0,0,0|1,0,0]=3 6883 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [1,1,0,0,0,0|2,0,0]=4 6884 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [1,1,0,0,0,0|2,0,0]=4 6885 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [1,1,0,0,0,0|2,0,0]=4 6886 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [1,1,0,0,0,0|1,0,0]=3 6887 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [1,1,0,0,0,0|2,0,0]=4 6888 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [1,1,0,0,0,0|2,0,0]=4 6889 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [1,1,0,0,0,0|1,0,0]=3 6890 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [1,1,0,0,0,0|2,0,0]=4 6891 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [1,1,0,0,0,0|2,0,0]=4 6892 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [1,1,0,0,0,0|1,0,0]=3 6893 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [1,1,0,0,0,0|1,0,0]=3 6894 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [1,1,0,0,0,0|1,0,0]=3 6895 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [1,1,0,0,0,0|1,0,0]=3 6896 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [1,1,0,0,0,0|1,0,0]=3 6897 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [1,1,0,0,0,0|1,0,0]=3 6898 B8R0.21 COCNCC(C)(C)O 2230a_100000751335_100000766300 [1,1,0,0,0,0|2,0,0]=4 6899 B8R0.21 COCSCC(C)(C)O 62a_100000764493_100000766300 [1,1,0,0,0,0|2,0,0]=4 6900 B8R0.21 COCSCC(C)(C)O 62a_100000766300_100000764493 [1,1,0,0,0,0|2,0,0]=4 6901 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [1,1,0,0,0,0|1,0,0]=3 6902 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [1,1,0,0,0,0|1,0,0]=3 6903 B8R0.21 CSCNCC(C)(C)O 2230a_100000751335_100011218213 [1,1,0,0,0,0|2,0,0]=4 6904 B8R0.21 CSCSCC(C)(C)O 62a_100000764493_100011218213 [1,1,0,0,0,0|2,0,0]=4 6905 B8R0.21 CSCSCC(C)(C)O 62a_100011218213_100000764493 [1,1,0,0,0,0|2,0,0]=4 6906 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [1,1,0,0,0,0|1,0,1]=4 6907 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [1,1,0,0,0,0|1,0,1]=4 6908 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [1,1,0,0,0,0|1,0,1]=4 6909 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [1,1,0,0,0,0|1,0,1]=4 6910 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [1,1,0,0,0,0|1,0,1]=4 6911 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [1,1,0,0,0,0|1,0,1]=4 6912 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [1,1,0,0,0,0|1,0,1]=4 6913 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [1,1,0,0,0,0|1,0,1]=4 6914 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,2]=4 6915 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,2]=4 6916 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,1]=3 6917 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|1,0,1]=4 6918 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|1,0,1]=4 6919 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,1]=4 6920 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,1]=4 6921 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,1,0,0,0,0|2,0,0]=4 6922 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [1,1,0,0,0,0|1,0,0]=3 6923 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,2]=4 6924 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,1,0,0,0,0|2,0,0]=4 6925 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,1,0,0,0,0|2,0,0]=4 6926 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [1,1,0,0,0,0|2,0,0]=4 6927 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [1,1,0,0,0,0|2,0,0]=4 6928 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,1,0,0,0,0|2,0,0]=4 6929 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,1,0,0,0,0|2,0,0]=4 6930 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,1,0,0,0,0|2,0,0]=4 6931 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [1,1,0,0,0,0|2,0,0]=4 6932 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [1,1,0,0,0,0|2,0,0]=4 6933 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [1,1,0,0,0,0|2,0,0]=4 6934 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [1,1,0,0,0,0|2,0,0]=4 6935 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [1,1,0,0,0,0|2,0,0]=4 6936 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [1,1,0,0,0,0|1,0,0]=3 6937 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [1,1,0,0,0,0|1,0,0]=3 6938 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [1,1,0,0,0,0|1,0,0]=3 6939 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [1,1,0,0,0,0|1,0,0]=3 6940 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [1,1,0,0,0,0|1,0,0]=3 6941 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [1,1,0,0,0,0|1,0,0]=3 6942 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [1,1,0,0,0,0|1,0,0]=3 6943 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [1,1,0,0,0,0|2,0,0]=4 6944 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [1,1,0,0,0,0|2,0,0]=4 6945 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [1,1,0,0,0,0|2,0,0]=4 6946 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [1,1,0,0,0,0|1,0,0]=3 6947 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [1,1,0,0,0,0|2,0,0]=4 6948 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [1,1,0,0,0,0|2,0,0]=4 6949 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [1,1,0,0,0,0|1,0,0]=3 6950 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [1,1,0,0,0,0|2,0,0]=4 6951 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [1,1,0,0,0,0|1,0,0]=3 6952 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [1,1,0,0,0,0|1,0,0]=3 6953 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [1,1,0,0,0,0|1,0,0]=3 6954 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [1,1,0,0,0,0|1,0,0]=3 6955 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,1,0,0,0,0|2,0,0]=4 6956 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [1,1,0,0,0,0|1,0,0]=3 6957 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,1,0,0,0,0|1,0,0]=3 6958 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,1,0,0,0,0|1,0,0]=3 6959 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [1,1,0,0,0,0|1,0,0]=3 6960 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [1,1,0,0,0,0|1,0,0]=3 6961 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [1,1,0,0,0,0|1,0,0]=3 6962 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,1,0,0,0,0|1,0,0]=3 6963 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [1,1,0,0,0,0|1,0,0]=3 6964 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [1,1,0,0,0,0|1,0,0]=3 6965 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [1,1,0,0,0,0|1,0,0]=3 6966 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [1,1,0,0,0,0|1,0,0]=3 6967 B8R0.28 CC(O)CNCC(F)F 2230a_100000210904_100011934356 [1,1,0,0,0,0|2,0,0]=4 6968 B8R0.28 CC(O)CNCC(F)F 34a_100000210904_100011934356 [1,1,0,0,0,0|2,0,0]=4 6969 B8R0.28 CC(O)CNCC(F)F 34a_100000765723_100011218427 [1,1,0,0,0,0|2,0,0]=4 6970 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [1,1,0,0,0,0|1,0,0]=3 6971 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [1,1,0,0,0,0|1,0,0]=3 6972 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [1,1,0,0,0,0|1,0,0]=3 6973 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [1,1,0,0,0,0|1,0,0]=3 6974 B8R0.28 CC(O)COCC(F)F 34a_100000743014_100011218427 [1,1,0,0,0,0|2,0,0]=4 6975 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [1,1,0,0,0,0|1,0,0]=3 6976 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [1,1,0,0,0,0|1,0,0]=3 6977 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [1,1,0,0,0,0|1,0,0]=3 6978 B8R0.28 CC(O)CSCC(F)F 62a_100011218427_100011934356 [1,1,0,0,0,0|2,0,0]=4 6979 B8R0.28 CC(O)CSCC(F)F 62a_100011934356_100011218427 [1,1,0,0,0,0|2,0,0]=4 6980 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [1,1,0,0,0,0|1,0,0]=3 6981 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [1,1,0,0,0,0|1,0,0]=3 6982 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [1,1,0,0,0,0|1,0,0]=3 6983 B8R0.28 C[C@@H](O)CNCC(F)F 34a_100000765723_100009817552 [1,1,0,0,0,0|2,0,0]=4 6984 B8R0.28 C[C@@H](O)COCC(F)F 34a_100000743014_100009817552 [1,1,0,0,0,0|2,0,0]=4 6985 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [1,1,0,0,0,0|1,0,0]=3 6986 B8R0.28 C[C@@H](O)CSCC(F)F 62a_100009817552_100011934356 [1,1,0,0,0,0|2,0,0]=4 6987 B8R0.28 C[C@@H](O)CSCC(F)F 62a_100011934356_100009817552 [1,1,0,0,0,0|2,0,0]=4 6988 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [1,1,0,0,0,0|1,0,0]=3 6989 B10R0.3 C=C(C)CNCC(O)COC 2230a_100000756049_100000748629 [0,2,0,0,0,0|1,0,1]=4 6990 B10R0.3 C=C(C)CNCC(O)COC 34a_100000756049_100000748629 [0,2,0,0,0,0|1,0,1]=4 6991 B10R0.3 C=C(C)COCC(O)COC 34a_100000210245_100011215053 [0,2,0,0,0,0|1,0,1]=4 6992 B10R0.3 C=C(C)CSCC(O)COC 62a_100000748629_100011215053 [0,2,0,0,0,0|1,0,1]=4 6993 B10R0.3 C=C(C)CSCC(O)COC 62a_100011215053_100000211660 [0,2,0,0,0,0|1,0,1]=4 6994 B10R0.3 CC(Br)CCOC(C)CCO 34a_100009893172_100009893172 [0,2,0,0,0,0|2,0,0]=4 6995 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|0,0,2]=4 6996 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|0,0,2]=4 6997 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|0,0,2]=4 6998 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,2,0,0,0,0|2,0,0]=4 6999 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,2,0,0,0,0|2,0,0]=4 7000 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,2,0,0,0,0|2,0,0]=4 7001 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,2,0,0,0,0|2,0,0]=4 7002 B10R0.3 CC(C)CCN[C@H](C)CCO 2230a_100000706166_100000210312 [0,2,0,0,0,0|2,0,0]=4 7003 B10R0.3 CC(C)CCN[C@H](C)CCO 269862a_100000706166_100000185833 [0,2,0,0,0,0|2,0,0]=4 7004 B10R0.3 CC(C)CCN[C@H](C)CCO 34a_100000706166_100000210312 [0,2,0,0,0,0|2,0,0]=4 7005 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [0,2,0,0,0,0|2,0,0]=4 7006 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [0,2,0,0,0,0|2,0,0]=4 7007 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [0,2,0,0,0,0|2,0,0]=4 7008 B10R0.3 CC(C)CCSC(C)CCO 62a_100000210312_100009893172 [0,2,0,0,0,0|2,0,0]=4 7009 B10R0.3 CC(C)CCSC(C)CCO 62a_100009893172_100000210312 [0,2,0,0,0,0|2,0,0]=4 7010 B10R0.3 CC(C)CNC[C@@H](O)CC#N 2230a_100000210953_100000001066 [0,2,0,0,0,0|1,0,1]=4 7011 B10R0.3 CC(C)COCC(C)CCN 34a_106354213184_100000210624 [0,2,0,0,0,0|2,0,0]=4 7012 B10R0.3 CC(C)CSC[C@@H](O)CC#N 62a_100000001066_100000210760 [0,2,0,0,0,0|1,0,1]=4 7013 B10R0.3 CC(C)CSC[C@@H](O)CC#N 62a_100000210624_100000001066 [0,2,0,0,0,0|1,0,1]=4 7014 B10R0.3 CC(CCN)COC[C@@H](C)O 34a_106354213184_100009817552 [0,2,0,0,0,0|2,0,0]=4 7015 B10R0.3 CC(CCO)OCC[C@@H](C)N 34a_100000706166_100009893172 [0,2,0,0,0,0|2,0,0]=4 7016 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|0,0,2]=4 7017 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [0,2,0,0,0,0|2,0,0]=4 7018 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [0,2,0,0,0,0|2,0,0]=4 7019 B10R0.3 CC(O)CCNC(C)CCO 2230a_200000755665_100009893172 [0,2,0,0,0,0|2,0,0]=4 7020 B10R0.3 CC(O)CCN[C@H](C)CCO 2230a_100000706166_100012276601 [0,2,0,0,0,0|2,0,0]=4 7021 B10R0.3 CC(O)CCN[C@H](C)CCO 34a_100000706166_100012276601 [0,2,0,0,0,0|2,0,0]=4 7022 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [0,2,0,0,0,0|2,0,0]=4 7023 B10R0.3 CC(O)CCSC(C)CCO 62a_100009893172_100012276601 [0,2,0,0,0,0|2,0,0]=4 7024 B10R0.3 CC(O)CCSC(C)CCO 62a_100012276601_100009893172 [0,2,0,0,0,0|2,0,0]=4 7025 B10R0.3 CC(O)CNC[C@@H](O)CC#N 2230a_100000210904_100000001066 [0,2,0,0,0,0|1,0,1]=4 7026 B10R0.3 CC(O)COCC(C)CCN 34a_106354213184_100011218427 [0,2,0,0,0,0|2,0,0]=4 7027 B10R0.3 CC(O)CSC[C@@H](O)CC#N 62a_100000001066_100011218427 [0,2,0,0,0,0|1,0,1]=4 7028 B10R0.3 CC(O)CSC[C@@H](O)CC#N 62a_100011218427_100000001066 [0,2,0,0,0,0|1,0,1]=4 7029 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|0,0,2]=4 7030 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|0,0,2]=4 7031 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|0,0,2]=4 7032 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,2,0,0,0,0|2,0,0]=4 7033 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,2,0,0,0,0|2,0,0]=4 7034 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [0,2,0,0,0,0|2,0,0]=4 7035 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [0,2,0,0,0,0|2,0,0]=4 7036 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [0,2,0,0,0,0|2,0,0]=4 7037 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [0,2,0,0,0,0|2,0,0]=4 7038 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [0,2,0,0,0,0|2,0,0]=4 7039 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [0,2,0,0,0,0|2,0,0]=4 7040 B10R0.3 CCCC(C)COCC(C)Br 34a_100012180447_100011216630 [0,2,0,0,0,0|2,0,0]=4 7041 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [0,2,0,0,0,0|2,0,0]=4 7042 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [0,2,0,0,0,0|2,0,0]=4 7043 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [0,2,0,0,0,0|2,0,0]=4 7044 B10R0.3 CCCC(C)COCC(C)F 34a_100015925927_100011216630 [0,2,0,0,0,0|2,0,0]=4 7045 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [0,2,0,0,0,0|2,0,0]=4 7046 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [0,2,0,0,0,0|2,0,0]=4 7047 B10R0.3 CCCC(C)COC[C@@H](C)Cl 34a_100016084084_100011216630 [0,2,0,0,0,0|2,0,0]=4 7048 B10R0.3 CCCC(C)COC[C@@H](C)N 34a_100000737577_100011216630 [0,2,0,0,0,0|2,0,0]=4 7049 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [0,2,0,0,0,0|2,0,0]=4 7050 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [0,2,0,0,0,0|2,0,0]=4 7051 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [0,2,0,0,0,0|2,0,0]=4 7052 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [0,2,0,0,0,0|2,0,0]=4 7053 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [0,2,0,0,0,0|2,0,0]=4 7054 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [0,2,0,0,0,0|2,0,0]=4 7055 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [0,2,0,0,0,0|2,0,0]=4 7056 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [0,2,0,0,0,0|2,0,0]=4 7057 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [0,2,0,0,0,0|2,0,0]=4 7058 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [0,2,0,0,0,0|2,0,0]=4 7059 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [0,2,0,0,0,0|2,0,0]=4 7060 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [0,2,0,0,0,0|2,0,0]=4 7061 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [0,2,0,0,0,0|2,0,0]=4 7062 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [0,2,0,0,0,0|2,0,0]=4 7063 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [0,2,0,0,0,0|2,0,0]=4 7064 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,2,0,0,0,0|2,0,0]=4 7065 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,2,0,0,0,0|2,0,0]=4 7066 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,2,0,0,0,0|2,0,0]=4 7067 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,2,0,0,0,0|2,0,0]=4 7068 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,2,0,0,0,0|2,0,0]=4 7069 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,2,0,0,0,0|2,0,0]=4 7070 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [0,2,0,0,0,0|2,0,0]=4 7071 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [0,2,0,0,0,0|2,0,0]=4 7072 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [0,2,0,0,0,0|2,0,0]=4 7073 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [0,2,0,0,0,0|2,0,0]=4 7074 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [0,2,0,0,0,0|2,0,0]=4 7075 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,2,0,0,0,0|2,0,0]=4 7076 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,2,0,0,0,0|2,0,0]=4 7077 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,2,0,0,0,0|2,0,0]=4 7078 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,2,0,0,0,0|2,0,0]=4 7079 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,2,0,0,0,0|2,0,0]=4 7080 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [0,2,0,0,0,0|2,0,0]=4 7081 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,2,0,0,0,0|2,0,0]=4 7082 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,2,0,0,0,0|2,0,0]=4 7083 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|0,0,2]=4 7084 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|0,0,2]=4 7085 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|0,0,2]=4 7086 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|0,0,2]=4 7087 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,2,0,0,0,0|1,0,0]=3 7088 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,2,0,0,0,0|1,0,0]=3 7089 B10R0.3 CCNC(C)CCOC(C)C 270004a_100015525214_200011219172 [0,2,0,0,0,0|2,0,0]=4 7090 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,2,0,0,0,0|1,0,0]=3 7091 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,2,0,0,0,0|1,0,0]=3 7092 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|0,0,2]=4 7093 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|0,0,2]=4 7094 B10R0.3 COCC(C)NCCC(C)C 270004a_100000210545_100000749346 [0,2,0,0,0,0|2,0,0]=4 7095 B10R0.3 COCC(C)NCCC(C)O 2230a_200000755665_100000765312 [0,2,0,0,0,0|2,0,0]=4 7096 B10R0.3 COCC(C)NCCC(C)O 270004a_200000755665_100000749346 [0,2,0,0,0,0|2,0,0]=4 7097 B10R0.3 COCC(C)OCCC(C)Br 34a_100009893172_100000765312 [0,2,0,0,0,0|2,0,0]=4 7098 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [0,2,0,0,0,0|2,0,0]=4 7099 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [0,2,0,0,0,0|2,0,0]=4 7100 B10R0.3 COCC(C)OCC[C@@H](C)N 34a_100000706166_100000765312 [0,2,0,0,0,0|2,0,0]=4 7101 B10R0.3 COCC(C)SCCC(C)C 62a_100000210312_100000765312 [0,2,0,0,0,0|2,0,0]=4 7102 B10R0.3 COCC(C)SCCC(C)C 62a_100000765312_100000210312 [0,2,0,0,0,0|2,0,0]=4 7103 B10R0.3 COCC(C)SCCC(C)O 62a_100000765312_100012276601 [0,2,0,0,0,0|2,0,0]=4 7104 B10R0.3 COCC(C)SCCC(C)O 62a_100012276601_100000765312 [0,2,0,0,0,0|2,0,0]=4 7105 B10R0.3 COCC(N)COCC(C)C 34a_100000724102_100000210624 [0,2,0,0,0,0|2,0,0]=4 7106 B10R0.3 COCC(N)COCC(C)O 34a_100000724102_100011218427 [0,2,0,0,0,0|2,0,0]=4 7107 B10R0.3 COCC(N)COC[C@@H](C)O 34a_100000724102_100009817552 [0,2,0,0,0,0|2,0,0]=4 7108 B10R0.3 COCC(O)CNCC(C)C 2230a_100000756049_100000210760 [0,2,0,0,0,0|1,0,0]=3 7109 B10R0.3 COCC(O)CNCC(C)C 270004a_100000756049_100000210432 [0,2,0,0,0,0|1,0,0]=3 7110 B10R0.3 COCC(O)CNCC(C)C 34a_100000210953_100011215053 [0,2,0,0,0,0|1,0,0]=3 7111 B10R0.3 COCC(O)CNCC(C)C 34a_100000756049_100000210624 [0,2,0,0,0,0|1,0,0]=3 7112 B10R0.3 COCC(O)CNCC(C)O 2230a_100000756049_100011218427 [0,2,0,0,0,0|1,0,0]=3 7113 B10R0.3 COCC(O)CNCC(C)O 34a_100000210904_100011215053 [0,2,0,0,0,0|1,0,0]=3 7114 B10R0.3 COCC(O)CNCC(C)O 34a_100000756049_100011218427 [0,2,0,0,0,0|1,0,0]=3 7115 B10R0.3 COCC(O)CNCC(F)F 2230a_100000756049_100011934356 [0,2,0,0,0,0|2,0,0]=4 7116 B10R0.3 COCC(O)CNCC(F)F 34a_100000756049_100011934356 [0,2,0,0,0,0|2,0,0]=4 7117 B10R0.3 COCC(O)CNCC(F)F 34a_100000765723_100011215053 [0,2,0,0,0,0|2,0,0]=4 7118 B10R0.3 COCC(O)CNC[C@@H](C)O 2230a_100000756049_100009817552 [0,2,0,0,0,0|1,0,0]=3 7119 B10R0.3 COCC(O)CNC[C@@H](C)O 34a_100000756049_100009817552 [0,2,0,0,0,0|1,0,0]=3 7120 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,2,0,0,0,0|1,0,1]=4 7121 B10R0.3 COCC(O)COCC(C)Br 34a_100012180447_100011215053 [0,2,0,0,0,0|1,0,0]=3 7122 B10R0.3 COCC(O)COCC(C)C 34a_100000210257_100011215053 [0,2,0,0,0,0|1,0,0]=3 7123 B10R0.3 COCC(O)COCC(C)F 34a_100015925927_100011215053 [0,2,0,0,0,0|1,0,0]=3 7124 B10R0.3 COCC(O)COCC(F)F 34a_100000743014_100011215053 [0,2,0,0,0,0|2,0,0]=4 7125 B10R0.3 COCC(O)COC[C@@H](C)Cl 34a_100016084084_100011215053 [0,2,0,0,0,0|1,0,0]=3 7126 B10R0.3 COCC(O)COC[C@@H](C)N 34a_100000737577_100011215053 [0,2,0,0,0,0|1,0,0]=3 7127 B10R0.3 COCC(O)CSCC(C)C 62a_100000210624_100011215053 [0,2,0,0,0,0|1,0,0]=3 7128 B10R0.3 COCC(O)CSCC(C)C 62a_100011215053_100000210760 [0,2,0,0,0,0|1,0,0]=3 7129 B10R0.3 COCC(O)CSCC(C)O 62a_100011215053_100011218427 [0,2,0,0,0,0|1,0,0]=3 7130 B10R0.3 COCC(O)CSCC(C)O 62a_100011218427_100011215053 [0,2,0,0,0,0|1,0,0]=3 7131 B10R0.3 COCC(O)CSCC(F)F 62a_100011215053_100011934356 [0,2,0,0,0,0|2,0,0]=4 7132 B10R0.3 COCC(O)CSCC(F)F 62a_100011934356_100011215053 [0,2,0,0,0,0|2,0,0]=4 7133 B10R0.3 COCC(O)CSC[C@@H](C)O 62a_100009817552_100011215053 [0,2,0,0,0,0|1,0,0]=3 7134 B10R0.3 COCC(O)CSC[C@@H](C)O 62a_100011215053_100009817552 [0,2,0,0,0,0|1,0,0]=3 7135 B10R0.3 COC[C@@H](C)NCCC(C)C 2230a_100000764878_100000210312 [0,2,0,0,0,0|2,0,0]=4 7136 B10R0.3 COC[C@@H](C)NCCC(C)C 269862a_100000764878_100000185833 [0,2,0,0,0,0|2,0,0]=4 7137 B10R0.3 COC[C@@H](C)NCCC(C)O 2230a_100000764878_100012276601 [0,2,0,0,0,0|2,0,0]=4 7138 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [0,2,0,0,0,0|2,0,0]=4 7139 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [0,2,0,0,0,0|2,0,0]=4 7140 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,2,0,0,0,0|0,0,2]=4 7141 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|0,0,2]=4 7142 B10R0.3 CSCC(C)NCCC(C)C 270004a_100000210545_100011216314 [0,2,0,0,0,0|2,0,0]=4 7143 B10R0.3 CSCC(C)NCCC(C)O 270004a_200000755665_100011216314 [0,2,0,0,0,0|2,0,0]=4 7144 B10R0.3 C[C@@H](O)CSC[C@@H](O)CC#N 62a_100000001066_100009817552 [0,2,0,0,0,0|1,0,1]=4 7145 B10R0.3 C[C@@H](O)CSC[C@@H](O)CC#N 62a_100009817552_100000001066 [0,2,0,0,0,0|1,0,1]=4 7146 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,2,0,0,0,0|0,0,2]=4 7147 B10R0.44 C=C(C)CN(C)CC(O)CC 2230a_100000225649_100011218378 [0,2,0,0,0,0|1,0,1]=4 7148 B10R0.44 C=C(C)CN(C)CC(O)CC 269982a_100000225649_100011218378 [0,2,0,0,0,0|1,0,1]=4 7149 B10R0.44 CC(C)CN(C)CC(O)CO 2230a_100000747067_100011219619 [0,2,0,0,0,0|2,0,0]=4 7150 B10R0.44 CC(C)CN(C)CC(O)CO 2230a_100011216503_100000210760 [0,2,0,0,0,0|2,0,0]=4 7151 B10R0.44 CC(C)CN(C)CC(O)CO 269982a_100011216503_100000210624 [0,2,0,0,0,0|2,0,0]=4 7152 B10R0.44 CC(C)CN(C)CC(O)CO 270004a_100011216503_100000210432 [0,2,0,0,0,0|2,0,0]=4 7153 B10R0.44 CC(C)CN(C)C[C@@H](O)CF 2230a_100000747067_100015614560 [0,2,0,0,0,0|2,0,0]=4 7154 B10R0.44 CC(C)CN(C)C[C@@H](O)CO 2230a_100000747067_100009815848 [0,2,0,0,0,0|2,0,0]=4 7155 B10R0.44 CC(O)CN(C)CC(O)CO 2230a_100000227577_100011219619 [0,2,0,0,0,0|2,0,0]=4 7156 B10R0.44 CC(O)CN(C)CC(O)CO 2230a_100011216503_100011218427 [0,2,0,0,0,0|2,0,0]=4 7157 B10R0.44 CC(O)CN(C)CC(O)CO 269982a_100011216503_100011218427 [0,2,0,0,0,0|2,0,0]=4 7158 B10R0.44 CC(O)CN(C)C[C@@H](O)CF 2230a_100000227577_100015614560 [0,2,0,0,0,0|2,0,0]=4 7159 B10R0.44 CC(O)CN(C)C[C@@H](O)CO 2230a_100000227577_100009815848 [0,2,0,0,0,0|2,0,0]=4 7160 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,2,0,0,0,0|1,0,1]=4 7161 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,2,0,0,0,0|1,0,1]=4 7162 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,2,0,0,0,0|1,0,1]=4 7163 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,2,0,0,0,0|1,0,1]=4 7164 B10R0.44 CCC(C)CC(C)NC(C)C 2230a_100000763565_100000210206 [0,2,0,0,0,0|2,0,0]=4 7165 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000747067_100000748023 [0,2,0,0,0,0|2,0,0]=4 7166 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000753921_100000210760 [0,2,0,0,0,0|2,0,0]=4 7167 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000747067_100000748023 [0,2,0,0,0,0|2,0,0]=4 7168 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000753921_100000210624 [0,2,0,0,0,0|2,0,0]=4 7169 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000747067_100000243153 [0,2,0,0,0,0|2,0,0]=4 7170 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000753921_100000210432 [0,2,0,0,0,0|2,0,0]=4 7171 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000227577_100000748023 [0,2,0,0,0,0|2,0,0]=4 7172 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000753921_100011218427 [0,2,0,0,0,0|2,0,0]=4 7173 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000227577_100000748023 [0,2,0,0,0,0|2,0,0]=4 7174 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000753921_100011218427 [0,2,0,0,0,0|2,0,0]=4 7175 B10R0.44 CCC(C)CN(C)CC(C)O 270004a_100000227577_100000243153 [0,2,0,0,0,0|2,0,0]=4 7176 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 2230a_100000753921_100009817552 [0,2,0,0,0,0|2,0,0]=4 7177 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 269982a_100000753921_100009817552 [0,2,0,0,0,0|2,0,0]=4 7178 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000209981_100000731052 [0,2,0,0,0,0|2,0,0]=4 7179 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000692259_100000758301 [0,2,0,0,0,0|2,0,0]=4 7180 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [0,2,0,0,0,0|2,0,0]=4 7181 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [0,2,0,0,0,0|2,0,0]=4 7182 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [0,2,0,0,0,0|2,0,0]=4 7183 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000731052_100000758301 [0,2,0,0,0,0|2,0,0]=4 7184 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000758301_100000731052 [0,2,0,0,0,0|2,0,0]=4 7185 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,2,0,0,0,0|0,0,1]=3 7186 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,2,0,0,0,0|0,0,1]=3 7187 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,2,0,0,0,0|0,0,1]=3 7188 B10R0.44 CCC(O)CC(=O)CC(F)F 1458a_100011667805_100011934356 [0,2,0,0,0,0|1,0,1]=4 7189 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [0,2,0,0,0,0|1,0,1]=4 7190 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,2,0,0,0,0|0,0,1]=3 7191 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [0,2,0,0,0,0|1,0,1]=4 7192 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,2,0,0,0,0|1,0,1]=4 7193 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,2,0,0,0,0|1,0,1]=4 7194 B10R0.44 CCC(O)CN(C)CC(C)C 2230a_100000747067_100011218378 [0,2,0,0,0,0|1,0,0]=3 7195 B10R0.44 CCC(O)CN(C)CC(C)C 269982a_100000747067_100011218378 [0,2,0,0,0,0|1,0,0]=3 7196 B10R0.44 CCC(O)CN(C)CC(C)O 2230a_100000227577_100011218378 [0,2,0,0,0,0|1,0,0]=3 7197 B10R0.44 CCC(O)CN(C)CC(C)O 269982a_100000227577_100011218378 [0,2,0,0,0,0|1,0,0]=3 7198 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,2,0,0,0,0|1,0,1]=4 7199 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,2,0,0,0,0|1,0,1]=4 7200 B10R0.44 CC[C@H](C)CN(C)CC(C)C 2230a_100000747067_100009816398 [0,2,0,0,0,0|2,0,0]=4 7201 B10R0.44 CC[C@H](C)CN(C)CC(C)C 269982a_100000747067_100009816398 [0,2,0,0,0,0|2,0,0]=4 7202 B10R0.44 CC[C@H](C)CN(C)CC(C)O 2230a_100000227577_100009816398 [0,2,0,0,0,0|2,0,0]=4 7203 B10R0.44 CC[C@H](C)CN(C)CC(C)O 269982a_100000227577_100009816398 [0,2,0,0,0,0|2,0,0]=4 7204 B10R0.44 C[C@@H](O)CN(C)CC(O)CO 2230a_100011216503_100009817552 [0,2,0,0,0,0|2,0,0]=4 7205 B10R0.44 C[C@@H](O)CN(C)CC(O)CO 269982a_100011216503_100009817552 [0,2,0,0,0,0|2,0,0]=4 7206 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,2,0,0,0,0|0,0,2]=4 7207 B10R0.57 CC(C)CCC(=O)C(O)CO 1458a_100011215603_100000210312 [0,2,0,0,0,0|1,0,1]=4 7208 B10R0.57 CC(O)CCC(=O)C(O)CO 1458a_100011215603_100012276601 [0,2,0,0,0,0|1,0,1]=4 7209 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|0,0,2]=4 7210 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,2,0,0,0,0|1,0,1]=4 7211 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,2,0,0,0,0|1,0,1]=4 7212 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,2,0,0,0,0|1,0,1]=4 7213 B10R0.57 CCC(C)C(C)NCC(C)C 269862a_100000210953_100000210599 [0,2,0,0,0,0|2,0,0]=4 7214 B10R0.57 CCC(C)C(C)NCC(C)C 270004a_100000210953_100000210599 [0,2,0,0,0,0|2,0,0]=4 7215 B10R0.57 CCC(C)C(C)NCC(C)O 269862a_100000210904_100000210599 [0,2,0,0,0,0|2,0,0]=4 7216 B10R0.57 CCC(C)C(C)NCC(C)O 270004a_100000210904_100000210599 [0,2,0,0,0,0|2,0,0]=4 7217 B10R0.57 CCC(C)C(C)OCC(C)C 7a_100011215189_100000210760 [0,2,0,0,0,0|2,0,0]=4 7218 B10R0.57 CCC(C)C(C)OCC(C)O 7a_100011215189_100011218427 [0,2,0,0,0,0|2,0,0]=4 7219 B10R0.57 CCC(C)C(C)OC[C@@H](C)O 7a_100011215189_100009817552 [0,2,0,0,0,0|2,0,0]=4 7220 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000741768_100000210312 [0,2,0,0,0,0|2,0,0]=4 7221 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000742789_100000758301 [0,2,0,0,0,0|2,0,0]=4 7222 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000741768_100000210312 [0,2,0,0,0,0|2,0,0]=4 7223 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000742789_100000758301 [0,2,0,0,0,0|2,0,0]=4 7224 B10R0.57 CCC(C)N(C)CCC(C)O 2230a_100000741768_100012276601 [0,2,0,0,0,0|2,0,0]=4 7225 B10R0.57 CCC(C)N(C)CCC(C)O 269982a_100000741768_100012276601 [0,2,0,0,0,0|2,0,0]=4 7226 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,2,0,0,0,0|0,0,1]=3 7227 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,2,0,0,0,0|0,0,1]=3 7228 B10R0.57 CCC(O)C(=O)NCC(C)C 240690a_100000210953_100011196387 [0,2,0,0,0,0|1,0,1]=4 7229 B10R0.57 CCC(O)C(=O)NCC(C)O 240690a_100000210904_100011196387 [0,2,0,0,0,0|1,0,1]=4 7230 B10R0.57 CCN(C)C(C)CCC(C)C 2230a_100000225621_100011261404 [0,2,0,0,0,0|2,0,0]=4 7231 B10R0.57 CCN(C)C(C)CCC(C)C 269982a_100000225621_100011261404 [0,2,0,0,0,0|2,0,0]=4 7232 B10R0.59 C=CC(C)COCC(C)CC 34a_100011215527_100000748023 [0,2,0,0,0,0|2,0,0]=4 7233 B10R0.59 C=CC(C)COCC(C)CC 7a_100011215527_100000748023 [0,2,0,0,0,0|2,0,0]=4 7234 B10R0.59 C=CC(C)COCC(O)CC 34a_100011215527_100011218378 [0,2,0,0,0,0|1,0,0]=3 7235 B10R0.59 C=CC(C)COCC(O)CC 7a_100011215527_100011218378 [0,2,0,0,0,0|1,0,0]=3 7236 B10R0.59 C=CC(C)COCC(O)CO 34a_100011215527_100011219619 [0,2,0,0,0,0|2,0,0]=4 7237 B10R0.59 C=CC(C)COCC(O)CO 7a_100011215527_100011219619 [0,2,0,0,0,0|2,0,0]=4 7238 B10R0.59 C=CC(C)COC[C@@H](C)CC 34a_100011215527_100009816398 [0,2,0,0,0,0|2,0,0]=4 7239 B10R0.59 C=CC(C)COC[C@@H](C)CC 7a_100011215527_100009816398 [0,2,0,0,0,0|2,0,0]=4 7240 B10R0.59 C=CC(C)COC[C@@H](O)CF 34a_100011215527_100015614560 [0,2,0,0,0,0|2,0,0]=4 7241 B10R0.59 C=CC(C)COC[C@@H](O)CF 7a_100011215527_100015614560 [0,2,0,0,0,0|2,0,0]=4 7242 B10R0.59 C=CC(C)COC[C@@H](O)CO 34a_100011215527_100009815848 [0,2,0,0,0,0|2,0,0]=4 7243 B10R0.59 C=CC(C)COC[C@@H](O)CO 7a_100011215527_100009815848 [0,2,0,0,0,0|2,0,0]=4 7244 B10R0.59 C=CC(O)CNCC(C)CC 2230a_100020588543_100000730141 [0,2,0,0,0,0|0,0,2]=4 7245 B10R0.59 C=CC(O)CNCC(O)CC 2230a_100011218483_100000730141 [0,2,0,0,0,0|0,0,2]=4 7246 B10R0.59 C=CC(O)COC[C@@H](C)CC 7a_100009816381_100000730141 [0,2,0,0,0,0|0,0,2]=4 7247 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000730141_100000748023 [0,2,0,0,0,0|0,0,2]=4 7248 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000748023_100000730141 [0,2,0,0,0,0|0,0,2]=4 7249 B10R0.59 C=CC(O)CSCC(O)CC 62a_100000730141_100011218378 [0,2,0,0,0,0|0,0,2]=4 7250 B10R0.59 C=CC(O)CSCC(O)CC 62a_100011218378_100000730141 [0,2,0,0,0,0|0,0,2]=4 7251 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100000730141_100009816398 [0,2,0,0,0,0|0,0,2]=4 7252 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100009816398_100000730141 [0,2,0,0,0,0|0,0,2]=4 7253 B10R0.59 C=C[C@H](N)COCC(O)CC 34a_100016989147_100011218378 [0,2,0,0,0,0|0,0,2]=4 7254 B10R0.59 CC(CN)COCC(O)CO 34a_100000744482_100011219619 [0,2,0,0,0,0|2,0,0]=4 7255 B10R0.59 CC(CN)COC[C@@H](O)CF 34a_100000744482_100015614560 [0,2,0,0,0,0|2,0,0]=4 7256 B10R0.59 CC(CN)COC[C@@H](O)CO 34a_100000744482_100009815848 [0,2,0,0,0,0|2,0,0]=4 7257 B10R0.59 CC(CO)CNCC(O)CO 34a_100000744482_100011219619 [0,2,0,0,0,0|2,0,0]=4 7258 B10R0.59 CC(CO)CNC[C@@H](O)CF 34a_100000744482_100015614560 [0,2,0,0,0,0|2,0,0]=4 7259 B10R0.59 CC(CO)CNC[C@@H](O)CO 34a_100000744482_100009815848 [0,2,0,0,0,0|2,0,0]=4 7260 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,2,0,0,0,0|0,0,2]=4 7261 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,2,0,0,0,0|0,0,2]=4 7262 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,2,0,0,0,0|0,0,1]=3 7263 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [0,2,0,0,0,0|1,0,1]=4 7264 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,2,0,0,0,0|0,0,2]=4 7265 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,2,0,0,0,0|0,0,2]=4 7266 B10R0.59 CCC(=O)COC[C@@H](O)CF 34a_100000725409_100015614560 [0,2,0,0,0,0|1,0,1]=4 7267 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [0,2,0,0,0,0|1,0,1]=4 7268 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,2,0,0,0,0|0,0,2]=4 7269 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,2,0,0,0,0|0,0,2]=4 7270 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,2,0,0,0,0|0,0,1]=3 7271 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,2,0,0,0,0|0,0,1]=3 7272 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [0,2,0,0,0,0|1,0,1]=4 7273 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [0,2,0,0,0,0|1,0,1]=4 7274 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,2,0,0,0,0|0,0,2]=4 7275 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,2,0,0,0,0|0,0,2]=4 7276 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100000747405_100015614560 [0,2,0,0,0,0|1,0,1]=4 7277 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747405 [0,2,0,0,0,0|1,0,1]=4 7278 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [0,2,0,0,0,0|1,0,1]=4 7279 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [0,2,0,0,0,0|1,0,1]=4 7280 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|0,0,2]=4 7281 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|0,0,2]=4 7282 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|0,0,2]=4 7283 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|0,0,2]=4 7284 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [0,2,0,0,0,0|1,0,1]=4 7285 B10R0.59 CCC(C)CCNC(C)C#N 2230a_100020591266_100000184139 [0,2,0,0,0,0|2,0,0]=4 7286 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [0,2,0,0,0,0|1,0,0]=3 7287 B10R0.59 CCC(C)CCNC(C)CO 2230a_100020591266_100012180447 [0,2,0,0,0,0|2,0,0]=4 7288 B10R0.59 CCC(C)CCOC(C)C#N 7a_100011215188_100000703298 [0,2,0,0,0,0|2,0,0]=4 7289 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [0,2,0,0,0,0|1,0,0]=3 7290 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [0,2,0,0,0,0|2,0,0]=4 7291 B10R0.59 CCC(C)CNCC(C)CC 2230a_100020588543_100000748023 [0,2,0,0,0,0|1,0,0]=3 7292 B10R0.59 CCC(C)CNCC(C)CC 270004a_100020588543_100000243153 [0,2,0,0,0,0|1,0,0]=3 7293 B10R0.59 CCC(C)CNCC(C)CO 34a_100000744482_100000748023 [0,2,0,0,0,0|2,0,0]=4 7294 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [0,2,0,0,0,0|0,0,0]=2 7295 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [0,2,0,0,0,0|0,0,0]=2 7296 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [0,2,0,0,0,0|0,0,0]=2 7297 B10R0.59 CCC(C)CNCC(O)CO 2230a_100020588543_100011219619 [0,2,0,0,0,0|1,0,0]=3 7298 B10R0.59 CCC(C)CNC[C@@H](C)CC 2230a_100020588543_100009816398 [0,2,0,0,0,0|1,0,0]=3 7299 B10R0.59 CCC(C)CNC[C@@H](C)CO 2230a_100020588543_100000059175 [0,2,0,0,0,0|2,0,0]=4 7300 B10R0.59 CCC(C)CNC[C@@H](C)OC 2230a_100020591295_100000748023 [0,2,0,0,0,0|2,0,0]=4 7301 B10R0.59 CCC(C)CNC[C@@H](C)OC 270004a_100020591295_100000243153 [0,2,0,0,0,0|2,0,0]=4 7302 B10R0.59 CCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243153 [0,2,0,0,0,0|2,0,0]=4 7303 B10R0.59 CCC(C)CNC[C@@H](F)CO 34a_100015665980_100000748023 [0,2,0,0,0,0|2,0,0]=4 7304 B10R0.59 CCC(C)CNC[C@@H](O)CF 2230a_100020588543_100015614560 [0,2,0,0,0,0|1,0,0]=3 7305 B10R0.59 CCC(C)CNC[C@@H](O)CO 2230a_100020588543_100009815848 [0,2,0,0,0,0|1,0,0]=3 7306 B10R0.59 CCC(C)CNC[C@H](O)CO 2230a_100020644852_100000748023 [0,2,0,0,0,0|1,0,0]=3 7307 B10R0.59 CCC(C)COCC(C)CN 34a_100000744482_100000748023 [0,2,0,0,0,0|2,0,0]=4 7308 B10R0.59 CCC(C)COCC(C)OC 34a_100000690652_100000748023 [0,2,0,0,0,0|2,0,0]=4 7309 B10R0.59 CCC(C)COCC(Cl)CCl 34a_100000033668_100000748023 [0,2,0,0,0,0|2,0,0]=4 7310 B10R0.59 CCC(C)COC[C@@H](C)CC 7a_100009816381_100000748023 [0,2,0,0,0,0|1,0,0]=3 7311 B10R0.59 CCC(C)COC[C@H](F)CN 34a_100015665980_100000748023 [0,2,0,0,0,0|2,0,0]=4 7312 B10R0.59 CCC(C)CSCC(C)CC 62a_100000748023_100000748023 [0,2,0,0,0,0|1,0,0]=3 7313 B10R0.59 CCC(C)CSCC(O)CC 62a_100000748023_100011218378 [0,2,0,0,0,0|0,0,0]=2 7314 B10R0.59 CCC(C)CSCC(O)CC 62a_100011218378_100000748023 [0,2,0,0,0,0|0,0,0]=2 7315 B10R0.59 CCC(C)CSCC(O)CO 62a_100000748023_100011219619 [0,2,0,0,0,0|1,0,0]=3 7316 B10R0.59 CCC(C)CSCC(O)CO 62a_100011219619_100000748023 [0,2,0,0,0,0|1,0,0]=3 7317 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100000748023_100009816398 [0,2,0,0,0,0|1,0,0]=3 7318 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100009816398_100000748023 [0,2,0,0,0,0|1,0,0]=3 7319 B10R0.59 CCC(C)CSC[C@@H](C)CO 62a_100000059175_100000748023 [0,2,0,0,0,0|2,0,0]=4 7320 B10R0.59 CCC(C)CSC[C@@H](C)CO 62a_100000748023_100000059175 [0,2,0,0,0,0|2,0,0]=4 7321 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100000748023_100015614560 [0,2,0,0,0,0|1,0,0]=3 7322 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100015614560_100000748023 [0,2,0,0,0,0|1,0,0]=3 7323 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100000748023_100009815848 [0,2,0,0,0,0|1,0,0]=3 7324 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100009815848_100000748023 [0,2,0,0,0,0|1,0,0]=3 7325 B10R0.59 CCC(C)NCCC(C)CO 2230a_106354213184_100000758301 [0,2,0,0,0,0|2,0,0]=4 7326 B10R0.59 CCC(C)NCCC(C)CO 34a_106354213184_100011215416 [0,2,0,0,0,0|2,0,0]=4 7327 B10R0.59 CCC(C)OCCC(C)OC 7a_100000764861_100000758301 [0,2,0,0,0,0|2,0,0]=4 7328 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [0,2,0,0,0,0|1,0,1]=4 7329 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [0,2,0,0,0,0|1,0,1]=4 7330 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|1,0,1]=4 7331 B10R0.59 CCC(O)CNCC(C)CO 34a_100000744482_100011218378 [0,2,0,0,0,0|1,0,0]=3 7332 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [0,2,0,0,0,0|0,0,0]=2 7333 B10R0.59 CCC(O)CNCC(O)CO 2230a_100011218483_100011219619 [0,2,0,0,0,0|1,0,0]=3 7334 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [0,2,0,0,0,0|0,0,0]=2 7335 B10R0.59 CCC(O)CNC[C@@H](C)CO 2230a_100011218483_100000059175 [0,2,0,0,0,0|1,0,0]=3 7336 B10R0.59 CCC(O)CNC[C@@H](C)OC 2230a_100020591295_100011218378 [0,2,0,0,0,0|1,0,0]=3 7337 B10R0.59 CCC(O)CNC[C@@H](F)CO 34a_100015665980_100011218378 [0,2,0,0,0,0|1,0,0]=3 7338 B10R0.59 CCC(O)CNC[C@@H](O)CF 2230a_100011218483_100015614560 [0,2,0,0,0,0|1,0,0]=3 7339 B10R0.59 CCC(O)CNC[C@@H](O)CO 2230a_100011218483_100009815848 [0,2,0,0,0,0|1,0,0]=3 7340 B10R0.59 CCC(O)CNC[C@H](O)CO 2230a_100020644852_100011218378 [0,2,0,0,0,0|1,0,0]=3 7341 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [0,2,0,0,0,0|1,0,1]=4 7342 B10R0.59 CCC(O)COCC(C)CN 34a_100000744482_100011218378 [0,2,0,0,0,0|1,0,0]=3 7343 B10R0.59 CCC(O)COCC(C)OC 34a_100000690652_100011218378 [0,2,0,0,0,0|1,0,0]=3 7344 B10R0.59 CCC(O)COCC(Cl)CCl 34a_100000033668_100011218378 [0,2,0,0,0,0|1,0,0]=3 7345 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [0,2,0,0,0,0|0,0,0]=2 7346 B10R0.59 CCC(O)COC[C@H](F)CN 34a_100015665980_100011218378 [0,2,0,0,0,0|1,0,0]=3 7347 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [0,2,0,0,0,0|1,0,1]=4 7348 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [0,2,0,0,0,0|1,0,1]=4 7349 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|1,0,1]=4 7350 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|1,0,1]=4 7351 B10R0.59 CCC(O)CSCC(O)CC 62a_100011218378_100011218378 [0,2,0,0,0,0|0,0,0]=2 7352 B10R0.59 CCC(O)CSCC(O)CO 62a_100011218378_100011219619 [0,2,0,0,0,0|1,0,0]=3 7353 B10R0.59 CCC(O)CSCC(O)CO 62a_100011219619_100011218378 [0,2,0,0,0,0|1,0,0]=3 7354 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100009816398_100011218378 [0,2,0,0,0,0|0,0,0]=2 7355 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100011218378_100009816398 [0,2,0,0,0,0|0,0,0]=2 7356 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100000059175_100011218378 [0,2,0,0,0,0|1,0,0]=3 7357 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100011218378_100000059175 [0,2,0,0,0,0|1,0,0]=3 7358 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100011218378_100015614560 [0,2,0,0,0,0|1,0,0]=3 7359 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100015614560_100011218378 [0,2,0,0,0,0|1,0,0]=3 7360 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100009815848_100011218378 [0,2,0,0,0,0|1,0,0]=3 7361 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100011218378_100009815848 [0,2,0,0,0,0|1,0,0]=3 7362 B10R0.59 CCN(C)CCCN(C)CC 2230a_100000225621_100015186262 [0,2,0,0,0,0|2,0,0]=4 7363 B10R0.59 CCN(C)CCCN(C)CC 269982a_100000225621_100015186262 [0,2,0,0,0,0|2,0,0]=4 7364 B10R0.59 CC[C@H](C)CNCC(C)CO 34a_100000744482_100009816398 [0,2,0,0,0,0|2,0,0]=4 7365 B10R0.59 CC[C@H](C)CNC[C@@H](C)OC 2230a_100020591295_100009816398 [0,2,0,0,0,0|2,0,0]=4 7366 B10R0.59 CC[C@H](C)CNC[C@@H](F)CO 34a_100015665980_100009816398 [0,2,0,0,0,0|2,0,0]=4 7367 B10R0.59 CC[C@H](C)CNC[C@H](O)CO 2230a_100020644852_100009816398 [0,2,0,0,0,0|1,0,0]=3 7368 B10R0.59 CC[C@H](C)COCC(C)CN 34a_100000744482_100009816398 [0,2,0,0,0,0|2,0,0]=4 7369 B10R0.59 CC[C@H](C)COCC(C)OC 34a_100000690652_100009816398 [0,2,0,0,0,0|2,0,0]=4 7370 B10R0.59 CC[C@H](C)COCC(Cl)CCl 34a_100000033668_100009816398 [0,2,0,0,0,0|2,0,0]=4 7371 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [0,2,0,0,0,0|1,0,0]=3 7372 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 7a_100009816381_100009816398 [0,2,0,0,0,0|1,0,0]=3 7373 B10R0.59 CC[C@H](C)COC[C@@H](C)CO 7a_100009816381_100000059175 [0,2,0,0,0,0|2,0,0]=4 7374 B10R0.59 CC[C@H](C)COC[C@@H](O)CF 7a_100009816381_100015614560 [0,2,0,0,0,0|1,0,0]=3 7375 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [0,2,0,0,0,0|1,0,0]=3 7376 B10R0.59 CC[C@H](C)COC[C@H](F)CN 34a_100015665980_100009816398 [0,2,0,0,0,0|2,0,0]=4 7377 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100009816398_100011219619 [0,2,0,0,0,0|1,0,0]=3 7378 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100011219619_100009816398 [0,2,0,0,0,0|1,0,0]=3 7379 B10R0.59 CC[C@H](C)CSC[C@@H](C)CC 62a_100009816398_100009816398 [0,2,0,0,0,0|1,0,0]=3 7380 B10R0.59 CC[C@H](C)CSC[C@@H](C)CO 62a_100000059175_100009816398 [0,2,0,0,0,0|2,0,0]=4 7381 B10R0.59 CC[C@H](C)CSC[C@@H](C)CO 62a_100009816398_100000059175 [0,2,0,0,0,0|2,0,0]=4 7382 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100009816398_100015614560 [0,2,0,0,0,0|1,0,0]=3 7383 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100015614560_100009816398 [0,2,0,0,0,0|1,0,0]=3 7384 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009815848_100009816398 [0,2,0,0,0,0|1,0,0]=3 7385 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009816398_100009815848 [0,2,0,0,0,0|1,0,0]=3 7386 B10R0.59 COC(C)COCC(O)CO 34a_100000690652_100011219619 [0,2,0,0,0,0|2,0,0]=4 7387 B10R0.59 COC(C)COC[C@@H](O)CF 34a_100000690652_100015614560 [0,2,0,0,0,0|2,0,0]=4 7388 B10R0.59 COC(C)COC[C@@H](O)CO 34a_100000690652_100009815848 [0,2,0,0,0,0|2,0,0]=4 7389 B10R0.59 CO[C@H](C)CNCC(O)CO 2230a_100020591295_100011219619 [0,2,0,0,0,0|2,0,0]=4 7390 B10R0.59 CO[C@H](C)CNC[C@@H](O)CF 2230a_100020591295_100015614560 [0,2,0,0,0,0|2,0,0]=4 7391 B10R0.59 CO[C@H](C)CNC[C@@H](O)CO 2230a_100020591295_100009815848 [0,2,0,0,0,0|2,0,0]=4 7392 B10R0.59 C[C@@H](CO)CNC[C@H](O)CO 2230a_100020644852_100000059175 [0,2,0,0,0,0|2,0,0]=4 7393 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100000059175_100011219619 [0,2,0,0,0,0|2,0,0]=4 7394 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100011219619_100000059175 [0,2,0,0,0,0|2,0,0]=4 7395 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100000059175_100015614560 [0,2,0,0,0,0|2,0,0]=4 7396 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100015614560_100000059175 [0,2,0,0,0,0|2,0,0]=4 7397 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100000059175_100009815848 [0,2,0,0,0,0|2,0,0]=4 7398 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100009815848_100000059175 [0,2,0,0,0,0|2,0,0]=4 7399 B10R0.59 NC[C@@H](F)COCC(O)CO 34a_100015665980_100011219619 [0,2,0,0,0,0|2,0,0]=4 7400 B10R0.59 NC[C@@H](F)COC[C@@H](O)CF 34a_100015665980_100015614560 [0,2,0,0,0,0|2,0,0]=4 7401 B10R0.59 NC[C@@H](F)COC[C@@H](O)CO 34a_100015665980_100009815848 [0,2,0,0,0,0|2,0,0]=4 7402 B10R0.59 OCC(O)CNC[C@@H](F)CO 34a_100015665980_100011219619 [0,2,0,0,0,0|2,0,0]=4 7403 B10R0.59 OCC(O)CNC[C@H](O)CO 2230a_100020644852_100011219619 [0,2,0,0,0,0|2,0,0]=4 7404 B10R0.59 OCC(O)COCC(Cl)CCl 34a_100000033668_100011219619 [0,2,0,0,0,0|2,0,0]=4 7405 B10R0.59 OCC(O)CSCC(O)CO 62a_100011219619_100011219619 [0,2,0,0,0,0|2,0,0]=4 7406 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100011219619_100015614560 [0,2,0,0,0,0|2,0,0]=4 7407 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100015614560_100011219619 [0,2,0,0,0,0|2,0,0]=4 7408 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100009815848_100011219619 [0,2,0,0,0,0|2,0,0]=4 7409 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100011219619_100009815848 [0,2,0,0,0,0|2,0,0]=4 7410 B10R0.59 OC[C@@H](O)CNC[C@@H](O)CF 2230a_100020644852_100015614560 [0,2,0,0,0,0|2,0,0]=4 7411 B10R0.59 OC[C@@H](O)CNC[C@@H](O)CO 2230a_100020644852_100009815848 [0,2,0,0,0,0|2,0,0]=4 7412 B10R0.59 OC[C@H](F)CNC[C@@H](O)CF 34a_100015665980_100015614560 [0,2,0,0,0,0|2,0,0]=4 7413 B10R0.59 OC[C@H](O)CNC[C@@H](F)CO 34a_100015665980_100009815848 [0,2,0,0,0,0|2,0,0]=4 7414 B10R0.59 OC[C@H](O)COCC(Cl)CCl 34a_100000033668_100009815848 [0,2,0,0,0,0|2,0,0]=4 7415 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100009815848_100015614560 [0,2,0,0,0,0|2,0,0]=4 7416 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100015614560_100009815848 [0,2,0,0,0,0|2,0,0]=4 7417 B10R0.59 OC[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100009815848 [0,2,0,0,0,0|2,0,0]=4 7418 B10R0.59 O[C@@H](CF)COCC(Cl)CCl 34a_100000033668_100015614560 [0,2,0,0,0,0|2,0,0]=4 7419 B10R0.59 O[C@@H](CF)CSC[C@@H](O)CF 62a_100015614560_100015614560 [0,2,0,0,0,0|2,0,0]=4 7420 B10R0.60 CC(C)(C)CNCC(O)CO 2230a_100000743828_100011219619 [0,2,0,0,0,0|2,0,0]=4 7421 B10R0.60 CC(C)(C)CNC[C@@H](O)CF 2230a_100000743828_100015614560 [0,2,0,0,0,0|2,0,0]=4 7422 B10R0.60 CC(C)(C)CNC[C@@H](O)CO 2230a_100000743828_100009815848 [0,2,0,0,0,0|2,0,0]=4 7423 B10R0.60 CC(C)(C)CSCC(O)CO 62a_100011219605_100011219619 [0,2,0,0,0,0|2,0,0]=4 7424 B10R0.60 CC(C)(C)CSCC(O)CO 62a_100011219619_100011219605 [0,2,0,0,0,0|2,0,0]=4 7425 B10R0.60 CC(C)(C)CSC[C@@H](O)CF 62a_100011219605_100015614560 [0,2,0,0,0,0|2,0,0]=4 7426 B10R0.60 CC(C)(C)CSC[C@@H](O)CF 62a_100015614560_100011219605 [0,2,0,0,0,0|2,0,0]=4 7427 B10R0.60 CC(C)(C)CSC[C@@H](O)CO 62a_100009815848_100011219605 [0,2,0,0,0,0|2,0,0]=4 7428 B10R0.60 CC(C)(C)CSC[C@@H](O)CO 62a_100011219605_100009815848 [0,2,0,0,0,0|2,0,0]=4 7429 B10R0.60 CC(C)(F)CNCC(O)CO 2230a_100020643315_100011219619 [0,2,0,0,0,0|2,0,0]=4 7430 B10R0.60 CC(C)(F)CNC[C@@H](O)CF 2230a_100020643315_100015614560 [0,2,0,0,0,0|2,0,0]=4 7431 B10R0.60 CC(C)(F)CNC[C@@H](O)CO 2230a_100020643315_100009815848 [0,2,0,0,0,0|2,0,0]=4 7432 B10R0.60 CC(C)(F)COCC(O)CO 34a_100000716592_100011219619 [0,2,0,0,0,0|2,0,0]=4 7433 B10R0.60 CC(C)(F)COC[C@@H](O)CF 34a_100000716592_100015614560 [0,2,0,0,0,0|2,0,0]=4 7434 B10R0.60 CC(C)(F)COC[C@@H](O)CO 34a_100000716592_100009815848 [0,2,0,0,0,0|2,0,0]=4 7435 B10R0.60 CC(C)(F)CSCC(O)CO 62a_100011219619_100011997219 [0,2,0,0,0,0|2,0,0]=4 7436 B10R0.60 CC(C)(F)CSCC(O)CO 62a_100011997219_100011219619 [0,2,0,0,0,0|2,0,0]=4 7437 B10R0.60 CC(C)(F)CSC[C@@H](O)CF 62a_100011997219_100015614560 [0,2,0,0,0,0|2,0,0]=4 7438 B10R0.60 CC(C)(F)CSC[C@@H](O)CF 62a_100015614560_100011997219 [0,2,0,0,0,0|2,0,0]=4 7439 B10R0.60 CC(C)(F)CSC[C@@H](O)CO 62a_100009815848_100011997219 [0,2,0,0,0,0|2,0,0]=4 7440 B10R0.60 CC(C)(F)CSC[C@@H](O)CO 62a_100011997219_100009815848 [0,2,0,0,0,0|2,0,0]=4 7441 B10R0.60 CC(C)(O)CNCC(O)CO 2230a_100000751335_100011219619 [0,2,0,0,0,0|2,0,0]=4 7442 B10R0.60 CC(C)(O)CNC[C@@H](O)CF 2230a_100000751335_100015614560 [0,2,0,0,0,0|2,0,0]=4 7443 B10R0.60 CC(C)(O)CNC[C@@H](O)CO 2230a_100000751335_100009815848 [0,2,0,0,0,0|2,0,0]=4 7444 B10R0.60 CC(C)(O)CSCC(O)CO 62a_100000764493_100011219619 [0,2,0,0,0,0|2,0,0]=4 7445 B10R0.60 CC(C)(O)CSCC(O)CO 62a_100011219619_100000764493 [0,2,0,0,0,0|2,0,0]=4 7446 B10R0.60 CC(C)(O)CSC[C@@H](O)CF 62a_100000764493_100015614560 [0,2,0,0,0,0|2,0,0]=4 7447 B10R0.60 CC(C)(O)CSC[C@@H](O)CF 62a_100015614560_100000764493 [0,2,0,0,0,0|2,0,0]=4 7448 B10R0.60 CC(C)(O)CSC[C@@H](O)CO 62a_100000764493_100009815848 [0,2,0,0,0,0|2,0,0]=4 7449 B10R0.60 CC(C)(O)CSC[C@@H](O)CO 62a_100009815848_100000764493 [0,2,0,0,0,0|2,0,0]=4 7450 B10R0.60 CC(F)(F)COCC(O)CO 34a_100000068830_100011219619 [0,2,0,0,0,0|2,0,0]=4 7451 B10R0.60 CC(F)(F)COC[C@@H](O)CF 34a_100000068830_100015614560 [0,2,0,0,0,0|2,0,0]=4 7452 B10R0.60 CC(F)(F)COC[C@@H](O)CO 34a_100000068830_100009815848 [0,2,0,0,0,0|2,0,0]=4 7453 B10R0.60 CCC(C)CNCC(C)(C)C 2230a_100000743828_100000748023 [0,2,0,0,0,0|2,0,0]=4 7454 B10R0.60 CCC(C)CNCC(C)(C)C 270004a_100000743828_100000243153 [0,2,0,0,0,0|2,0,0]=4 7455 B10R0.60 CCC(C)CNCC(C)(C)C 270004a_100020588543_100011204126 [0,2,0,0,0,0|2,0,0]=4 7456 B10R0.60 CCC(C)CNCC(C)(C)F 2230a_100020643315_100000748023 [0,2,0,0,0,0|2,0,0]=4 7457 B10R0.60 CCC(C)CNCC(C)(C)F 270004a_100020643315_100000243153 [0,2,0,0,0,0|2,0,0]=4 7458 B10R0.60 CCC(C)CNCC(C)(C)O 2230a_100000751335_100000748023 [0,2,0,0,0,0|2,0,0]=4 7459 B10R0.60 CCC(C)CNCC(C)(C)O 270004a_100000751335_100000243153 [0,2,0,0,0,0|2,0,0]=4 7460 B10R0.60 CCC(C)CNCC(C)(F)F 270004a_100000731000_100000243153 [0,2,0,0,0,0|2,0,0]=4 7461 B10R0.60 CCC(C)COCC(C)(C)F 34a_100000716592_100000748023 [0,2,0,0,0,0|2,0,0]=4 7462 B10R0.60 CCC(C)COCC(C)(F)F 34a_100000068830_100000748023 [0,2,0,0,0,0|2,0,0]=4 7463 B10R0.60 CCC(C)CSCC(C)(C)C 62a_100000748023_100011219605 [0,2,0,0,0,0|2,0,0]=4 7464 B10R0.60 CCC(C)CSCC(C)(C)C 62a_100011219605_100000748023 [0,2,0,0,0,0|2,0,0]=4 7465 B10R0.60 CCC(C)CSCC(C)(C)F 62a_100000748023_100011997219 [0,2,0,0,0,0|2,0,0]=4 7466 B10R0.60 CCC(C)CSCC(C)(C)F 62a_100011997219_100000748023 [0,2,0,0,0,0|2,0,0]=4 7467 B10R0.60 CCC(C)CSCC(C)(C)O 62a_100000748023_100000764493 [0,2,0,0,0,0|2,0,0]=4 7468 B10R0.60 CCC(C)CSCC(C)(C)O 62a_100000764493_100000748023 [0,2,0,0,0,0|2,0,0]=4 7469 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000209981_100000755188 [0,2,0,0,0,0|2,0,0]=4 7470 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000738805_100000758301 [0,2,0,0,0,0|2,0,0]=4 7471 B10R0.60 CCC(C)NCCC(C)(C)F 2230a_100016253952_100000758301 [0,2,0,0,0,0|2,0,0]=4 7472 B10R0.60 CCC(C)NCCC(C)(C)O 2230a_100000209981_100000702414 [0,2,0,0,0,0|2,0,0]=4 7473 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000210228_100000755188 [0,2,0,0,0,0|2,0,0]=4 7474 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000765024_100000758301 [0,2,0,0,0,0|2,0,0]=4 7475 B10R0.60 CCC(C)OCCC(C)(C)O 7a_100000210228_100000702414 [0,2,0,0,0,0|2,0,0]=4 7476 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000755188_100000758301 [0,2,0,0,0,0|2,0,0]=4 7477 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000758301_100000755188 [0,2,0,0,0,0|2,0,0]=4 7478 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000702414_100000758301 [0,2,0,0,0,0|2,0,0]=4 7479 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000758301_100000702414 [0,2,0,0,0,0|2,0,0]=4 7480 B10R0.60 CCC(O)CNCC(C)(C)C 2230a_100000743828_100011218378 [0,2,0,0,0,0|1,0,0]=3 7481 B10R0.60 CCC(O)CNCC(C)(C)C 270004a_100011218483_100011204126 [0,2,0,0,0,0|1,0,0]=3 7482 B10R0.60 CCC(O)CNCC(C)(C)F 2230a_100020643315_100011218378 [0,2,0,0,0,0|1,0,0]=3 7483 B10R0.60 CCC(O)CNCC(C)(C)O 2230a_100000751335_100011218378 [0,2,0,0,0,0|1,0,0]=3 7484 B10R0.60 CCC(O)CNCC(F)(F)F 2230a_100011218483_100000763148 [0,2,0,0,0,0|2,0,0]=4 7485 B10R0.60 CCC(O)CNCC(F)(F)F 34a_100000717047_100011218378 [0,2,0,0,0,0|2,0,0]=4 7486 B10R0.60 CCC(O)CNC[Si](C)(C)C 2230a_100011218483_100000037933 [0,2,0,0,0,0|1,1,0]=4 7487 B10R0.60 CCC(O)COCC(C)(C)F 34a_100000716592_100011218378 [0,2,0,0,0,0|1,0,0]=3 7488 B10R0.60 CCC(O)COCC(C)(F)F 34a_100000068830_100011218378 [0,2,0,0,0,0|1,0,0]=3 7489 B10R0.60 CCC(O)COCC(F)(F)Br 34a_100011217949_100011218378 [0,2,0,0,0,0|2,0,0]=4 7490 B10R0.60 CCC(O)COCC(F)(F)Cl 34a_100000734434_100011218378 [0,2,0,0,0,0|2,0,0]=4 7491 B10R0.60 CCC(O)COCC(F)(F)F 34a_100000210435_100011218378 [0,2,0,0,0,0|2,0,0]=4 7492 B10R0.60 CCC(O)CSCC(C)(C)C 62a_100011218378_100011219605 [0,2,0,0,0,0|1,0,0]=3 7493 B10R0.60 CCC(O)CSCC(C)(C)C 62a_100011219605_100011218378 [0,2,0,0,0,0|1,0,0]=3 7494 B10R0.60 CCC(O)CSCC(C)(C)F 62a_100011218378_100011997219 [0,2,0,0,0,0|1,0,0]=3 7495 B10R0.60 CCC(O)CSCC(C)(C)F 62a_100011997219_100011218378 [0,2,0,0,0,0|1,0,0]=3 7496 B10R0.60 CCC(O)CSCC(C)(C)O 62a_100000764493_100011218378 [0,2,0,0,0,0|1,0,0]=3 7497 B10R0.60 CCC(O)CSCC(C)(C)O 62a_100011218378_100000764493 [0,2,0,0,0,0|1,0,0]=3 7498 B10R0.60 CCC(O)CSCC(F)(F)F 62a_100000763148_100011218378 [0,2,0,0,0,0|2,0,0]=4 7499 B10R0.60 CCC(O)CSCC(F)(F)F 62a_100011218378_100000763148 [0,2,0,0,0,0|2,0,0]=4 7500 B10R0.60 CCC(O)CSC[N+](C)(C)C 62a_100011218378_200000036245 [0,2,0,0,0,0|2,0,0]=4 7501 B10R0.60 CCC(O)CSC[N+](C)(C)C 62a_200000036245_100011218378 [0,2,0,0,0,0|2,0,0]=4 7502 B10R0.60 CCC(O)CSC[Si](C)(C)C 62a_100000037933_100011218378 [0,2,0,0,0,0|1,1,0]=4 7503 B10R0.60 CCC(O)CSC[Si](C)(C)C 62a_100011218378_100000037933 [0,2,0,0,0,0|1,1,0]=4 7504 B10R0.60 CCN(C)CCCC(C)(C)O 2230a_100000225621_100009888830 [0,2,0,0,0,0|2,0,0]=4 7505 B10R0.60 CCN(C)CCCC(C)(C)O 269982a_100000225621_100009888830 [0,2,0,0,0,0|2,0,0]=4 7506 B10R0.60 CC[C@H](C)CNCC(C)(C)C 2230a_100000743828_100009816398 [0,2,0,0,0,0|2,0,0]=4 7507 B10R0.60 CC[C@H](C)CNCC(C)(C)F 2230a_100020643315_100009816398 [0,2,0,0,0,0|2,0,0]=4 7508 B10R0.60 CC[C@H](C)CNCC(C)(C)O 2230a_100000751335_100009816398 [0,2,0,0,0,0|2,0,0]=4 7509 B10R0.60 CC[C@H](C)COCC(C)(C)F 34a_100000716592_100009816398 [0,2,0,0,0,0|2,0,0]=4 7510 B10R0.60 CC[C@H](C)COCC(C)(C)O 7a_100009816381_100000764493 [0,2,0,0,0,0|2,0,0]=4 7511 B10R0.60 CC[C@H](C)COCC(C)(F)F 34a_100000068830_100009816398 [0,2,0,0,0,0|2,0,0]=4 7512 B10R0.60 CC[C@H](C)CSCC(C)(C)C 62a_100009816398_100011219605 [0,2,0,0,0,0|2,0,0]=4 7513 B10R0.60 CC[C@H](C)CSCC(C)(C)C 62a_100011219605_100009816398 [0,2,0,0,0,0|2,0,0]=4 7514 B10R0.60 CC[C@H](C)CSCC(C)(C)F 62a_100009816398_100011997219 [0,2,0,0,0,0|2,0,0]=4 7515 B10R0.60 CC[C@H](C)CSCC(C)(C)F 62a_100011997219_100009816398 [0,2,0,0,0,0|2,0,0]=4 7516 B10R0.60 CC[C@H](C)CSCC(C)(C)O 62a_100000764493_100009816398 [0,2,0,0,0,0|2,0,0]=4 7517 B10R0.60 CC[C@H](C)CSCC(C)(C)O 62a_100009816398_100000764493 [0,2,0,0,0,0|2,0,0]=4 7518 B10R0.65 CC(C)CCCC(C)(C)O[13CH3] 7a_100011215742_200025704644 [0,2,0,0,0,0|2,0,0]=4 7519 B10R0.65 CCC(C)(C)COCC(C)C 7a_100000765029_100000210760 [0,2,0,0,0,0|2,0,0]=4 7520 B10R0.65 CCC(C)(C)COCC(C)O 7a_100000765029_100011218427 [0,2,0,0,0,0|2,0,0]=4 7521 B10R0.65 CCC(C)(C)COC[C@@H](C)O 7a_100000765029_100009817552 [0,2,0,0,0,0|2,0,0]=4 7522 B10R0.65 CCC(C)(C)NCCC(C)C 2230a_100000211385_100000210312 [0,2,0,0,0,0|2,0,0]=4 7523 B10R0.65 CCC(C)(C)NCCC(C)O 2230a_100000211385_100012276601 [0,2,0,0,0,0|2,0,0]=4 7524 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210230_100000210626 [0,2,0,0,0,0|2,0,0]=4 7525 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210254_100000210677 [0,2,0,0,0,0|2,0,0]=4 7526 B10R0.65 CCC(C)(C)OCCC(C)O 7a_100000210230_100012276601 [0,2,0,0,0,0|2,0,0]=4 7527 B10R0.65 CCC(C)(C)SCCC(C)C 62a_100000032637_100000210312 [0,2,0,0,0,0|2,0,0]=4 7528 B10R0.65 CCC(C)(C)SCCC(C)C 62a_100000210312_100000032637 [0,2,0,0,0,0|2,0,0]=4 7529 B10R0.65 CCC(C)(C)SCCC(C)O 62a_100000032637_100012276601 [0,2,0,0,0,0|2,0,0]=4 7530 B10R0.65 CCC(C)(C)SCCC(C)O 62a_100012276601_100000032637 [0,2,0,0,0,0|2,0,0]=4 7531 B10R0.65 COC(C)(C)CCCC(C)C 7a_100011215742_200000210301 [0,2,0,0,0,0|2,0,0]=4 7532 B10R0.77 C#CC(CC)OCCC(C)C 34a_100000758843_100000210312 [0,2,0,0,0,0|2,0,0]=4 7533 B10R0.77 C#CC(CC)OCCC(C)C 7a_100000758843_100000210626 [0,2,0,0,0,0|2,0,0]=4 7534 B10R0.77 C#CC(CC)OCCC(C)O 34a_100000758843_100012276601 [0,2,0,0,0,0|2,0,0]=4 7535 B10R0.77 C#CC(CC)OCCC(C)O 7a_100000758843_100012276601 [0,2,0,0,0,0|2,0,0]=4 7536 B10R0.77 C=C(C)CCN[C@@H](CC)CO 2230a_100000709445_100000730704 [0,2,0,0,0,0|1,0,1]=4 7537 B10R0.77 C=C(C)COCC(CC)OC 34a_100011934954_100000748629 [0,2,0,0,0,0|1,0,1]=4 7538 B10R0.77 C=C(C)COCC(CC)OC 7a_100011934954_100000748629 [0,2,0,0,0,0|1,0,1]=4 7539 B10R0.77 C=CC(CC)OCCC(C)C 34a_100000766422_100000210312 [0,2,0,0,0,0|2,0,0]=4 7540 B10R0.77 C=CC(CC)OCCC(C)C 7a_100000766422_100000210626 [0,2,0,0,0,0|2,0,0]=4 7541 B10R0.77 C=CC(CC)OCCC(C)O 34a_100000766422_100012276601 [0,2,0,0,0,0|2,0,0]=4 7542 B10R0.77 C=CC(CC)OCCC(C)O 7a_100000766422_100012276601 [0,2,0,0,0,0|2,0,0]=4 7543 B10R0.77 CC(C)CCNC(CO)CO 2230a_100000759517_100000210312 [0,2,0,0,0,0|2,0,0]=4 7544 B10R0.77 CC(O)CCNC(CO)CO 2230a_100000759517_100012276601 [0,2,0,0,0,0|2,0,0]=4 7545 B10R0.77 CCC(CC)CNCC(C)C 2230a_100000210953_100011215472 [0,2,0,0,0,0|2,0,0]=4 7546 B10R0.77 CCC(CC)CNCC(C)C 2230a_100102946423_100000210760 [0,2,0,0,0,0|2,0,0]=4 7547 B10R0.77 CCC(CC)CNCC(C)C 269862a_100000210953_100000211137 [0,2,0,0,0,0|2,0,0]=4 7548 B10R0.77 CCC(CC)CNCC(C)C 270004a_100000210953_100000211137 [0,2,0,0,0,0|2,0,0]=4 7549 B10R0.77 CCC(CC)CNCC(C)C 270004a_100102946423_100000210432 [0,2,0,0,0,0|2,0,0]=4 7550 B10R0.77 CCC(CC)CNCC(C)C 34a_100000210953_100011215472 [0,2,0,0,0,0|2,0,0]=4 7551 B10R0.77 CCC(CC)CNCC(C)O 2230a_100000210904_100011215472 [0,2,0,0,0,0|2,0,0]=4 7552 B10R0.77 CCC(CC)CNCC(C)O 2230a_100102946423_100011218427 [0,2,0,0,0,0|2,0,0]=4 7553 B10R0.77 CCC(CC)CNCC(C)O 269862a_100000210904_100000211137 [0,2,0,0,0,0|2,0,0]=4 7554 B10R0.77 CCC(CC)CNCC(C)O 270004a_100000210904_100000211137 [0,2,0,0,0,0|2,0,0]=4 7555 B10R0.77 CCC(CC)CNCC(C)O 34a_100000210904_100011215472 [0,2,0,0,0,0|2,0,0]=4 7556 B10R0.77 CCC(CC)CNC[C@@H](C)O 2230a_100102946423_100009817552 [0,2,0,0,0,0|2,0,0]=4 7557 B10R0.77 CCC(CC)COCC(C)Br 34a_100012180447_100011215472 [0,2,0,0,0,0|2,0,0]=4 7558 B10R0.77 CCC(CC)COCC(C)C 34a_100000210257_100011215472 [0,2,0,0,0,0|2,0,0]=4 7559 B10R0.77 CCC(CC)COCC(C)C 7a_100000703878_100000210760 [0,2,0,0,0,0|2,0,0]=4 7560 B10R0.77 CCC(CC)COCC(C)F 34a_100015925927_100011215472 [0,2,0,0,0,0|2,0,0]=4 7561 B10R0.77 CCC(CC)COCC(C)O 7a_100000703878_100011218427 [0,2,0,0,0,0|2,0,0]=4 7562 B10R0.77 CCC(CC)COC[C@@H](C)Cl 34a_100016084084_100011215472 [0,2,0,0,0,0|2,0,0]=4 7563 B10R0.77 CCC(CC)COC[C@@H](C)N 34a_100000737577_100011215472 [0,2,0,0,0,0|2,0,0]=4 7564 B10R0.77 CCC(CC)COC[C@@H](C)O 7a_100000703878_100009817552 [0,2,0,0,0,0|2,0,0]=4 7565 B10R0.77 CCC(CC)CSCC(C)C 62a_100000210624_100011215472 [0,2,0,0,0,0|2,0,0]=4 7566 B10R0.77 CCC(CC)CSCC(C)C 62a_100011215472_100000210760 [0,2,0,0,0,0|2,0,0]=4 7567 B10R0.77 CCC(CC)CSCC(C)O 62a_100011215472_100011218427 [0,2,0,0,0,0|2,0,0]=4 7568 B10R0.77 CCC(CC)CSCC(C)O 62a_100011218427_100011215472 [0,2,0,0,0,0|2,0,0]=4 7569 B10R0.77 CCC(CC)CSC[C@@H](C)O 62a_100009817552_100011215472 [0,2,0,0,0,0|2,0,0]=4 7570 B10R0.77 CCC(CC)CSC[C@@H](C)O 62a_100011215472_100009817552 [0,2,0,0,0,0|2,0,0]=4 7571 B10R0.77 CCC(CC)NCCC(C)C 2230a_100000199018_100000210312 [0,2,0,0,0,0|2,0,0]=4 7572 B10R0.77 CCC(CC)NCCC(C)C 269862a_100000199018_100000185833 [0,2,0,0,0,0|2,0,0]=4 7573 B10R0.77 CCC(CC)NCCC(C)C 270004a_100000210545_100000210860 [0,2,0,0,0,0|2,0,0]=4 7574 B10R0.77 CCC(CC)NCCC(C)O 2230a_100000199018_100012276601 [0,2,0,0,0,0|2,0,0]=4 7575 B10R0.77 CCC(CC)NCCC(C)O 270004a_200000755665_100000210860 [0,2,0,0,0,0|2,0,0]=4 7576 B10R0.77 CCC(CC)OCCC(C)C 7a_100000210254_100000210505 [0,2,0,0,0,0|2,0,0]=4 7577 B10R0.77 CCC(CC)OCCC(C)C 7a_100000688536_100000210626 [0,2,0,0,0,0|2,0,0]=4 7578 B10R0.77 CCC(CC)OCCC(C)O 7a_100000688536_100012276601 [0,2,0,0,0,0|2,0,0]=4 7579 B10R0.77 CCC(CC)SCCC(C)C 62a_100000210312_100000210505 [0,2,0,0,0,0|2,0,0]=4 7580 B10R0.77 CCC(CC)SCCC(C)C 62a_100000210505_100000210312 [0,2,0,0,0,0|2,0,0]=4 7581 B10R0.77 CCC(CC)SCCC(C)O 62a_100000210505_100012276601 [0,2,0,0,0,0|2,0,0]=4 7582 B10R0.77 CCC(CC)SCCC(C)O 62a_100012276601_100000210505 [0,2,0,0,0,0|2,0,0]=4 7583 B10R0.77 CCC(CNCC(C)C)OC 270004a_100000731041_100000210432 [0,2,0,0,0,0|1,0,0]=3 7584 B10R0.77 CCC(COCC(C)C)OC 34a_100011934954_100000210624 [0,2,0,0,0,0|1,0,0]=3 7585 B10R0.77 CCC(COCC(C)C)OC 7a_100011934954_100000210760 [0,2,0,0,0,0|1,0,0]=3 7586 B10R0.77 CCC(COCC(C)O)OC 34a_100011934954_100011218427 [0,2,0,0,0,0|1,0,0]=3 7587 B10R0.77 CCC(COCC(C)O)OC 7a_100011934954_100011218427 [0,2,0,0,0,0|1,0,0]=3 7588 B10R0.77 CCC(COCC(F)F)OC 34a_100011934954_100011934356 [0,2,0,0,0,0|2,0,0]=4 7589 B10R0.77 CCC(COCC(F)F)OC 7a_100011934954_100011934356 [0,2,0,0,0,0|2,0,0]=4 7590 B10R0.77 CCC(COC[C@@H](C)O)OC 34a_100011934954_100009817552 [0,2,0,0,0,0|1,0,0]=3 7591 B10R0.77 CCC(COC[C@@H](C)O)OC 7a_100011934954_100009817552 [0,2,0,0,0,0|1,0,0]=3 7592 B10R0.77 CCN(CC)CCCC(C)C 2230a_100000724800_100011214892 [0,2,0,0,0,0|2,0,0]=4 7593 B10R0.77 CCN(CC)CCCC(C)C 269956a_100000042499_100011214892 [0,2,0,0,0,0|2,0,0]=4 7594 B10R0.77 CCN(CC)CCCC(C)C 269982a_100000724800_100011214892 [0,2,0,0,0,0|2,0,0]=4 7595 B10R0.77 CCN(CC)CCCC(C)O 2230a_100000724800_200000718107 [0,2,0,0,0,0|2,0,0]=4 7596 B10R0.77 CCN(CC)CCCC(C)O 269956a_100000042499_200000718107 [0,2,0,0,0,0|2,0,0]=4 7597 B10R0.77 CCN(CC)CCCC(C)O 269982a_100000724800_200000718107 [0,2,0,0,0,0|2,0,0]=4 7598 B10R0.77 CC[C@@H](CO)NCCC(C)C 2230a_100000709445_100000210312 [0,2,0,0,0,0|1,0,0]=3 7599 B10R0.77 CC[C@@H](CO)NCCC(C)C 269862a_100000709445_100000185833 [0,2,0,0,0,0|1,0,0]=3 7600 B10R0.77 CC[C@@H](CO)NCCC(C)O 2230a_100000709445_100012276601 [0,2,0,0,0,0|1,0,0]=3 7601 B10R0.77 CC[C@@H](CO)NCOC(C)C 2230a_100000709445_100000709892 [0,2,0,0,0,0|2,0,0]=4 7602 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,2,0,0,0,0|1,0,1]=4 7603 B10R0.77 COC(CCCN(C)C)OC 2230a_100102631434_100000069011 [0,2,0,0,0,0|2,0,0]=4 7604 B10R0.77 COC(CCCN(C)C)OC 269982a_100102631434_100000069011 [0,2,0,0,0,0|2,0,0]=4 7605 B10R0.77 COC(CCNC(C)C)OC 2230a_100138425928_100009813347 [0,2,0,0,0,0|2,0,0]=4 7606 B10R0.77 COC(CCNC(C)C)OC 34a_100138425928_100000139399 [0,2,0,0,0,0|2,0,0]=4 7607 B10R0.77 COC(CCOC(C)C)OC 34a_100000212225_100000139399 [0,2,0,0,0,0|2,0,0]=4 7608 B10R0.77 COC(CCSC(C)C)OC 62a_100000139399_100000210206 [0,2,0,0,0,0|2,0,0]=4 7609 B10R0.77 COC(CCSC(C)C)OC 62a_100000210206_100000139399 [0,2,0,0,0,0|2,0,0]=4 7610 B10R0.77 COC(CNCC(C)C)OC 2230a_100000210953_100000751394 [0,2,0,0,0,0|2,0,0]=4 7611 B10R0.77 COC(CNCC(C)C)OC 270004a_100000210479_100000210432 [0,2,0,0,0,0|2,0,0]=4 7612 B10R0.77 COC(CNCC(C)C)OC 270004a_100000210953_100000752162 [0,2,0,0,0,0|2,0,0]=4 7613 B10R0.77 COC(CNCC(C)C)OC 34a_100000210953_100000211822 [0,2,0,0,0,0|2,0,0]=4 7614 B10R0.77 COC(CNCC(C)O)OC 2230a_100000210904_100000751394 [0,2,0,0,0,0|2,0,0]=4 7615 B10R0.77 COC(CNCC(C)O)OC 270004a_100000210904_100000752162 [0,2,0,0,0,0|2,0,0]=4 7616 B10R0.77 COC(CNCC(C)O)OC 34a_100000210904_100000211822 [0,2,0,0,0,0|2,0,0]=4 7617 B10R0.77 COC(COCC(C)Br)OC 34a_100012180447_100000211822 [0,2,0,0,0,0|2,0,0]=4 7618 B10R0.77 COC(COCC(C)C)OC 34a_100000210257_100000211822 [0,2,0,0,0,0|2,0,0]=4 7619 B10R0.77 COC(COCC(C)C)OC 34a_100011216393_100000210624 [0,2,0,0,0,0|2,0,0]=4 7620 B10R0.77 COC(COCC(C)F)OC 34a_100015925927_100000211822 [0,2,0,0,0,0|2,0,0]=4 7621 B10R0.77 COC(COCC(C)O)OC 34a_100011216393_100011218427 [0,2,0,0,0,0|2,0,0]=4 7622 B10R0.77 COC(COC[C@@H](C)Cl)OC 34a_100016084084_100000211822 [0,2,0,0,0,0|2,0,0]=4 7623 B10R0.77 COC(COC[C@@H](C)N)OC 34a_100000737577_100000211822 [0,2,0,0,0,0|2,0,0]=4 7624 B10R0.77 COC(COC[C@@H](C)O)OC 34a_100011216393_100009817552 [0,2,0,0,0,0|2,0,0]=4 7625 B10R0.77 COC(CSCC(C)C)OC 62a_100000210624_100000751394 [0,2,0,0,0,0|2,0,0]=4 7626 B10R0.77 COC(CSCC(C)C)OC 62a_100000751394_100000210760 [0,2,0,0,0,0|2,0,0]=4 7627 B10R0.77 COC(CSCC(C)O)OC 62a_100000751394_100011218427 [0,2,0,0,0,0|2,0,0]=4 7628 B10R0.77 COC(CSCC(C)O)OC 62a_100011218427_100000751394 [0,2,0,0,0,0|2,0,0]=4 7629 B10R0.77 COC(CSC[C@@H](C)O)OC 62a_100000751394_100009817552 [0,2,0,0,0,0|2,0,0]=4 7630 B10R0.77 COC(CSC[C@@H](C)O)OC 62a_100009817552_100000751394 [0,2,0,0,0,0|2,0,0]=4 7631 B10R0.82 C=C(C)C(C)NCC(O)CC 269862a_100011218483_100011216138 [0,2,0,0,0,0|1,0,1]=4 7632 B10R0.82 CC(C)C(C)NCC(O)CO 2230a_100000211541_100011219619 [0,2,0,0,0,0|2,0,0]=4 7633 B10R0.82 CC(C)C(C)NC[C@@H](O)CF 2230a_100000211541_100015614560 [0,2,0,0,0,0|2,0,0]=4 7634 B10R0.82 CC(C)C(C)NC[C@@H](O)CO 2230a_100000211541_100009815848 [0,2,0,0,0,0|2,0,0]=4 7635 B10R0.82 CC(C)C(C)OCC(O)CO 7a_100000748068_100011219619 [0,2,0,0,0,0|2,0,0]=4 7636 B10R0.82 CC(C)C(C)OC[C@@H](O)CF 7a_100000748068_100015614560 [0,2,0,0,0,0|2,0,0]=4 7637 B10R0.82 CC(C)C(C)OC[C@@H](O)CO 7a_100000748068_100009815848 [0,2,0,0,0,0|2,0,0]=4 7638 B10R0.82 CC(CO)NCC(O)C(C)C 2230a_100000759067_100012180447 [0,2,0,0,0,0|2,0,0]=4 7639 B10R0.82 CC(CO)NCC(O)C(C)C 34a_100000759067_100012180447 [0,2,0,0,0,0|2,0,0]=4 7640 B10R0.82 CCC(=O)NCC(O)C(C)C 11a_100000759067_100000210414 [0,2,0,0,0,0|1,0,1]=4 7641 B10R0.82 CCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210414 [0,2,0,0,0,0|1,0,1]=4 7642 B10R0.82 CCC(=O)NCC(O)C(C)C 527a_100000759067_100000210414 [0,2,0,0,0,0|1,0,1]=4 7643 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,2,0,0,0,0|0,0,2]=4 7644 B10R0.82 CCC(C)CNC(C)C(C)C 2230a_100000211541_100000748023 [0,2,0,0,0,0|2,0,0]=4 7645 B10R0.82 CCC(C)CNC(C)C(C)C 270004a_100000211541_100000243153 [0,2,0,0,0,0|2,0,0]=4 7646 B10R0.82 CCC(C)COC(C)C(C)C 7a_100000748068_100000748023 [0,2,0,0,0,0|2,0,0]=4 7647 B10R0.82 CCC(C)NCC(O)C(C)C 2230a_100000759067_100000758301 [0,2,0,0,0,0|1,0,0]=3 7648 B10R0.82 CCC(C)NCC(O)C(C)C 34a_100000759067_100011215416 [0,2,0,0,0,0|1,0,0]=3 7649 B10R0.82 CCC(C)OC[C@H](N)C(C)C 34a_100011830312_100011215416 [0,2,0,0,0,0|2,0,0]=4 7650 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,2,0,0,0,0|1,0,1]=4 7651 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,2,0,0,0,0|1,0,1]=4 7652 B10R0.82 CCC(O)CNC(=O)C(C)C 11a_100011218483_100000210198 [0,2,0,0,0,0|1,0,1]=4 7653 B10R0.82 CCC(O)CNC(=O)C(C)C 240690a_100011218483_100000210198 [0,2,0,0,0,0|1,0,1]=4 7654 B10R0.82 CCC(O)CNC(=O)C(C)C 527a_100011218483_100000210198 [0,2,0,0,0,0|1,0,1]=4 7655 B10R0.82 CCC(O)CNC(=O)C(C)F 11a_100011218483_100000062450 [0,2,0,0,0,0|1,0,1]=4 7656 B10R0.82 CCC(O)CNC(=O)C(C)F 240690a_100011218483_100000062450 [0,2,0,0,0,0|1,0,1]=4 7657 B10R0.82 CCC(O)CNC(=O)C(C)F 527a_100011218483_100000062450 [0,2,0,0,0,0|1,0,1]=4 7658 B10R0.82 CCC(O)CNC(=O)[C@@H](C)O 240690a_100011218483_100000717761 [0,2,0,0,0,0|1,0,1]=4 7659 B10R0.82 CCC(O)CNC(=O)[C@H](C)O 240690a_100011218483_217856618621 [0,2,0,0,0,0|1,0,1]=4 7660 B10R0.82 CCC(O)CNC(C)C(=O)C 2230a_100011218483_100009814033 [0,2,0,0,0,0|1,0,1]=4 7661 B10R0.82 CCC(O)CNC(C)C(C)C 2230a_100000211541_100011218378 [0,2,0,0,0,0|1,0,0]=3 7662 B10R0.82 CCC(O)COC(C)C(=O)C 34a_100000212229_100011218378 [0,2,0,0,0,0|1,0,1]=4 7663 B10R0.82 CCC(O)COC(C)C(C)C 7a_100000748068_100011218378 [0,2,0,0,0,0|1,0,0]=3 7664 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100009814033_100011218378 [0,2,0,0,0,0|1,0,1]=4 7665 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100011218378_100009814033 [0,2,0,0,0,0|1,0,1]=4 7666 B10R0.82 CC[C@H](C)CNC(C)C(C)C 2230a_100000211541_100009816398 [0,2,0,0,0,0|2,0,0]=4 7667 B10R0.82 CC[C@H](C)COC(C)C(C)C 7a_100000748068_100009816398 [0,2,0,0,0,0|2,0,0]=4 7668 B10R0.98 C=C(C)CNCC(O)C(C)C 2230a_100000759067_100000748629 [0,2,0,0,0,0|1,0,1]=4 7669 B10R0.98 C=C(C)CNCC(O)C(C)C 34a_100000759067_100000748629 [0,2,0,0,0,0|1,0,1]=4 7670 B10R0.98 CC(C)C(O)CNCC(F)F 2230a_100000759067_100011934356 [0,2,0,0,0,0|2,0,0]=4 7671 B10R0.98 CC(C)C(O)CNCC(F)F 34a_100000759067_100011934356 [0,2,0,0,0,0|2,0,0]=4 7672 B10R0.98 CC(C)C(O)CNC[C@@H](C)O 2230a_100000759067_100009817552 [0,2,0,0,0,0|1,0,0]=3 7673 B10R0.98 CC(C)C(O)CNC[C@@H](C)O 34a_100000759067_100009817552 [0,2,0,0,0,0|1,0,0]=3 7674 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,2,0,0,0,0|0,0,2]=4 7675 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,2,0,0,0,0|0,0,2]=4 7676 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,2,0,0,0,0|0,0,2]=4 7677 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,2,0,0,0,0|0,0,2]=4 7678 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,2,0,0,0,0|0,0,2]=4 7679 B10R0.98 CC(C)CCCC(C)N(C)C 270004a_100102631434_100000753411 [0,2,0,0,0,0|2,0,0]=4 7680 B10R0.98 CC(C)CCCN(C)C(C)C 269982a_200000211004_100011214892 [0,2,0,0,0,0|2,0,0]=4 7681 B10R0.98 CC(C)CCNC(C)C(C)C 2230a_100000211541_100000210312 [0,2,0,0,0,0|2,0,0]=4 7682 B10R0.98 CC(C)CCNC(C)C(C)C 269862a_100000211541_100000185833 [0,2,0,0,0,0|2,0,0]=4 7683 B10R0.98 CC(C)CCOC(C)C(C)C 7a_100000748068_100000210626 [0,2,0,0,0,0|2,0,0]=4 7684 B10R0.98 CC(C)CNCC(O)C(C)C 2230a_100000759067_100000210760 [0,2,0,0,0,0|1,0,0]=3 7685 B10R0.98 CC(C)CNCC(O)C(C)C 270004a_100000759067_100000210432 [0,2,0,0,0,0|1,0,0]=3 7686 B10R0.98 CC(C)CNCC(O)C(C)C 34a_100000759067_100000210624 [0,2,0,0,0,0|1,0,0]=3 7687 B10R0.98 CC(C)COC[C@H](N)C(C)C 34a_100011830312_100000210624 [0,2,0,0,0,0|2,0,0]=4 7688 B10R0.98 CC(C)OCCC(N)C(C)C 34a_100161115045_100000210206 [0,2,0,0,0,0|2,0,0]=4 7689 B10R0.98 CC(C)[C@@H](N)COC[C@@H](C)O 34a_100011830312_100009817552 [0,2,0,0,0,0|2,0,0]=4 7690 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,2,0,0,0,0|0,0,2]=4 7691 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,2,0,0,0,0|0,0,2]=4 7692 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,2,0,0,0,0|0,0,2]=4 7693 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,2,0,0,0,0|0,0,2]=4 7694 B10R0.98 CC(O)CCCN(C)C(C)C 269982a_200000211004_200000718107 [0,2,0,0,0,0|2,0,0]=4 7695 B10R0.98 CC(O)CCNC(C)C(C)C 2230a_100000211541_100012276601 [0,2,0,0,0,0|2,0,0]=4 7696 B10R0.98 CC(O)CCOC(C)C(C)C 7a_100000748068_100012276601 [0,2,0,0,0,0|2,0,0]=4 7697 B10R0.98 CC(O)CNCC(O)C(C)C 2230a_100000759067_100011218427 [0,2,0,0,0,0|1,0,0]=3 7698 B10R0.98 CC(O)CNCC(O)C(C)C 34a_100000759067_100011218427 [0,2,0,0,0,0|1,0,0]=3 7699 B10R0.98 CC(O)COC[C@H](N)C(C)C 34a_100011830312_100011218427 [0,2,0,0,0,0|2,0,0]=4 7700 B10R0.1 C#CCC(C)OCCCCC 34a_100000685586_100000718602 [0,2,0,0,0,0|1,0,1]=4 7701 B10R0.1 C#CCC(C)OCCCCC 7a_100000685586_100000210326 [0,2,0,0,0,0|1,0,1]=4 7702 B10R0.1 C#CCCNCC(O)COC 2230a_100000756049_100000688953 [0,2,0,0,0,0|0,0,2]=4 7703 B10R0.1 C#CCCNCC(O)COC 34a_100000755551_100011215053 [0,2,0,0,0,0|0,0,2]=4 7704 B10R0.1 C#CCCNCC(O)COC 34a_100000756049_100000688953 [0,2,0,0,0,0|0,0,2]=4 7705 B10R0.1 C#CCCOCC(O)COC 34a_100011215631_100011215053 [0,2,0,0,0,0|0,0,2]=4 7706 B10R0.1 C#CCCSCC(O)COC 62a_100000688953_100011215053 [0,2,0,0,0,0|0,0,2]=4 7707 B10R0.1 C#CCCSCC(O)COC 62a_100011215053_100000688953 [0,2,0,0,0,0|0,0,2]=4 7708 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,2,0,0,0,0|1,0,1]=4 7709 B10R0.1 C/C=C/CNCC(O)COC 34a_100000756049_100102629194 [0,2,0,0,0,0|0,0,2]=4 7710 B10R0.1 C/C=C/COCC(O)COC 34a_100016270725_100011215053 [0,2,0,0,0,0|0,0,2]=4 7711 B10R0.1 C/C=C/CSCC(O)COC 62a_100011215053_100102629194 [0,2,0,0,0,0|0,0,2]=4 7712 B10R0.1 C/C=C/CSCC(O)COC 62a_100102629194_100011215053 [0,2,0,0,0,0|0,0,2]=4 7713 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,2,0,0,0,0|1,0,1]=4 7714 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,2,0,0,0,0|1,0,1]=4 7715 B10R0.1 C=CCCNCC(O)COC 2230a_100000756049_100000754431 [0,2,0,0,0,0|0,0,2]=4 7716 B10R0.1 C=CCCNCC(O)COC 34a_100000756049_100000754431 [0,2,0,0,0,0|0,0,2]=4 7717 B10R0.1 C=CCCOCC(O)COC 34a_100011205117_100011215053 [0,2,0,0,0,0|0,0,2]=4 7718 B10R0.1 C=CCCSCC(O)COC 62a_100000754431_100011215053 [0,2,0,0,0,0|0,0,2]=4 7719 B10R0.1 C=CCCSCC(O)COC 62a_100011215053_100000754431 [0,2,0,0,0,0|0,0,2]=4 7720 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,2,0,0,0,0|1,0,1]=4 7721 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,2,0,0,0,0|1,0,1]=4 7722 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,2,0,0,0,0|1,0,1]=4 7723 B10R0.1 CC#CC(C)OCCCCC 34a_100011216543_100000718602 [0,2,0,0,0,0|1,0,1]=4 7724 B10R0.1 CC#CCNCC(O)COC 2230a_100000756049_100000748600 [0,2,0,0,0,0|0,0,2]=4 7725 B10R0.1 CC#CCNCC(O)COC 34a_100000685387_100011215053 [0,2,0,0,0,0|0,0,2]=4 7726 B10R0.1 CC#CCNCC(O)COC 34a_100000756049_100000748600 [0,2,0,0,0,0|0,0,2]=4 7727 B10R0.1 CC#CCOCC(O)COC 34a_100000761923_100011215053 [0,2,0,0,0,0|0,0,2]=4 7728 B10R0.1 CC#CCSCC(O)COC 62a_100000748600_100011215053 [0,2,0,0,0,0|0,0,2]=4 7729 B10R0.1 CC#CCSCC(O)COC 62a_100011215053_100000748600 [0,2,0,0,0,0|0,0,2]=4 7730 B10R0.1 CC(CCBr)OCCCCF 34a_100012276601_100000729493 [0,2,0,0,0,0|2,0,0]=4 7731 B10R0.1 CC(CCBr)OCCCCO 34a_100012276601_100011216708 [0,2,0,0,0,0|2,0,0]=4 7732 B10R0.1 CC(CCN)COCCCF 34a_106354213184_100011934791 [0,2,0,0,0,0|2,0,0]=4 7733 B10R0.1 CC(CCN)COCCCO 34a_106354213184_100000230001 [0,2,0,0,0,0|2,0,0]=4 7734 B10R0.1 CC(CCO)NCCCCO 2230a_100000750430_100009893172 [0,2,0,0,0,0|2,0,0]=4 7735 B10R0.1 CC(CCO)NCCCCO 34a_100000750430_100009893172 [0,2,0,0,0,0|2,0,0]=4 7736 B10R0.1 CC(CCO)OCCCCBr 34a_100011216708_100009893172 [0,2,0,0,0,0|2,0,0]=4 7737 B10R0.1 CC(CCO)OCCCCCl 34a_100000210776_100009893172 [0,2,0,0,0,0|2,0,0]=4 7738 B10R0.1 CC(CCO)OCCCCCl 7a_100000210776_100009893172 [0,2,0,0,0,0|2,0,0]=4 7739 B10R0.1 CC(CCO)OCCCCF 34a_100011995726_100009893172 [0,2,0,0,0,0|2,0,0]=4 7740 B10R0.1 CC(CCO)OCCCCF 7a_100011995726_100009893172 [0,2,0,0,0,0|2,0,0]=4 7741 B10R0.1 CC(CCO)OCCCCI 34a_200012148704_100009893172 [0,2,0,0,0,0|2,0,0]=4 7742 B10R0.1 CC(CCO)OCCCCN 34a_100000750430_100009893172 [0,2,0,0,0,0|2,0,0]=4 7743 B10R0.1 CC(CCO)SCCCCF 62a_100000729493_100009893172 [0,2,0,0,0,0|2,0,0]=4 7744 B10R0.1 CC(CCO)SCCCCF 62a_100009893172_100000729493 [0,2,0,0,0,0|2,0,0]=4 7745 B10R0.1 CC(CCO)SCCCCO 62a_100000210776_100009893172 [0,2,0,0,0,0|2,0,0]=4 7746 B10R0.1 CC(CCO)SCCCCO 62a_100009893172_100000210776 [0,2,0,0,0,0|2,0,0]=4 7747 B10R0.1 CC=CCNCC(O)COC 2230a_100000756049_100000070051 [0,2,0,0,0,0|0,0,2]=4 7748 B10R0.1 CC=CCNCC(O)COC 34a_100000756049_100000070051 [0,2,0,0,0,0|0,0,2]=4 7749 B10R0.1 CC=CCSCC(O)COC 62a_100000070051_100011215053 [0,2,0,0,0,0|0,0,2]=4 7750 B10R0.1 CC=CCSCC(O)COC 62a_100011215053_100000070051 [0,2,0,0,0,0|0,0,2]=4 7751 B10R0.1 CCC=NNCC(O)CSC 4a_200000122717_100000210100 [0,2,0,0,0,0|1,0,1]=4 7752 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|0,0,2]=4 7753 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|0,0,2]=4 7754 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|0,0,2]=4 7755 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|0,0,2]=4 7756 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|0,0,2]=4 7757 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,2,0,0,0,0|1,0,0]=3 7758 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,2,0,0,0,0|1,0,0]=3 7759 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [0,2,0,0,0,0|2,0,0]=4 7760 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [0,2,0,0,0,0|2,0,0]=4 7761 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [0,2,0,0,0,0|2,0,0]=4 7762 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [0,2,0,0,0,0|2,0,0]=4 7763 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,2,0,0,0,0|2,0,0]=4 7764 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,2,0,0,0,0|2,0,0]=4 7765 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [0,2,0,0,0,0|2,0,0]=4 7766 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [0,2,0,0,0,0|2,0,0]=4 7767 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [0,2,0,0,0,0|2,0,0]=4 7768 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [0,2,0,0,0,0|2,0,0]=4 7769 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [0,2,0,0,0,0|2,0,0]=4 7770 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [0,2,0,0,0,0|2,0,0]=4 7771 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [0,2,0,0,0,0|2,0,0]=4 7772 B10R0.1 CCCC(C)CNCCSC 2230a_100020590264_100011216630 [0,2,0,0,0,0|2,0,0]=4 7773 B10R0.1 CCCC(C)CNCCSC 270004a_100020590264_100000243154 [0,2,0,0,0,0|2,0,0]=4 7774 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [0,2,0,0,0,0|2,0,0]=4 7775 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [0,2,0,0,0,0|2,0,0]=4 7776 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [0,2,0,0,0,0|2,0,0]=4 7777 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [0,2,0,0,0,0|2,0,0]=4 7778 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [0,2,0,0,0,0|2,0,0]=4 7779 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [0,2,0,0,0,0|2,0,0]=4 7780 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [0,2,0,0,0,0|2,0,0]=4 7781 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [0,2,0,0,0,0|2,0,0]=4 7782 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [0,2,0,0,0,0|2,0,0]=4 7783 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [0,2,0,0,0,0|2,0,0]=4 7784 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [0,2,0,0,0,0|2,0,0]=4 7785 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [0,2,0,0,0,0|2,0,0]=4 7786 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [0,2,0,0,0,0|2,0,0]=4 7787 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [0,2,0,0,0,0|2,0,0]=4 7788 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [0,2,0,0,0,0|2,0,0]=4 7789 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [0,2,0,0,0,0|2,0,0]=4 7790 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [0,2,0,0,0,0|2,0,0]=4 7791 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [0,2,0,0,0,0|2,0,0]=4 7792 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [0,2,0,0,0,0|2,0,0]=4 7793 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [0,2,0,0,0,0|2,0,0]=4 7794 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [0,2,0,0,0,0|2,0,0]=4 7795 B10R0.1 CCCC(C)CSCCSC 62a_100000212216_100011216630 [0,2,0,0,0,0|2,0,0]=4 7796 B10R0.1 CCCC(C)CSCCSC 62a_100011216630_100000751147 [0,2,0,0,0,0|2,0,0]=4 7797 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [0,2,0,0,0,0|2,0,0]=4 7798 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [0,2,0,0,0,0|2,0,0]=4 7799 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [0,2,0,0,0,0|2,0,0]=4 7800 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [0,2,0,0,0,0|2,0,0]=4 7801 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [0,2,0,0,0,0|2,0,0]=4 7802 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [0,2,0,0,0,0|2,0,0]=4 7803 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [0,2,0,0,0,0|2,0,0]=4 7804 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [0,2,0,0,0,0|2,0,0]=4 7805 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [0,2,0,0,0,0|2,0,0]=4 7806 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [0,2,0,0,0,0|2,0,0]=4 7807 B10R0.1 CCCC(C)NCCCSC 2230a_100000749238_100000766640 [0,2,0,0,0,0|2,0,0]=4 7808 B10R0.1 CCCC(C)NCCCSC 270004a_100000749238_100000211909 [0,2,0,0,0,0|2,0,0]=4 7809 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [0,2,0,0,0,0|2,0,0]=4 7810 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [0,2,0,0,0,0|2,0,0]=4 7811 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [0,2,0,0,0,0|2,0,0]=4 7812 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [0,2,0,0,0,0|2,0,0]=4 7813 B10R0.1 CCCC(C)NCCSCC 2230a_100000106463_100000766640 [0,2,0,0,0,0|2,0,0]=4 7814 B10R0.1 CCCC(C)NCCSCC 2230a_100000741246_100000757381 [0,2,0,0,0,0|2,0,0]=4 7815 B10R0.1 CCCC(C)NCCSCC 270004a_100000106463_100000211909 [0,2,0,0,0,0|2,0,0]=4 7816 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,2,0,0,0,0|2,0,0]=4 7817 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,2,0,0,0,0|2,0,0]=4 7818 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,2,0,0,0,0|2,0,0]=4 7819 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,2,0,0,0,0|2,0,0]=4 7820 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,2,0,0,0,0|2,0,0]=4 7821 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,2,0,0,0,0|2,0,0]=4 7822 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,2,0,0,0,0|2,0,0]=4 7823 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,2,0,0,0,0|2,0,0]=4 7824 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,2,0,0,0,0|2,0,0]=4 7825 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,2,0,0,0,0|2,0,0]=4 7826 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,2,0,0,0,0|2,0,0]=4 7827 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,2,0,0,0,0|2,0,0]=4 7828 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,2,0,0,0,0|2,0,0]=4 7829 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,2,0,0,0,0|2,0,0]=4 7830 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,2,0,0,0,0|2,0,0]=4 7831 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,2,0,0,0,0|2,0,0]=4 7832 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,2,0,0,0,0|2,0,0]=4 7833 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [0,2,0,0,0,0|2,0,0]=4 7834 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [0,2,0,0,0,0|2,0,0]=4 7835 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [0,2,0,0,0,0|2,0,0]=4 7836 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [0,2,0,0,0,0|2,0,0]=4 7837 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [0,2,0,0,0,0|2,0,0]=4 7838 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [0,2,0,0,0,0|2,0,0]=4 7839 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [0,2,0,0,0,0|2,0,0]=4 7840 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [0,2,0,0,0,0|2,0,0]=4 7841 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [0,2,0,0,0,0|2,0,0]=4 7842 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [0,2,0,0,0,0|2,0,0]=4 7843 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [0,2,0,0,0,0|2,0,0]=4 7844 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [0,2,0,0,0,0|2,0,0]=4 7845 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [0,2,0,0,0,0|2,0,0]=4 7846 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [0,2,0,0,0,0|2,0,0]=4 7847 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [0,2,0,0,0,0|2,0,0]=4 7848 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [0,2,0,0,0,0|2,0,0]=4 7849 B10R0.1 CCCC(C)SCCSCC 62a_100000757381_100000766640 [0,2,0,0,0,0|2,0,0]=4 7850 B10R0.1 CCCC(C)SCCSCC 62a_100000766640_100000757381 [0,2,0,0,0,0|2,0,0]=4 7851 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|0,0,2]=4 7852 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|0,0,2]=4 7853 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|0,0,2]=4 7854 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|0,0,2]=4 7855 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|0,0,2]=4 7856 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,2]=4 7857 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|0,0,2]=4 7858 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 7859 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 7860 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 7861 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,2,0,0,0,0|1,0,0]=3 7862 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,2,0,0,0,0|1,0,0]=3 7863 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,2,0,0,0,0|1,0,0]=3 7864 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,2,0,0,0,0|1,0,0]=3 7865 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,2,0,0,0,0|2,0,0]=4 7866 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,2,0,0,0,0|1,0,0]=3 7867 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,2,0,0,0,0|1,0,0]=3 7868 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,2,0,0,0,0|1,0,0]=3 7869 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,2,0,0,0,0|2,0,0]=4 7870 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,2,0,0,0,0|2,0,0]=4 7871 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,2,0,0,0,0|1,0,0]=3 7872 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,2,0,0,0,0|1,0,0]=3 7873 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,2,0,0,0,0|2,0,0]=4 7874 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,2,0,0,0,0|2,0,0]=4 7875 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,2,0,0,0,0|2,0,0]=4 7876 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,2,0,0,0,0|2,0,0]=4 7877 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,2,0,0,0,0|2,0,0]=4 7878 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,2,0,0,0,0|2,0,0]=4 7879 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,2,0,0,0,0|2,0,0]=4 7880 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,2,0,0,0,0|2,0,0]=4 7881 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,2,0,0,0,0|2,0,0]=4 7882 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,2,0,0,0,0|2,0,0]=4 7883 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,2,0,0,0,0|2,0,0]=4 7884 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,2,0,0,0,0|2,0,0]=4 7885 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 7886 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 7887 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,2,0,0,0,0|2,0,0]=4 7888 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,2,0,0,0,0|2,0,0]=4 7889 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 7890 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 7891 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 7892 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|0,0,2]=4 7893 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|0,0,2]=4 7894 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|0,0,2]=4 7895 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|0,0,2]=4 7896 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|0,0,2]=4 7897 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 7898 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 7899 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 7900 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|0,0,2]=4 7901 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|0,0,2]=4 7902 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|0,0,2]=4 7903 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|0,0,2]=4 7904 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|0,0,2]=4 7905 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|0,0,2]=4 7906 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|0,0,2]=4 7907 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|0,0,2]=4 7908 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|0,0,2]=4 7909 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|0,0,2]=4 7910 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|0,0,2]=4 7911 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|0,0,2]=4 7912 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|0,0,2]=4 7913 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|0,0,2]=4 7914 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|0,0,2]=4 7915 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|0,0,2]=4 7916 B10R0.1 CCCCCNC(C)CC#N 2230a_100000209983_100009813641 [0,2,0,0,0,0|1,0,1]=4 7917 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,2,0,0,0,0|1,0,0]=3 7918 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,2,0,0,0,0|1,0,0]=3 7919 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,2,0,0,0,0|1,0,0]=3 7920 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,2,0,0,0,0|1,0,0]=3 7921 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,2,0,0,0,0|1,0,0]=3 7922 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,2,0,0,0,0|1,0,0]=3 7923 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,2,0,0,0,0|1,0,0]=3 7924 B10R0.1 CCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210326 [0,2,0,0,0,0|1,0,1]=4 7925 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,2,0,0,0,0|1,0,0]=3 7926 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,2,0,0,0,0|1,0,0]=3 7927 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,2,0,0,0,0|1,0,0]=3 7928 B10R0.1 CCCCCOC(C)CC#N 7a_100000210253_100009813641 [0,2,0,0,0,0|1,0,1]=4 7929 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,2,0,0,0,0|1,0,0]=3 7930 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,2,0,0,0,0|1,0,0]=3 7931 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,2,0,0,0,0|1,0,0]=3 7932 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,2,0,0,0,0|1,0,0]=3 7933 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,2,0,0,0,0|1,0,0]=3 7934 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,2,0,0,0,0|1,0,0]=3 7935 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,2,0,0,0,0|1,0,0]=3 7936 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,2,0,0,0,0|1,0,0]=3 7937 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,2,0,0,0,0|1,0,0]=3 7938 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,2,0,0,0,0|1,0,0]=3 7939 B10R0.1 CCCCCSC(C)CC#N 62a_100000210326_100009813641 [0,2,0,0,0,0|1,0,1]=4 7940 B10R0.1 CCCCCSC(C)CC#N 62a_100009813641_100000210326 [0,2,0,0,0,0|1,0,1]=4 7941 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,2,0,0,0,0|1,0,0]=3 7942 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,2,0,0,0,0|1,0,0]=3 7943 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,2,0,0,0,0|1,0,0]=3 7944 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,2,0,0,0,0|1,0,0]=3 7945 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,2,0,0,0,0|1,0,0]=3 7946 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,2,0,0,0,0|1,0,0]=3 7947 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|0,0,2]=4 7948 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|0,0,2]=4 7949 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|0,0,2]=4 7950 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|0,0,2]=4 7951 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|0,0,2]=4 7952 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|0,0,2]=4 7953 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|0,0,2]=4 7954 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,2,0,0,0,0|1,0,0]=3 7955 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,2,0,0,0,0|1,0,0]=3 7956 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,2,0,0,0,0|1,0,0]=3 7957 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,2,0,0,0,0|0,0,0]=2 7958 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,2,0,0,0,0|0,0,0]=2 7959 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,2,0,0,0,0|0,0,0]=2 7960 B10R0.1 CCCCNC[C@@H](O)CC#N 2230a_100000102301_100000001066 [0,2,0,0,0,0|0,0,1]=3 7961 B10R0.1 CCCCNC[C@@H](O)CC#N 7a_106832991798_100000001066 [0,2,0,0,0,0|0,0,1]=3 7962 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|0,0,2]=4 7963 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|0,0,2]=4 7964 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|0,0,2]=4 7965 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|0,0,2]=4 7966 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|0,0,2]=4 7967 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|0,0,2]=4 7968 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|0,0,2]=4 7969 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|0,0,2]=4 7970 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|0,0,2]=4 7971 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|0,0,2]=4 7972 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|0,0,2]=4 7973 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|0,0,2]=4 7974 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|0,0,2]=4 7975 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|0,0,2]=4 7976 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|0,0,2]=4 7977 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,2,0,0,0,0|1,0,0]=3 7978 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,2,0,0,0,0|1,0,0]=3 7979 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,2,0,0,0,0|1,0,0]=3 7980 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,2,0,0,0,0|1,0,0]=3 7981 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,2,0,0,0,0|1,0,0]=3 7982 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,2,0,0,0,0|1,0,0]=3 7983 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,2,0,0,0,0|1,0,0]=3 7984 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,2,0,0,0,0|2,0,0]=4 7985 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,2,0,0,0,0|2,0,0]=4 7986 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,2,0,0,0,0|1,0,0]=3 7987 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,2,0,0,0,0|0,0,0]=2 7988 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,2,0,0,0,0|0,0,0]=2 7989 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,2,0,0,0,0|2,0,0]=4 7990 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,2,0,0,0,0|2,0,0]=4 7991 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [0,2,0,0,0,0|2,0,0]=4 7992 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [0,2,0,0,0,0|2,0,0]=4 7993 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,2,0,0,0,0|1,0,0]=3 7994 B10R0.1 CCCCOC[C@@H](O)CC#N 7a_100000210227_100000001066 [0,2,0,0,0,0|0,0,1]=3 7995 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|0,0,2]=4 7996 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|0,0,2]=4 7997 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|0,0,2]=4 7998 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|0,0,2]=4 7999 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|0,0,2]=4 8000 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|0,0,2]=4 8001 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|0,0,2]=4 8002 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|0,0,2]=4 8003 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|0,0,2]=4 8004 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|0,0,2]=4 8005 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|0,0,2]=4 8006 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|0,0,2]=4 8007 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,2,0,0,0,0|1,0,0]=3 8008 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,2,0,0,0,0|1,0,0]=3 8009 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,2,0,0,0,0|0,0,0]=2 8010 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,2,0,0,0,0|0,0,0]=2 8011 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000001066_100000210210 [0,2,0,0,0,0|0,0,1]=3 8012 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000210211_100000001066 [0,2,0,0,0,0|0,0,1]=3 8013 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,2,0,0,0,0|2,0,0]=4 8014 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,2,0,0,0,0|2,0,0]=4 8015 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,2,0,0,0,0|2,0,0]=4 8016 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,2,0,0,0,0|2,0,0]=4 8017 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,2,0,0,0,0|2,0,0]=4 8018 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,2,0,0,0,0|2,0,0]=4 8019 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,2,0,0,0,0|2,0,0]=4 8020 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,2,0,0,0,0|2,0,0]=4 8021 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [0,2,0,0,0,0|2,0,0]=4 8022 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [0,2,0,0,0,0|2,0,0]=4 8023 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|0,0,2]=4 8024 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|0,0,2]=4 8025 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|0,0,2]=4 8026 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|0,0,2]=4 8027 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,2,0,0,0,0|0,0,2]=4 8028 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|0,0,2]=4 8029 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,2,0,0,0,0|1,0,0]=3 8030 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,2,0,0,0,0|1,0,0]=3 8031 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,2,0,0,0,0|2,0,0]=4 8032 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,2,0,0,0,0|2,0,0]=4 8033 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,2,0,0,0,0|2,0,0]=4 8034 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,2,0,0,0,0|2,0,0]=4 8035 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,2,0,0,0,0|1,0,0]=3 8036 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|0,0,2]=4 8037 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|0,0,2]=4 8038 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|0,0,2]=4 8039 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|0,0,2]=4 8040 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [0,2,0,0,0,0|2,0,0]=4 8041 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,2,0,0,0,0|2,0,0]=4 8042 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [0,2,0,0,0,0|2,0,0]=4 8043 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [0,2,0,0,0,0|2,0,0]=4 8044 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [0,2,0,0,0,0|2,0,0]=4 8045 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [0,2,0,0,0,0|2,0,0]=4 8046 B10R0.1 CCC[C@H](N)COCCSC 34a_100000732646_100000212216 [0,2,0,0,0,0|2,0,0]=4 8047 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|0,0,2]=4 8048 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|0,0,2]=4 8049 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|0,0,2]=4 8050 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|0,0,2]=4 8051 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|0,0,2]=4 8052 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|0,0,2]=4 8053 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|0,0,2]=4 8054 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|0,0,2]=4 8055 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|0,0,2]=4 8056 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|0,0,2]=4 8057 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|0,0,2]=4 8058 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|0,0,2]=4 8059 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|0,0,2]=4 8060 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|0,0,2]=4 8061 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,2,0,0,0,0|0,0,2]=4 8062 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|0,0,2]=4 8063 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|0,0,2]=4 8064 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [0,2,0,0,0,0|2,0,0]=4 8065 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [0,2,0,0,0,0|2,0,0]=4 8066 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [0,2,0,0,0,0|2,0,0]=4 8067 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [0,2,0,0,0,0|2,0,0]=4 8068 B10R0.1 CCOCCNC(C)COC 2230a_102516460346_100000765312 [0,2,0,0,0,0|2,0,0]=4 8069 B10R0.1 CCOCCNC(C)COC 270004a_102516460346_100000749346 [0,2,0,0,0,0|2,0,0]=4 8070 B10R0.1 CCOCCNC(C)COC 34a_102516460346_100000765312 [0,2,0,0,0,0|2,0,0]=4 8071 B10R0.1 CCOCCNC(C)CSC 270004a_102516460346_100011216314 [0,2,0,0,0,0|2,0,0]=4 8072 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [0,2,0,0,0,0|2,0,0]=4 8073 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [0,2,0,0,0,0|2,0,0]=4 8074 B10R0.1 CCOCCN[C@H](C)COC 2230a_100000764878_100011215890 [0,2,0,0,0,0|2,0,0]=4 8075 B10R0.1 CCOCCOC(C)CCBr 34a_100012276601_100000210147 [0,2,0,0,0,0|2,0,0]=4 8076 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [0,2,0,0,0,0|2,0,0]=4 8077 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [0,2,0,0,0,0|2,0,0]=4 8078 B10R0.1 CCOCCOC(C)COC 34a_100000210136_100000765312 [0,2,0,0,0,0|2,0,0]=4 8079 B10R0.1 CCOCCOC(C)COC 7a_100000210136_100000765312 [0,2,0,0,0,0|2,0,0]=4 8080 B10R0.1 CCOCCO[C@H](C)COC 34a_100011934205_100000210147 [0,2,0,0,0,0|2,0,0]=4 8081 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [0,2,0,0,0,0|2,0,0]=4 8082 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [0,2,0,0,0,0|2,0,0]=4 8083 B10R0.1 CCOCCSC(C)COC 62a_100000210147_100000765312 [0,2,0,0,0,0|2,0,0]=4 8084 B10R0.1 CCOCCSC(C)COC 62a_100000765312_100011215890 [0,2,0,0,0,0|2,0,0]=4 8085 B10R0.1 CCOCSCC(O)COC 62a_100000739092_100011215053 [0,2,0,0,0,0|1,0,0]=3 8086 B10R0.1 CCOCSCC(O)COC 62a_100011215053_100000739092 [0,2,0,0,0,0|1,0,0]=3 8087 B10R0.1 CCOCSC[C@@H](O)CC#N 62a_100000001066_100000739092 [0,2,0,0,0,0|1,0,1]=4 8088 B10R0.1 CCOCSC[C@@H](O)CC#N 62a_100000739092_100000001066 [0,2,0,0,0,0|1,0,1]=4 8089 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [0,2,0,0,0,0|2,0,0]=4 8090 B10R0.1 CCSCCNC(C)COC 2230a_100000106463_100000765312 [0,2,0,0,0,0|2,0,0]=4 8091 B10R0.1 CCSCCNC(C)COC 270004a_100000106463_100000749346 [0,2,0,0,0,0|2,0,0]=4 8092 B10R0.1 CCSCCNC(C)CSC 270004a_100000106463_100011216314 [0,2,0,0,0,0|2,0,0]=4 8093 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [0,2,0,0,0,0|2,0,0]=4 8094 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [0,2,0,0,0,0|2,0,0]=4 8095 B10R0.1 CCSCCN[C@H](C)COC 2230a_100000764878_100000757381 [0,2,0,0,0,0|2,0,0]=4 8096 B10R0.1 CCSCCOC(C)CCBr 34a_100012276601_100000757381 [0,2,0,0,0,0|2,0,0]=4 8097 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [0,2,0,0,0,0|2,0,0]=4 8098 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [0,2,0,0,0,0|2,0,0]=4 8099 B10R0.1 CCSCCOC(C)COC 34a_100000212035_100000765312 [0,2,0,0,0,0|2,0,0]=4 8100 B10R0.1 CCSCCOC(C)COC 7a_100000212035_100000765312 [0,2,0,0,0,0|2,0,0]=4 8101 B10R0.1 CCSCCO[C@H](C)COC 34a_100011934205_100000757381 [0,2,0,0,0,0|2,0,0]=4 8102 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [0,2,0,0,0,0|2,0,0]=4 8103 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [0,2,0,0,0,0|2,0,0]=4 8104 B10R0.1 CCSCCSC(C)COC 62a_100000757381_100000765312 [0,2,0,0,0,0|2,0,0]=4 8105 B10R0.1 CCSCCSC(C)COC 62a_100000765312_100000757381 [0,2,0,0,0,0|2,0,0]=4 8106 B10R0.1 CN(CCF)CCCCCO 2230a_100000722520_100011217306 [0,2,0,0,0,0|2,0,0]=4 8107 B10R0.1 CN(CCF)CCCCCO 269982a_100000722520_100011217306 [0,2,0,0,0,0|2,0,0]=4 8108 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [0,2,0,0,0,0|2,0,0]=4 8109 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [0,2,0,0,0,0|2,0,0]=4 8110 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,2,0,0,0,0|2,0,0]=4 8111 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,2,0,0,0,0|2,0,0]=4 8112 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,2,0,0,0,0|2,0,0]=4 8113 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,2,0,0,0,0|2,0,0]=4 8114 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [0,2,0,0,0,0|2,0,0]=4 8115 B10R0.1 CNCCCOC(C)COC 34a_100000213112_100000765312 [0,2,0,0,0,0|2,0,0]=4 8116 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|0,0,2]=4 8117 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|0,0,2]=4 8118 B10R0.1 COCC(C)NCCCCO 2230a_100000750430_100000765312 [0,2,0,0,0,0|2,0,0]=4 8119 B10R0.1 COCC(C)NCCCCO 270004a_100000750430_100000749346 [0,2,0,0,0,0|2,0,0]=4 8120 B10R0.1 COCC(C)NCCCCO 34a_100000750430_100000765312 [0,2,0,0,0,0|2,0,0]=4 8121 B10R0.1 COCC(C)NCCCSC 2230a_100000749238_100000765312 [0,2,0,0,0,0|2,0,0]=4 8122 B10R0.1 COCC(C)NCCCSC 270004a_100000749238_100000749346 [0,2,0,0,0,0|2,0,0]=4 8123 B10R0.1 COCC(C)OCCCCBr 34a_100011216708_100000765312 [0,2,0,0,0,0|2,0,0]=4 8124 B10R0.1 COCC(C)OCCCCCl 34a_100000210776_100000765312 [0,2,0,0,0,0|2,0,0]=4 8125 B10R0.1 COCC(C)OCCCCCl 7a_100000210776_100000765312 [0,2,0,0,0,0|2,0,0]=4 8126 B10R0.1 COCC(C)OCCCCF 34a_100011995726_100000765312 [0,2,0,0,0,0|2,0,0]=4 8127 B10R0.1 COCC(C)OCCCCF 7a_100011995726_100000765312 [0,2,0,0,0,0|2,0,0]=4 8128 B10R0.1 COCC(C)OCCCCI 34a_200012148704_100000765312 [0,2,0,0,0,0|2,0,0]=4 8129 B10R0.1 COCC(C)OCCCCN 34a_100000750430_100000765312 [0,2,0,0,0,0|2,0,0]=4 8130 B10R0.1 COCC(C)OCCCSC 34a_100000690336_100000765312 [0,2,0,0,0,0|2,0,0]=4 8131 B10R0.1 COCC(C)OCCCSC 7a_100000690336_100000765312 [0,2,0,0,0,0|2,0,0]=4 8132 B10R0.1 COCC(C)SCCCCF 62a_100000729493_100000765312 [0,2,0,0,0,0|2,0,0]=4 8133 B10R0.1 COCC(C)SCCCCF 62a_100000765312_100000729493 [0,2,0,0,0,0|2,0,0]=4 8134 B10R0.1 COCC(C)SCCCCO 62a_100000210776_100000765312 [0,2,0,0,0,0|2,0,0]=4 8135 B10R0.1 COCC(C)SCCCCO 62a_100000765312_100000210776 [0,2,0,0,0,0|2,0,0]=4 8136 B10R0.1 COCC(N)COCCCF 34a_100000724102_100011934791 [0,2,0,0,0,0|2,0,0]=4 8137 B10R0.1 COCC(N)COCCCO 34a_100000724102_100000230001 [0,2,0,0,0,0|2,0,0]=4 8138 B10R0.1 COCC(N)COCCSC 34a_100000724102_100000212216 [0,2,0,0,0,0|2,0,0]=4 8139 B10R0.1 COCC(O)CNCCC#N 2230a_100000756049_100011215226 [0,2,0,0,0,0|1,0,1]=4 8140 B10R0.1 COCC(O)CNCCCF 2230a_100000756049_100011934791 [0,2,0,0,0,0|1,0,0]=3 8141 B10R0.1 COCC(O)CNCCCF 34a_100000756049_100011934791 [0,2,0,0,0,0|1,0,0]=3 8142 B10R0.1 COCC(O)CNCCCF 34a_100015189416_100011215053 [0,2,0,0,0,0|1,0,0]=3 8143 B10R0.1 COCC(O)CNCCCO 2230a_100000756049_100000230001 [0,2,0,0,0,0|1,0,0]=3 8144 B10R0.1 COCC(O)CNCCCO 34a_100000756049_100000230001 [0,2,0,0,0,0|1,0,0]=3 8145 B10R0.1 COCC(O)CNCCSC 2230a_100000756049_100000751147 [0,2,0,0,0,0|1,0,0]=3 8146 B10R0.1 COCC(O)CNCCSC 34a_100000756049_100000212216 [0,2,0,0,0,0|1,0,0]=3 8147 B10R0.1 COCC(O)COCCCBr 34a_100011217188_100011215053 [0,2,0,0,0,0|1,0,0]=3 8148 B10R0.1 COCC(O)COCCCCl 34a_100000230001_100011215053 [0,2,0,0,0,0|1,0,0]=3 8149 B10R0.1 COCC(O)COCCCF 34a_100000759539_100011215053 [0,2,0,0,0,0|1,0,0]=3 8150 B10R0.1 COCC(O)COCCCN 34a_100000182051_100011215053 [0,2,0,0,0,0|1,0,0]=3 8151 B10R0.1 COCC(O)COCCON 34a_100000700252_100011215053 [0,2,0,0,0,0|2,0,0]=4 8152 B10R0.1 COCC(O)COCCSC 34a_100000230434_100011215053 [0,2,0,0,0,0|1,0,0]=3 8153 B10R0.1 COCC(O)COCCSC 7a_100000230434_100011215053 [0,2,0,0,0,0|1,0,0]=3 8154 B10R0.1 COCC(O)CSCCC#N 62a_100011215053_100011215226 [0,2,0,0,0,0|1,0,1]=4 8155 B10R0.1 COCC(O)CSCCC#N 62a_100011215226_100011215053 [0,2,0,0,0,0|1,0,1]=4 8156 B10R0.1 COCC(O)CSCCCF 62a_100011215053_100011934791 [0,2,0,0,0,0|1,0,0]=3 8157 B10R0.1 COCC(O)CSCCCF 62a_100011934791_100011215053 [0,2,0,0,0,0|1,0,0]=3 8158 B10R0.1 COCC(O)CSCCCO 62a_100011215043_100011215053 [0,2,0,0,0,0|1,0,0]=3 8159 B10R0.1 COCC(O)CSCCCO 62a_100011215053_100011215043 [0,2,0,0,0,0|1,0,0]=3 8160 B10R0.1 COCC(O)CSCCSC 62a_100000212216_100011215053 [0,2,0,0,0,0|1,0,0]=3 8161 B10R0.1 COCC(O)CSCCSC 62a_100011215053_100000751147 [0,2,0,0,0,0|1,0,0]=3 8162 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|0,0,2]=4 8163 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|0,0,2]=4 8164 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|0,0,2]=4 8165 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [0,2,0,0,0,0|2,0,0]=4 8166 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [0,2,0,0,0,0|2,0,0]=4 8167 B10R0.1 COCCCNC(C)CCO 34a_100150723488_100009893172 [0,2,0,0,0,0|2,0,0]=4 8168 B10R0.1 COCCCNC(C)COC 270004a_100150723488_100000749346 [0,2,0,0,0,0|2,0,0]=4 8169 B10R0.1 COCCCNC(C)COC 34a_100150723488_100000765312 [0,2,0,0,0,0|2,0,0]=4 8170 B10R0.1 COCCCNC(C)CSC 270004a_100150723488_100011216314 [0,2,0,0,0,0|2,0,0]=4 8171 B10R0.1 COCCCN[C@H](C)CCO 2230a_100000706166_100000740836 [0,2,0,0,0,0|2,0,0]=4 8172 B10R0.1 COCCCN[C@H](C)CCO 34a_100000706166_100000740836 [0,2,0,0,0,0|2,0,0]=4 8173 B10R0.1 COCCCN[C@H](C)COC 2230a_100000764878_100000740836 [0,2,0,0,0,0|2,0,0]=4 8174 B10R0.1 COCCCOC(C)CCBr 34a_100012276601_100000740836 [0,2,0,0,0,0|2,0,0]=4 8175 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [0,2,0,0,0,0|2,0,0]=4 8176 B10R0.1 COCCCOC(C)COC 34a_100000740835_100000765312 [0,2,0,0,0,0|2,0,0]=4 8177 B10R0.1 COCCCO[C@H](C)COC 34a_100011934205_100000740836 [0,2,0,0,0,0|2,0,0]=4 8178 B10R0.1 COCCCSC(C)CCO 62a_100000709357_100009893172 [0,2,0,0,0,0|2,0,0]=4 8179 B10R0.1 COCCCSC(C)CCO 62a_100009893172_100000709357 [0,2,0,0,0,0|2,0,0]=4 8180 B10R0.1 COCCCSC(C)COC 62a_100000709357_100000765312 [0,2,0,0,0,0|2,0,0]=4 8181 B10R0.1 COCCCSC(C)COC 62a_100000765312_100000709357 [0,2,0,0,0,0|2,0,0]=4 8182 B10R0.1 COCCNCC(O)COC 2230a_100000756049_100011201679 [0,2,0,0,0,0|1,0,0]=3 8183 B10R0.1 COCCNCC(O)COC 34a_100000756049_100011201679 [0,2,0,0,0,0|1,0,0]=3 8184 B10R0.1 COCCNC[C@@H](O)CC#N 2230a_100000209980_100000001066 [0,2,0,0,0,0|1,0,1]=4 8185 B10R0.1 COCCOCC(C)CCN 34a_106354213184_100011201679 [0,2,0,0,0,0|2,0,0]=4 8186 B10R0.1 COCCOCC(N)COC 34a_100000724102_100011201679 [0,2,0,0,0,0|2,0,0]=4 8187 B10R0.1 COCCOCC(O)COC 34a_100000210237_100011215053 [0,2,0,0,0,0|1,0,0]=3 8188 B10R0.1 COCCSCC(O)COC 62a_100000233755_100011215053 [0,2,0,0,0,0|1,0,0]=3 8189 B10R0.1 COCCSCC(O)COC 62a_100011215053_100000233755 [0,2,0,0,0,0|1,0,0]=3 8190 B10R0.1 COCCSC[C@@H](O)CC#N 62a_100000001066_100000233755 [0,2,0,0,0,0|1,0,1]=4 8191 B10R0.1 COCCSC[C@@H](O)CC#N 62a_100000233755_100000001066 [0,2,0,0,0,0|1,0,1]=4 8192 B10R0.1 COCN(C)CCCCCO 2230a_100000722520_100000766300 [0,2,0,0,0,0|2,0,0]=4 8193 B10R0.1 COCN(C)CCCCCO 269982a_100000722520_100000766300 [0,2,0,0,0,0|2,0,0]=4 8194 B10R0.1 COC[C@@H](C)NCCCCF 2230a_100000764878_100000729493 [0,2,0,0,0,0|2,0,0]=4 8195 B10R0.1 COC[C@@H](C)NCCCCO 2230a_100000764878_100000210776 [0,2,0,0,0,0|2,0,0]=4 8196 B10R0.1 COC[C@@H](C)OCCCCF 34a_100011934205_100000729493 [0,2,0,0,0,0|2,0,0]=4 8197 B10R0.1 COC[C@@H](C)OCCCCO 34a_100011934205_100011216708 [0,2,0,0,0,0|2,0,0]=4 8198 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|0,0,2]=4 8199 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|0,0,2]=4 8200 B10R0.1 CSCC(C)NCCCCO 270004a_100000750430_100011216314 [0,2,0,0,0,0|2,0,0]=4 8201 B10R0.1 CSCCCNC(C)CCO 2230a_100000749238_100009893172 [0,2,0,0,0,0|2,0,0]=4 8202 B10R0.1 CSCCCNC(C)CSC 270004a_100000749238_100011216314 [0,2,0,0,0,0|2,0,0]=4 8203 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [0,2,0,0,0,0|2,0,0]=4 8204 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [0,2,0,0,0,0|2,0,0]=4 8205 B10R0.1 CSCCNC[C@@H](O)CC#N 2230a_100020590264_100000001066 [0,2,0,0,0,0|1,0,1]=4 8206 B10R0.1 CSCCOCC(C)CCN 34a_106354213184_100000212216 [0,2,0,0,0,0|2,0,0]=4 8207 B10R0.1 CSCCOC[C@@H](O)CC#N 7a_100000230434_100000001066 [0,2,0,0,0,0|1,0,1]=4 8208 B10R0.1 CSCCSC[C@@H](O)CC#N 62a_100000001066_100000751147 [0,2,0,0,0,0|1,0,1]=4 8209 B10R0.1 CSCCSC[C@@H](O)CC#N 62a_100000212216_100000001066 [0,2,0,0,0,0|1,0,1]=4 8210 B10R0.1 CSCN(C)CCCCCO 2230a_100000722520_100011218213 [0,2,0,0,0,0|2,0,0]=4 8211 B10R0.1 CSCN(C)CCCCCO 269982a_100000722520_100011218213 [0,2,0,0,0,0|2,0,0]=4 8212 B10R0.1 C[C@H](CCO)NCCCCF 2230a_100000706166_100000729493 [0,2,0,0,0,0|2,0,0]=4 8213 B10R0.1 C[C@H](CCO)NCCCCF 34a_100000706166_100000729493 [0,2,0,0,0,0|2,0,0]=4 8214 B10R0.1 C[C@H](CCO)NCCCCO 2230a_100000706166_100000210776 [0,2,0,0,0,0|2,0,0]=4 8215 B10R0.1 C[C@H](CCO)NCCCCO 34a_100000706166_100011216708 [0,2,0,0,0,0|2,0,0]=4 8216 B10R0.1 N#CC[C@H](O)CNCCCF 2230a_100015189416_100000001066 [0,2,0,0,0,0|1,0,1]=4 8217 B10R0.1 N#CC[C@H](O)CSCCCF 62a_100000001066_100011934791 [0,2,0,0,0,0|1,0,1]=4 8218 B10R0.1 N#CC[C@H](O)CSCCCF 62a_100011934791_100000001066 [0,2,0,0,0,0|1,0,1]=4 8219 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100000001066_100011215043 [0,2,0,0,0,0|1,0,1]=4 8220 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100011215043_100000001066 [0,2,0,0,0,0|1,0,1]=4 8221 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|0,0,2]=4 8222 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|0,0,2]=4 8223 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|0,0,2]=4 8224 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|0,0,2]=4 8225 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|0,0,2]=4 8226 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|0,0,2]=4 8227 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,2,0,0,0,0|1,0,1]=4 8228 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,2,0,0,0,0|0,0,2]=4 8229 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,2,0,0,0,0|0,0,2]=4 8230 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,2,0,0,0,0|0,0,2]=4 8231 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,2,0,0,0,0|0,0,2]=4 8232 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,2,0,0,0,0|0,0,2]=4 8233 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|0,0,2]=4 8234 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|0,0,2]=4 8235 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|0,0,2]=4 8236 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [0,2,0,0,0,0|2,0,0]=4 8237 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [0,2,0,0,0,0|2,0,0]=4 8238 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [0,2,0,0,0,0|2,0,0]=4 8239 B10R0.2 CCCC(C)CN(C)CCO 2230a_100000210263_100011216630 [0,2,0,0,0,0|2,0,0]=4 8240 B10R0.2 CCCC(C)CN(C)CCO 269982a_100000210263_100011216630 [0,2,0,0,0,0|2,0,0]=4 8241 B10R0.2 CCCC(C)CN(C)CCO 270004a_100000210263_100000243154 [0,2,0,0,0,0|2,0,0]=4 8242 B10R0.2 CCCC(C)NC(C)CCC 2230a_100000741246_100000766640 [0,2,0,0,0,0|2,0,0]=4 8243 B10R0.2 CCCC(C)NC(C)CCC 270004a_100000741246_100000211909 [0,2,0,0,0,0|2,0,0]=4 8244 B10R0.2 CCCC(C)NC(C)CCO 2230a_100000741246_100009893172 [0,2,0,0,0,0|2,0,0]=4 8245 B10R0.2 CCCC(C)NC(C)COC 2230a_100000741246_100000765312 [0,2,0,0,0,0|2,0,0]=4 8246 B10R0.2 CCCC(C)NC(C)COC 270004a_100000741246_100000749346 [0,2,0,0,0,0|2,0,0]=4 8247 B10R0.2 CCCC(C)NC(C)CSC 270004a_100000741246_100011216314 [0,2,0,0,0,0|2,0,0]=4 8248 B10R0.2 CCCC(C)N[C@H](C)CCO 2230a_100000706166_100000766640 [0,2,0,0,0,0|2,0,0]=4 8249 B10R0.2 CCCC(C)N[C@H](C)CCO 270004a_100000706166_100000211909 [0,2,0,0,0,0|2,0,0]=4 8250 B10R0.2 CCCC(C)N[C@H](C)CCO 34a_100000706166_100000766640 [0,2,0,0,0,0|2,0,0]=4 8251 B10R0.2 CCCC(C)N[C@H](C)COC 2230a_100000764878_100000766640 [0,2,0,0,0,0|2,0,0]=4 8252 B10R0.2 CCCC(C)N[C@H](C)COC 270004a_100000764878_100000211909 [0,2,0,0,0,0|2,0,0]=4 8253 B10R0.2 CCCC(C)OC(C)CCBr 34a_100012276601_100000766640 [0,2,0,0,0,0|2,0,0]=4 8254 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [0,2,0,0,0,0|2,0,0]=4 8255 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [0,2,0,0,0,0|2,0,0]=4 8256 B10R0.2 CCCC(C)OC(C)CCO 34a_100000764384_100009893172 [0,2,0,0,0,0|2,0,0]=4 8257 B10R0.2 CCCC(C)OC(C)CCO 7a_100000764384_100009893172 [0,2,0,0,0,0|2,0,0]=4 8258 B10R0.2 CCCC(C)OC(C)COC 34a_100000764384_100000765312 [0,2,0,0,0,0|2,0,0]=4 8259 B10R0.2 CCCC(C)OC(C)COC 7a_100000764384_100000765312 [0,2,0,0,0,0|2,0,0]=4 8260 B10R0.2 CCCC(C)O[C@H](C)COC 34a_100011934205_100000766640 [0,2,0,0,0,0|2,0,0]=4 8261 B10R0.2 CCCC(C)SC(C)CCC 62a_100000766640_100000766640 [0,2,0,0,0,0|2,0,0]=4 8262 B10R0.2 CCCC(C)SC(C)CCO 62a_100000766640_100009893172 [0,2,0,0,0,0|2,0,0]=4 8263 B10R0.2 CCCC(C)SC(C)CCO 62a_100009893172_100000766640 [0,2,0,0,0,0|2,0,0]=4 8264 B10R0.2 CCCC(C)SC(C)COC 62a_100000765312_100000766640 [0,2,0,0,0,0|2,0,0]=4 8265 B10R0.2 CCCC(C)SC(C)COC 62a_100000766640_100000765312 [0,2,0,0,0,0|2,0,0]=4 8266 B10R0.2 CCCN(C)CC(O)COC 2230a_100000739405_100000210303 [0,2,0,0,0,0|1,0,0]=3 8267 B10R0.2 CCCN(C)CC(O)COC 269982a_100000739405_100000210303 [0,2,0,0,0,0|1,0,0]=3 8268 B10R0.2 CCCN(C)C[C@@H](O)CC#N 2230a_100000747261_100000001066 [0,2,0,0,0,0|1,0,1]=4 8269 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|1,0,1]=4 8270 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|1,0,1]=4 8271 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|1,0,1]=4 8272 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|1,0,1]=4 8273 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|1,0,1]=4 8274 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|1,0,1]=4 8275 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|1,0,1]=4 8276 B10R0.2 COCC(O)CN(C)CCF 2230a_100000739405_100011217306 [0,2,0,0,0,0|2,0,0]=4 8277 B10R0.2 COCC(O)CN(C)CCF 269982a_100000739405_100011217306 [0,2,0,0,0,0|2,0,0]=4 8278 B10R0.2 COCC(O)CN(C)CCO 2230a_100000739405_100000211926 [0,2,0,0,0,0|2,0,0]=4 8279 B10R0.2 COCC(O)CN(C)CCO 269982a_100000739405_100000211926 [0,2,0,0,0,0|2,0,0]=4 8280 B10R0.2 COCC(O)CN(C)COC 2230a_100000739405_100000766300 [0,2,0,0,0,0|2,0,0]=4 8281 B10R0.2 COCC(O)CN(C)COC 269982a_100000739405_100000766300 [0,2,0,0,0,0|2,0,0]=4 8282 B10R0.2 COCC(O)CN(C)CSC 2230a_100000739405_100011218213 [0,2,0,0,0,0|2,0,0]=4 8283 B10R0.2 COCC(O)CN(C)CSC 269982a_100000739405_100011218213 [0,2,0,0,0,0|2,0,0]=4 8284 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|0,0,2]=4 8285 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 8286 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,2,0,0,0,0|2,0,0]=4 8287 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 8288 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,2,0,0,0,0|2,0,0]=4 8289 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|0,0,2]=4 8290 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|0,0,2]=4 8291 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|0,0,2]=4 8292 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|0,0,2]=4 8293 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,2,0,0,0,0|0,0,2]=4 8294 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,2,0,0,0,0|0,0,2]=4 8295 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,2,0,0,0,0|0,0,2]=4 8296 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,2,0,0,0,0|0,0,2]=4 8297 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|0,0,2]=4 8298 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,2,0,0,0,0|0,0,2]=4 8299 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|0,0,2]=4 8300 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|0,0,2]=4 8301 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|0,0,2]=4 8302 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|0,0,2]=4 8303 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,0,0,0,0|1,0,1]=4 8304 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,0,0,0,0|1,0,1]=4 8305 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,0,0,0,0|1,0,1]=4 8306 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,0,0,0,0|1,0,1]=4 8307 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [0,2,0,0,0,0|1,0,0]=3 8308 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [0,2,0,0,0,0|1,0,0]=3 8309 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [0,2,0,0,0,0|1,0,0]=3 8310 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,2,0,0,0,0|1,0,0]=3 8311 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,2,0,0,0,0|1,0,0]=3 8312 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,2,0,0,0,0|1,0,0]=3 8313 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [0,2,0,0,0,0|1,0,0]=3 8314 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [0,2,0,0,0,0|1,0,0]=3 8315 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [0,2,0,0,0,0|2,0,0]=4 8316 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [0,2,0,0,0,0|2,0,0]=4 8317 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [0,2,0,0,0,0|2,0,0]=4 8318 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [0,2,0,0,0,0|2,0,0]=4 8319 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [0,2,0,0,0,0|2,0,0]=4 8320 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,2,0,0,0,0|2,0,0]=4 8321 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,2,0,0,0,0|2,0,0]=4 8322 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,2,0,0,0,0|2,0,0]=4 8323 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,2,0,0,0,0|2,0,0]=4 8324 B10R0.6 CCCCCN(C)CC(F)F 2230a_100000223495_100011934356 [0,2,0,0,0,0|2,0,0]=4 8325 B10R0.6 CCCCCN(C)CC(F)F 269982a_100000223495_100011934356 [0,2,0,0,0,0|2,0,0]=4 8326 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,2,0,0,0,0|2,0,0]=4 8327 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,2,0,0,0,0|2,0,0]=4 8328 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [0,2,0,0,0,0|2,0,0]=4 8329 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [0,2,0,0,0,0|2,0,0]=4 8330 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [0,2,0,0,0,0|2,0,0]=4 8331 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,2,0,0,0,0|2,0,0]=4 8332 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,2,0,0,0,0|2,0,0]=4 8333 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,2,0,0,0,0|2,0,0]=4 8334 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,2,0,0,0,0|2,0,0]=4 8335 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [0,2,0,0,0,0|2,0,0]=4 8336 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [0,2,0,0,0,0|2,0,0]=4 8337 B10R0.6 CCCCSC(C)CN(C)C 62a_100000210211_100020606517 [0,2,0,0,0,0|2,0,0]=4 8338 B10R0.6 CCCCSC(C)CN(C)C 62a_100020606517_100000210210 [0,2,0,0,0,0|2,0,0]=4 8339 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,2,0,0,0,0|1,0,1]=4 8340 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [0,2,0,0,0,0|2,0,0]=4 8341 B10R0.6 CCCSCC(C)CN(C)C 62a_100000210303_100015348159 [0,2,0,0,0,0|2,0,0]=4 8342 B10R0.6 CCCSCC(C)CN(C)C 62a_100015348159_100000210303 [0,2,0,0,0,0|2,0,0]=4 8343 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [0,2,0,0,0,0|2,0,0]=4 8344 B10R0.6 COCCCC(C)OC(C)C 34a_200011539412_100000210206 [0,2,0,0,0,0|2,0,0]=4 8345 B10R0.6 COCCCC(C)OC(C)C 7a_200011539412_100000210206 [0,2,0,0,0,0|2,0,0]=4 8346 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [0,2,0,0,0,0|1,0,1]=4 8347 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [0,2,0,0,0,0|1,0,1]=4 8348 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,2,0,0,0,0|1,0,1]=4 8349 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,2,0,0,0,0|1,0,1]=4 8350 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,2,0,0,0,0|1,0,1]=4 8351 B10R0.19 CCCCC(=O)C(C)CSC 1458a_100000753918_100000210211 [0,2,0,0,0,0|1,0,1]=4 8352 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,2,0,0,0,0|1,0,1]=4 8353 B10R0.19 CCCCC(=O)C(C)SCC 1458a_100000230601_100000210211 [0,2,0,0,0,0|1,0,1]=4 8354 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,2,0,0,0,0|0,0,1]=3 8355 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|0,0,2]=4 8356 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|0,0,2]=4 8357 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|0,0,2]=4 8358 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|0,0,2]=4 8359 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|0,0,2]=4 8360 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|0,0,2]=4 8361 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|0,0,2]=4 8362 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|0,0,2]=4 8363 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|0,0,2]=4 8364 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|0,0,2]=4 8365 B10R0.19 CCCCC(C)N(C)CCC 2230a_100000747261_200011215066 [0,2,0,0,0,0|2,0,0]=4 8366 B10R0.19 CCCCC(C)N(C)CCC 269982a_100000747261_200011215066 [0,2,0,0,0,0|2,0,0]=4 8367 B10R0.19 CCCCC(C)N(C)CCC 270004a_100000747261_100000210087 [0,2,0,0,0,0|2,0,0]=4 8368 B10R0.19 CCCCC(C)N(C)CCO 2230a_100000210263_200011215066 [0,2,0,0,0,0|2,0,0]=4 8369 B10R0.19 CCCCC(C)N(C)CCO 269982a_100000210263_200011215066 [0,2,0,0,0,0|2,0,0]=4 8370 B10R0.19 CCCCC(C)N(C)CCO 270004a_100000210263_100000210087 [0,2,0,0,0,0|2,0,0]=4 8371 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|0,0,2]=4 8372 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|0,0,2]=4 8373 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|0,0,2]=4 8374 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|0,0,2]=4 8375 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|0,0,2]=4 8376 B10R0.19 CCCCN(C)C(C)CCC 2230a_100000207549_100000766640 [0,2,0,0,0,0|2,0,0]=4 8377 B10R0.19 CCCCN(C)C(C)CCC 269982a_100000207549_100000766640 [0,2,0,0,0,0|2,0,0]=4 8378 B10R0.19 CCCCN(C)C(C)CCC 270004a_100000207549_100000211909 [0,2,0,0,0,0|2,0,0]=4 8379 B10R0.19 CCCCN(C)C(C)CCO 2230a_100000207549_100009893172 [0,2,0,0,0,0|2,0,0]=4 8380 B10R0.19 CCCCN(C)C(C)CCO 2230a_100000731037_100000210211 [0,2,0,0,0,0|2,0,0]=4 8381 B10R0.19 CCCCN(C)C(C)CCO 269982a_100000207549_100009893172 [0,2,0,0,0,0|2,0,0]=4 8382 B10R0.19 CCCCN(C)C(C)CCO 269982a_100000731037_100000210211 [0,2,0,0,0,0|2,0,0]=4 8383 B10R0.19 CCCCN(C)C(C)COC 2230a_100000207549_100000765312 [0,2,0,0,0,0|2,0,0]=4 8384 B10R0.19 CCCCN(C)C(C)COC 269982a_100000207549_100000765312 [0,2,0,0,0,0|2,0,0]=4 8385 B10R0.19 CCCCN(C)C(C)COC 270004a_100000207549_100000749346 [0,2,0,0,0,0|2,0,0]=4 8386 B10R0.19 CCCCN(C)C(C)CSC 270004a_100000207549_100011216314 [0,2,0,0,0,0|2,0,0]=4 8387 B10R0.19 CCCNC(=O)[C@@H](O)CCC 240690a_100020643023_100009822183 [0,2,0,0,0,0|1,0,1]=4 8388 B10R0.19 CCCNC(C)C(C)CCC 270004a_100020643023_100011216282 [0,2,0,0,0,0|2,0,0]=4 8389 B10R0.19 CCCOC(C)C(C)CCC 34a_100000708338_100000210303 [0,2,0,0,0,0|2,0,0]=4 8390 B10R0.19 CCCOC(C)C(C)CCC 7a_100000708338_100000210303 [0,2,0,0,0,0|2,0,0]=4 8391 B10R0.19 CCC[C@H](O)C(=O)CCCF 1458a_100009822183_100011934791 [0,2,0,0,0,0|1,0,1]=4 8392 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [0,2,0,0,0,0|1,0,1]=4 8393 B10R0.19 CCC[C@H](O)C(=O)CCOC 1458a_100009822183_100000233755 [0,2,0,0,0,0|1,0,1]=4 8394 B10R0.19 CCC[C@H](O)C(=O)CCSC 1458a_100009822183_100000751147 [0,2,0,0,0,0|1,0,1]=4 8395 B10R0.24 C#CC(CCC)OCCCC 34a_200011217317_100000210210 [0,2,0,0,0,0|2,0,0]=4 8396 B10R0.24 C#CC(CCC)OCCCC 7a_200011217317_100000210211 [0,2,0,0,0,0|2,0,0]=4 8397 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [0,2,0,0,0,0|1,0,0]=3 8398 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [0,2,0,0,0,0|1,0,0]=3 8399 B10R0.24 C#CC(CCCCC)OCF 34a_100011216489_100015361967 [0,2,0,0,0,0|0,0,2]=4 8400 B10R0.24 C#CC(CCCCC)OCF 7a_100011216489_100015361967 [0,2,0,0,0,0|0,0,2]=4 8401 B10R0.24 C#CCC(CC)OCCCC 34a_200011217983_100000210210 [0,2,0,0,0,0|2,0,0]=4 8402 B10R0.24 C#CCC(CC)OCCCC 7a_200011217983_100000210211 [0,2,0,0,0,0|2,0,0]=4 8403 B10R0.24 C#CCN(CC)CCCCC 2230a_100000744766_100000210326 [0,2,0,0,0,0|2,0,0]=4 8404 B10R0.24 C#CCN(CC)CCCCC 269982a_100000744766_100000210215 [0,2,0,0,0,0|2,0,0]=4 8405 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [0,2,0,0,0,0|2,0,0]=4 8406 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [0,2,0,0,0,0|2,0,0]=4 8407 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [0,2,0,0,0,0|1,0,0]=3 8408 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [0,2,0,0,0,0|1,0,0]=3 8409 B10R0.24 C=CC(CCCCC)OCF 34a_100011216863_100015361967 [0,2,0,0,0,0|0,0,2]=4 8410 B10R0.24 C=CC(CCCCC)OCF 7a_100011216863_100015361967 [0,2,0,0,0,0|0,0,2]=4 8411 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [0,2,0,0,0,0|0,0,1]=3 8412 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [0,2,0,0,0,0|0,0,1]=3 8413 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [0,2,0,0,0,0|0,0,1]=3 8414 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [0,2,0,0,0,0|0,0,1]=3 8415 B10R0.24 C=CC[C@H](CO)NCCCC 2230a_100020615467_100000210211 [0,2,0,0,0,0|1,0,1]=4 8416 B10R0.24 CC#CC(CC)OCCCC 34a_200011219922_100000210210 [0,2,0,0,0,0|2,0,0]=4 8417 B10R0.24 CC#CC(CC)OCCCC 7a_200011219922_100000210211 [0,2,0,0,0,0|2,0,0]=4 8418 B10R0.24 CCC(COC)NCCCF 2230a_100000757820_100011934791 [0,2,0,0,0,0|2,0,0]=4 8419 B10R0.24 CCC(COC)NCCCF 270004a_100015189416_100000757811 [0,2,0,0,0,0|2,0,0]=4 8420 B10R0.24 CCC(COC)NCCCO 2230a_100000757820_100000230001 [0,2,0,0,0,0|2,0,0]=4 8421 B10R0.24 CCC(COC)NCCCO 270004a_100000182051_100000757811 [0,2,0,0,0,0|2,0,0]=4 8422 B10R0.24 CCC(COC)NCCOC 2230a_100000757820_100011201679 [0,2,0,0,0,0|2,0,0]=4 8423 B10R0.24 CCC(COC)NCCOC 270004a_100000209980_100000757811 [0,2,0,0,0,0|2,0,0]=4 8424 B10R0.24 CCC(COC)NCCSC 2230a_100000757820_100000751147 [0,2,0,0,0,0|2,0,0]=4 8425 B10R0.24 CCC(COC)NCCSC 270004a_100020590264_100000757811 [0,2,0,0,0,0|2,0,0]=4 8426 B10R0.24 CCC(COC)OCCCF 7a_200011214946_100011934791 [0,2,0,0,0,0|2,0,0]=4 8427 B10R0.24 CCC(COC)OCCCO 7a_200011214946_100011215043 [0,2,0,0,0,0|2,0,0]=4 8428 B10R0.24 CCC(COC)OCCOC 7a_200011214946_100000233755 [0,2,0,0,0,0|2,0,0]=4 8429 B10R0.24 CCC(COC)OCCSC 7a_200011214946_100000212216 [0,2,0,0,0,0|2,0,0]=4 8430 B10R0.24 CCCC(CCOCC)SC 34a_100000032865_100000210202 [0,2,0,0,0,0|1,1,0]=4 8431 B10R0.24 CCCC(CCOCC)SC 7a_100000032865_100000210202 [0,2,0,0,0,0|1,1,0]=4 8432 B10R0.24 CCCCCC(CC)NCC 270004a_100015525214_100011215316 [0,2,0,0,0,0|1,0,0]=3 8433 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [0,2,0,0,0,0|0,0,0]=2 8434 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [0,2,0,0,0,0|0,0,0]=2 8435 B10R0.24 CCCCCC(CC)OCF 34a_100011215405_100015361967 [0,2,0,0,0,0|0,0,0]=2 8436 B10R0.24 CCCCCC(CC)OCF 7a_100011215405_100015361967 [0,2,0,0,0,0|0,0,0]=2 8437 B10R0.24 CCCCCC(CCC)NC 270004a_106832991635_200011216343 [0,2,0,0,0,0|1,0,0]=3 8438 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [0,2,0,0,0,0|0,0,0]=2 8439 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [0,2,0,0,0,0|0,0,0]=2 8440 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [0,2,0,0,0,0|0,0,0]=2 8441 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [0,2,0,0,0,0|0,0,0]=2 8442 B10R0.24 CCCCCN(CC)CCC 2230a_100000226822_100000210326 [0,2,0,0,0,0|2,0,0]=4 8443 B10R0.24 CCCCCN(CC)CCC 2230a_200000226819_100000210202 [0,2,0,0,0,0|2,0,0]=4 8444 B10R0.24 CCCCCN(CC)CCC 269982a_100000226822_100000210215 [0,2,0,0,0,0|2,0,0]=4 8445 B10R0.24 CCCCCN(CC)CCC 269982a_200000226819_100000204670 [0,2,0,0,0,0|2,0,0]=4 8446 B10R0.24 CCCCCN(CC)CCO 2230a_100000210973_100000210326 [0,2,0,0,0,0|1,0,0]=3 8447 B10R0.24 CCCCCN(CC)CCO 2230a_100000224656_100000210202 [0,2,0,0,0,0|1,0,0]=3 8448 B10R0.24 CCCCCN(CC)CCO 269982a_100000210973_100000210215 [0,2,0,0,0,0|1,0,0]=3 8449 B10R0.24 CCCCCN(CC)CCO 269982a_100000224656_100000204670 [0,2,0,0,0,0|1,0,0]=3 8450 B10R0.24 CCCCCN(CF)CCC 269982a_200000226819_100015361967 [0,2,0,0,0,0|2,0,0]=4 8451 B10R0.24 CCCCCN(CF)CCO 269982a_100000224656_100015361967 [0,2,0,0,0,0|2,0,0]=4 8452 B10R0.24 CCCCNC(CC)CCC 2230a_100000747048_100000210211 [0,2,0,0,0,0|2,0,0]=4 8453 B10R0.24 CCCCNC(CC)CCC 270004a_100000102301_100000687865 [0,2,0,0,0,0|2,0,0]=4 8454 B10R0.24 CCCCNC(CC)CCC 7a_106832991798_100011219200 [0,2,0,0,0,0|2,0,0]=4 8455 B10R0.24 CCCCNC(CC)COC 2230a_100000757820_100000210211 [0,2,0,0,0,0|1,0,0]=3 8456 B10R0.24 CCCCNC(CC)COC 270004a_100000102301_100000757811 [0,2,0,0,0,0|1,0,0]=3 8457 B10R0.24 CCCCNC(CO)COC 2230a_100000724102_100000210211 [0,2,0,0,0,0|1,0,0]=3 8458 B10R0.24 CCCCNC(CO)COC 34a_100000724102_100000210210 [0,2,0,0,0,0|1,0,0]=3 8459 B10R0.24 CCCCN[C@H](CC)CC#N 2230a_200009818565_100000210211 [0,2,0,0,0,0|2,0,0]=4 8460 B10R0.24 CCCCN[C@H](CO)CCC 2230a_100000732646_100000210211 [0,2,0,0,0,0|1,0,0]=3 8461 B10R0.24 CCCCN[C@H](CO)CCC 34a_100000732646_100000210210 [0,2,0,0,0,0|1,0,0]=3 8462 B10R0.24 CCCCOC(C#N)CCC 34a_100000686963_100000210210 [0,2,0,0,0,0|2,0,0]=4 8463 B10R0.24 CCCCOC(C#N)CCC 7a_100000686963_100000210211 [0,2,0,0,0,0|2,0,0]=4 8464 B10R0.24 CCCCOC(CC)CCC 34a_100000687864_100000210210 [0,2,0,0,0,0|2,0,0]=4 8465 B10R0.24 CCCCOC(CC)CCC 7a_100000210227_100011219200 [0,2,0,0,0,0|2,0,0]=4 8466 B10R0.24 CCCCOC(CC)CCC 7a_100000687864_100000210211 [0,2,0,0,0,0|2,0,0]=4 8467 B10R0.24 CCCCOC(CC)COC 7a_200011214946_100000210211 [0,2,0,0,0,0|1,0,0]=3 8468 B10R0.24 CCCCOC(CCl)COC 34a_100011215053_100000210210 [0,2,0,0,0,0|2,0,0]=4 8469 B10R0.24 CCCCOC(CN)COC 34a_100000756049_100000210210 [0,2,0,0,0,0|2,0,0]=4 8470 B10R0.24 CCCCSC(CC)CCC 62a_100000210211_100011219200 [0,2,0,0,0,0|2,0,0]=4 8471 B10R0.24 CCCCSC(CC)CCC 62a_100011219200_100000210210 [0,2,0,0,0,0|2,0,0]=4 8472 B10R0.24 CCCNCC(CC)OCC 2230a_100015183923_100000210303 [0,2,0,0,0,0|1,0,0]=3 8473 B10R0.24 CCCNCC(CC)OCC 34a_100015183923_100000210303 [0,2,0,0,0,0|1,0,0]=3 8474 B10R0.24 CCC[C@@H](CO)NCCCF 2230a_100000732646_100011934791 [0,2,0,0,0,0|2,0,0]=4 8475 B10R0.24 CCC[C@@H](CO)NCCCF 34a_100000732646_100011934791 [0,2,0,0,0,0|2,0,0]=4 8476 B10R0.24 CCC[C@@H](CO)NCCCO 2230a_100000732646_100000230001 [0,2,0,0,0,0|2,0,0]=4 8477 B10R0.24 CCC[C@@H](CO)NCCCO 34a_100000732646_100000230001 [0,2,0,0,0,0|2,0,0]=4 8478 B10R0.24 CCC[C@@H](CO)NCCOC 2230a_100000732646_100011201679 [0,2,0,0,0,0|2,0,0]=4 8479 B10R0.24 CCC[C@@H](CO)NCCOC 34a_100000732646_100011201679 [0,2,0,0,0,0|2,0,0]=4 8480 B10R0.24 CCC[C@@H](CO)NCCSC 2230a_100000732646_100000751147 [0,2,0,0,0,0|2,0,0]=4 8481 B10R0.24 CCC[C@@H](CO)NCCSC 34a_100000732646_100000212216 [0,2,0,0,0,0|2,0,0]=4 8482 B10R0.24 CCN(CCCCO)COC 2230a_100011217355_100000766300 [0,2,0,0,0,0|2,0,0]=4 8483 B10R0.24 CCN(CCCCO)COC 269982a_100011217355_100000766300 [0,2,0,0,0,0|2,0,0]=4 8484 B10R0.24 CCN(CCO)CCCCF 2230a_100000210973_100000729493 [0,2,0,0,0,0|2,0,0]=4 8485 B10R0.24 CCN(CCO)CCCCF 269982a_100000210973_100000729493 [0,2,0,0,0,0|2,0,0]=4 8486 B10R0.24 CCN(CCO)CCCCO 2230a_100000210973_100000210776 [0,2,0,0,0,0|2,0,0]=4 8487 B10R0.24 CCN(CCO)CCCCO 2230a_100011217355_100000211926 [0,2,0,0,0,0|2,0,0]=4 8488 B10R0.24 CCN(CCO)CCCCO 269982a_100000210973_100000210776 [0,2,0,0,0,0|2,0,0]=4 8489 B10R0.24 CCN(CCO)CCCCO 269982a_100011217355_100000211926 [0,2,0,0,0,0|2,0,0]=4 8490 B10R0.24 CCN(CCO)CCCOC 2230a_100000210973_100000740836 [0,2,0,0,0,0|2,0,0]=4 8491 B10R0.24 CCN(CCO)CCCOC 269982a_100000210973_100000740836 [0,2,0,0,0,0|2,0,0]=4 8492 B10R0.24 CCOC(CC)CNCCF 2230a_100015183923_100011217306 [0,2,0,0,0,0|2,0,0]=4 8493 B10R0.24 CCOC(CC)CNCCF 34a_100015183923_100011217306 [0,2,0,0,0,0|2,0,0]=4 8494 B10R0.24 CCOC(CC)CNCCO 2230a_100015183923_100000211926 [0,2,0,0,0,0|2,0,0]=4 8495 B10R0.24 CCOC(CC)CNCCO 34a_100015183923_100000211926 [0,2,0,0,0,0|2,0,0]=4 8496 B10R0.24 CCOC(CC)CNCOC 2230a_100015183923_100000766300 [0,2,0,0,0,0|2,0,0]=4 8497 B10R0.24 CCOC(CC)CNCSC 2230a_100015183923_100011218213 [0,2,0,0,0,0|2,0,0]=4 8498 B10R0.24 CCOC(CC)CNCSC 34a_100015183923_100011218213 [0,2,0,0,0,0|2,0,0]=4 8499 B10R0.24 CCOCCN(CC)CCO 2230a_100000210973_100011215890 [0,2,0,0,0,0|2,0,0]=4 8500 B10R0.24 CCOCCN(CC)CCO 269982a_100000210973_100011215890 [0,2,0,0,0,0|2,0,0]=4 8501 B10R0.24 CCSCCN(CC)CCO 2230a_100000210973_100000757381 [0,2,0,0,0,0|2,0,0]=4 8502 B10R0.24 CCSCCN(CC)CCO 269982a_100000210973_100000757381 [0,2,0,0,0,0|2,0,0]=4 8503 B10R0.24 COCC(CO)NCCCF 2230a_100000724102_100011934791 [0,2,0,0,0,0|2,0,0]=4 8504 B10R0.24 COCC(CO)NCCCF 34a_100000724102_100011934791 [0,2,0,0,0,0|2,0,0]=4 8505 B10R0.24 COCC(CO)NCCCO 2230a_100000724102_100000230001 [0,2,0,0,0,0|2,0,0]=4 8506 B10R0.24 COCC(CO)NCCCO 34a_100000724102_100000230001 [0,2,0,0,0,0|2,0,0]=4 8507 B10R0.24 COCC(CO)NCCSC 2230a_100000724102_100000751147 [0,2,0,0,0,0|2,0,0]=4 8508 B10R0.24 COCC(CO)NCCSC 34a_100000724102_100000212216 [0,2,0,0,0,0|2,0,0]=4 8509 B10R0.24 COCCNC(CO)COC 2230a_100000724102_100011201679 [0,2,0,0,0,0|2,0,0]=4 8510 B10R0.24 COCCNC(CO)COC 34a_100000724102_100011201679 [0,2,0,0,0,0|2,0,0]=4 8511 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [0,2,0,0,0,0|0,0,2]=4 8512 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [0,2,0,0,0,0|0,0,2]=4 8513 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|0,0,2]=4 8514 B10R0.83 C=CC(C)N(C)CCCCC 269982a_100000223495_100011215867 [0,2,0,0,0,0|2,0,0]=4 8515 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,2,0,0,0,0|0,0,2]=4 8516 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 34a_100015455354_100000210210 [0,2,0,0,0,0|2,0,0]=4 8517 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 7a_100015455354_100000210211 [0,2,0,0,0,0|2,0,0]=4 8518 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [0,2,0,0,0,0|0,0,2]=4 8519 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [0,2,0,0,0,0|0,0,2]=4 8520 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,2,0,0,0,0|1,0,1]=4 8521 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|1,0,1]=4 8522 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|1,0,1]=4 8523 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|1,0,1]=4 8524 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|1,0,1]=4 8525 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,2,0,0,0,0|1,0,1]=4 8526 B10R0.83 CCC(C)C(C)NCCCF 269862a_100015189416_100000210599 [0,2,0,0,0,0|2,0,0]=4 8527 B10R0.83 CCC(C)C(C)NCCCF 270004a_100015189416_100000210599 [0,2,0,0,0,0|2,0,0]=4 8528 B10R0.83 CCC(C)C(C)NCCCO 269862a_100000182051_100000210599 [0,2,0,0,0,0|2,0,0]=4 8529 B10R0.83 CCC(C)C(C)NCCCO 270004a_100000182051_100000210599 [0,2,0,0,0,0|2,0,0]=4 8530 B10R0.83 CCC(C)C(C)NCCOC 269862a_100000209980_100000210599 [0,2,0,0,0,0|2,0,0]=4 8531 B10R0.83 CCC(C)C(C)NCCOC 270004a_100000209980_100000210599 [0,2,0,0,0,0|2,0,0]=4 8532 B10R0.83 CCC(C)C(C)NCCSC 269862a_100020590264_100000210599 [0,2,0,0,0,0|2,0,0]=4 8533 B10R0.83 CCC(C)C(C)NCCSC 270004a_100020590264_100000210599 [0,2,0,0,0,0|2,0,0]=4 8534 B10R0.83 CCC(C)C(C)OCCCF 7a_100011215189_100011934791 [0,2,0,0,0,0|2,0,0]=4 8535 B10R0.83 CCC(C)C(C)OCCCO 7a_100011215189_100011215043 [0,2,0,0,0,0|2,0,0]=4 8536 B10R0.83 CCC(C)C(C)OCCOC 7a_100011215189_100000233755 [0,2,0,0,0,0|2,0,0]=4 8537 B10R0.83 CCC(C)C(C)OCCSC 7a_100011215189_100000212216 [0,2,0,0,0,0|2,0,0]=4 8538 B10R0.83 CCC(C)N(C)CCCCF 2230a_100000741768_100000729493 [0,2,0,0,0,0|2,0,0]=4 8539 B10R0.83 CCC(C)N(C)CCCCF 269982a_100000741768_100000729493 [0,2,0,0,0,0|2,0,0]=4 8540 B10R0.83 CCC(C)N(C)CCCCO 2230a_100000717598_100000758301 [0,2,0,0,0,0|2,0,0]=4 8541 B10R0.83 CCC(C)N(C)CCCCO 2230a_100000741768_100000210776 [0,2,0,0,0,0|2,0,0]=4 8542 B10R0.83 CCC(C)N(C)CCCCO 269982a_100000717598_100000758301 [0,2,0,0,0,0|2,0,0]=4 8543 B10R0.83 CCC(C)N(C)CCCCO 269982a_100000741768_100000210776 [0,2,0,0,0,0|2,0,0]=4 8544 B10R0.83 CCC(C)N(C)CCCOC 2230a_100000224831_100000758301 [0,2,0,0,0,0|2,0,0]=4 8545 B10R0.83 CCC(C)N(C)CCCOC 2230a_100000741768_100000740836 [0,2,0,0,0,0|2,0,0]=4 8546 B10R0.83 CCC(C)N(C)CCCOC 269982a_100000224831_100000758301 [0,2,0,0,0,0|2,0,0]=4 8547 B10R0.83 CCC(C)N(C)CCCOC 269982a_100000741768_100000740836 [0,2,0,0,0,0|2,0,0]=4 8548 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [0,2,0,0,0,0|0,0,2]=4 8549 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|0,0,1]=3 8550 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|0,0,1]=3 8551 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|0,0,1]=3 8552 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [0,2,0,0,0,0|1,0,1]=4 8553 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,2,0,0,0,0|1,0,1]=4 8554 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [0,2,0,0,0,0|1,0,1]=4 8555 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,2,0,0,0,0|1,0,1]=4 8556 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [0,2,0,0,0,0|0,0,2]=4 8557 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [0,2,0,0,0,0|0,0,2]=4 8558 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|1,0,0]=3 8559 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|1,0,0]=3 8560 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|0,0,2]=4 8561 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|0,0,2]=4 8562 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|0,0,0]=2 8563 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|1,0,0]=3 8564 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|0,0,2]=4 8565 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|0,0,2]=4 8566 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|0,0,2]=4 8567 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|0,0,2]=4 8568 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|1,0,0]=3 8569 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|1,0,0]=3 8570 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|1,0,1]=4 8571 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|1,0,1]=4 8572 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|1,0,1]=4 8573 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 8574 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 8575 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 8576 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [0,2,0,0,0,0|1,0,0]=3 8577 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [0,2,0,0,0,0|1,0,0]=3 8578 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|0,0,2]=4 8579 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|0,0,2]=4 8580 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|0,0,2]=4 8581 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|0,0,2]=4 8582 B10R0.83 CCCCCN(C)C(C)C#N 2230a_100000223495_100000184139 [0,2,0,0,0,0|2,0,0]=4 8583 B10R0.83 CCCCCN(C)C(C)C#N 269982a_100000223495_100000703298 [0,2,0,0,0,0|2,0,0]=4 8584 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [0,2,0,0,0,0|1,0,0]=3 8585 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [0,2,0,0,0,0|1,0,0]=3 8586 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [0,2,0,0,0,0|1,0,0]=3 8587 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [0,2,0,0,0,0|1,0,0]=3 8588 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000223495_100012180447 [0,2,0,0,0,0|2,0,0]=4 8589 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000693034_100000210326 [0,2,0,0,0,0|2,0,0]=4 8590 B10R0.83 CCCCCN(C)C(C)CO 269982a_100000693034_100000210215 [0,2,0,0,0,0|2,0,0]=4 8591 B10R0.83 CCCCCN(C)C(C)OC 269982a_100000223495_100009879195 [0,2,0,0,0,0|2,0,0]=4 8592 B10R0.83 CCCCCN(C)[C@H](C)CO 269982a_100000223495_100016084084 [0,2,0,0,0,0|2,0,0]=4 8593 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,2,0,0,0,0|1,0,1]=4 8594 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,2,0,0,0,0|1,0,1]=4 8595 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,2,0,0,0,0|1,0,1]=4 8596 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,2,0,0,0,0|1,0,1]=4 8597 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|0,0,1]=3 8598 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,2,0,0,0,0|1,0,1]=4 8599 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|0,0,2]=4 8600 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|0,0,2]=4 8601 B10R0.83 CCCCNC(C)C(C)CC 269862a_100000102301_100000210599 [0,2,0,0,0,0|1,0,0]=3 8602 B10R0.83 CCCCNC(C)C(C)CC 270004a_100000102301_100000210599 [0,2,0,0,0,0|1,0,0]=3 8603 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|0,0,2]=4 8604 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,2,0,0,0,0|1,0,0]=3 8605 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|0,0,2]=4 8606 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|0,0,2]=4 8607 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|0,0,2]=4 8608 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [0,2,0,0,0,0|1,0,1]=4 8609 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,2,0,0,0,0|1,0,1]=4 8610 B10R0.83 CCCOCC(C)N(C)CC 7a_100000732741_100000210303 [0,2,0,0,0,0|2,0,0]=4 8611 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,2,0,0,0,0|1,0,1]=4 8612 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,2,0,0,0,0|1,0,1]=4 8613 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,2,0,0,0,0|1,0,1]=4 8614 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|0,0,1]=3 8615 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|1,0,1]=4 8616 B10R0.83 CCOCCN(C)C(C)CC 2230a_100000741768_100011215890 [0,2,0,0,0,0|2,0,0]=4 8617 B10R0.83 CCOCCN(C)C(C)CC 269982a_100000741768_100011215890 [0,2,0,0,0,0|2,0,0]=4 8618 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,2,0,0,0,0|1,0,1]=4 8619 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,2,0,0,0,0|1,0,1]=4 8620 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|0,0,1]=3 8621 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|1,0,1]=4 8622 B10R0.83 CCSCCN(C)C(C)CC 2230a_100000741768_100000757381 [0,2,0,0,0,0|2,0,0]=4 8623 B10R0.83 CCSCCN(C)C(C)CC 269982a_100000741768_100000757381 [0,2,0,0,0,0|2,0,0]=4 8624 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|1,0,1]=4 8625 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,2,0,0,0,0|1,0,1]=4 8626 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,2,0,0,0,0|1,0,1]=4 8627 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,2,0,0,0,0|0,0,2]=4 8628 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,2,0,0,0,0|0,0,2]=4 8629 B10R0.91 C#CCCN(C)CCCCC 2230a_100000223495_100000688953 [0,2,0,0,0,0|2,0,0]=4 8630 B10R0.91 C#CCCN(C)CCCCC 269982a_100000223495_100000730999 [0,2,0,0,0,0|2,0,0]=4 8631 B10R0.91 C#CCNC(C)CCCCC 2230a_100000211957_100000038162 [0,2,0,0,0,0|1,0,1]=4 8632 B10R0.91 C#CCNC(C)CCCCC 34a_100000212058_200011218191 [0,2,0,0,0,0|1,0,1]=4 8633 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [0,2,0,0,0,0|1,0,1]=4 8634 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [0,2,0,0,0,0|1,0,1]=4 8635 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [0,2,0,0,0,0|1,0,1]=4 8636 B10R0.91 C#CCSC(C)CCCCC 62a_100000038162_200011218191 [0,2,0,0,0,0|1,0,1]=4 8637 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|0,0,2]=4 8638 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,2,0,0,0,0|2,0,0]=4 8639 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|0,0,2]=4 8640 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|0,0,2]=4 8641 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,2,0,0,0,0|2,0,0]=4 8642 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,2,0,0,0,0|2,0,0]=4 8643 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,2,0,0,0,0|2,0,0]=4 8644 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,2,0,0,0,0|2,0,0]=4 8645 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,2,0,0,0,0|2,0,0]=4 8646 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,2,0,0,0,0|2,0,0]=4 8647 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,2,0,0,0,0|2,0,0]=4 8648 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,2,0,0,0,0|1,0,1]=4 8649 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,2,0,0,0,0|1,0,1]=4 8650 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,2,0,0,0,0|1,0,1]=4 8651 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,2,0,0,0,0|1,0,1]=4 8652 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,2,0,0,0,0|1,0,1]=4 8653 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,2,0,0,0,0|1,0,1]=4 8654 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,2,0,0,0,0|1,0,1]=4 8655 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,2,0,0,0,0|1,0,1]=4 8656 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,2,0,0,0,0|0,0,2]=4 8657 B10R0.91 CC#CCN(C)CCCCC 2230a_100000223495_100000748600 [0,2,0,0,0,0|2,0,0]=4 8658 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|0,0,2]=4 8659 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|0,0,2]=4 8660 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,2,0,0,0,0|2,0,0]=4 8661 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,2,0,0,0,0|0,0,2]=4 8662 B10R0.91 CCC#CC(C)OCCCC 34a_100000033903_100000210210 [0,2,0,0,0,0|2,0,0]=4 8663 B10R0.91 CCC#CC(C)OCCCC 7a_100000033903_100000210211 [0,2,0,0,0,0|2,0,0]=4 8664 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|0,0,2]=4 8665 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,2,0,0,0,0|2,0,0]=4 8666 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,2,0,0,0,0|2,0,0]=4 8667 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [0,2,0,0,0,0|1,0,1]=4 8668 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,2,0,0,0,0|0,0,2]=4 8669 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,2,0,0,0,0|0,0,2]=4 8670 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|0,0,2]=4 8671 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|0,0,2]=4 8672 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|0,0,2]=4 8673 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|0,0,2]=4 8674 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|0,0,2]=4 8675 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|0,0,2]=4 8676 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|0,0,2]=4 8677 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|0,0,2]=4 8678 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,2,0,0,0,0|0,0,2]=4 8679 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|0,0,2]=4 8680 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|0,0,2]=4 8681 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,2,0,0,0,0|0,0,2]=4 8682 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,2,0,0,0,0|0,0,2]=4 8683 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,2,0,0,0,0|0,0,2]=4 8684 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,2,0,0,0,0|0,0,2]=4 8685 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,2,0,0,0,0|0,0,2]=4 8686 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 8687 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 8688 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 8689 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,2,0,0,0,0|0,0,2]=4 8690 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,2,0,0,0,0|0,0,2]=4 8691 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,2,0,0,0,0|0,0,2]=4 8692 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,2,0,0,0,0|0,0,2]=4 8693 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,2,0,0,0,0|0,0,2]=4 8694 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,2,0,0,0,0|0,0,2]=4 8695 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,2,0,0,0,0|0,0,2]=4 8696 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,2,0,0,0,0|0,0,2]=4 8697 B10R0.91 CCCCCC(C)NCC#N 2230a_100000211957_100011215382 [0,2,0,0,0,0|1,0,1]=4 8698 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,2,0,0,0,0|1,0,1]=4 8699 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,2,0,0,0,0|1,0,0]=3 8700 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,2,0,0,0,0|1,0,0]=3 8701 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [0,2,0,0,0,0|1,0,0]=3 8702 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [0,2,0,0,0,0|1,0,0]=3 8703 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,2,0,0,0,0|1,0,0]=3 8704 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,2,0,0,0,0|1,0,0]=3 8705 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,2,0,0,0,0|1,0,0]=3 8706 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,2,0,0,0,0|1,0,0]=3 8707 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,2,0,0,0,0|1,0,0]=3 8708 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [0,2,0,0,0,0|1,0,0]=3 8709 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [0,2,0,0,0,0|1,0,1]=4 8710 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,2,0,0,0,0|1,0,1]=4 8711 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,2,0,0,0,0|1,0,1]=4 8712 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,2,0,0,0,0|1,0,0]=3 8713 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,2,0,0,0,0|1,0,0]=3 8714 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,2,0,0,0,0|1,0,0]=3 8715 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,2,0,0,0,0|1,0,0]=3 8716 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,2,0,0,0,0|1,0,0]=3 8717 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,2,0,0,0,0|1,0,0]=3 8718 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,2,0,0,0,0|1,0,0]=3 8719 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,2,0,0,0,0|1,0,0]=3 8720 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,2,0,0,0,0|1,0,0]=3 8721 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,2,0,0,0,0|1,0,0]=3 8722 B10R0.91 CCCCCC(C)SCC#N 62a_100011215382_200011218191 [0,2,0,0,0,0|1,0,1]=4 8723 B10R0.91 CCCCCC(C)SCC#N 62a_200011218191_100011215382 [0,2,0,0,0,0|1,0,1]=4 8724 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,2,0,0,0,0|1,0,1]=4 8725 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,2,0,0,0,0|1,0,1]=4 8726 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,2,0,0,0,0|1,0,0]=3 8727 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,2,0,0,0,0|1,0,0]=3 8728 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [0,2,0,0,0,0|1,0,0]=3 8729 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [0,2,0,0,0,0|1,0,0]=3 8730 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,2,0,0,0,0|1,0,0]=3 8731 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,2,0,0,0,0|1,0,0]=3 8732 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,2,0,0,0,0|1,0,0]=3 8733 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,2,0,0,0,0|1,0,0]=3 8734 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [0,2,0,0,0,0|1,0,0]=3 8735 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [0,2,0,0,0,0|1,0,0]=3 8736 B10R0.91 CCCCCN(C)CCC#N 2230a_100000184479_100000210326 [0,2,0,0,0,0|2,0,0]=4 8737 B10R0.91 CCCCCN(C)CCC#N 2230a_100000223495_100011215226 [0,2,0,0,0,0|2,0,0]=4 8738 B10R0.91 CCCCCN(C)CCC#N 2230a_200000177445_200000210301 [0,2,0,0,0,0|2,0,0]=4 8739 B10R0.91 CCCCCN(C)CCC#N 269982a_100000223495_100011215226 [0,2,0,0,0,0|2,0,0]=4 8740 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [0,2,0,0,0,0|2,0,0]=4 8741 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [0,2,0,0,0,0|2,0,0]=4 8742 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [0,2,0,0,0,0|2,0,0]=4 8743 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [0,2,0,0,0,0|2,0,0]=4 8744 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [0,2,0,0,0,0|2,0,0]=4 8745 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [0,2,0,0,0,0|2,0,0]=4 8746 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,2,0,0,0,0|2,0,0]=4 8747 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,2,0,0,0,0|2,0,0]=4 8748 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,2,0,0,0,0|2,0,0]=4 8749 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,2,0,0,0,0|2,0,0]=4 8750 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,2,0,0,0,0|2,0,0]=4 8751 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,2,0,0,0,0|2,0,0]=4 8752 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,2,0,0,0,0|2,0,0]=4 8753 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,2,0,0,0,0|2,0,0]=4 8754 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [0,2,0,0,0,0|2,0,0]=4 8755 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [0,2,0,0,0,0|2,0,0]=4 8756 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [0,2,0,0,0,0|2,0,0]=4 8757 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [0,2,0,0,0,0|2,0,0]=4 8758 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [0,2,0,0,0,0|2,0,0]=4 8759 B10R0.91 CCCCCN([13CH3])CCC#N 2230a_200000177445_200025704644 [0,2,0,0,0,0|2,0,0]=4 8760 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [0,2,0,0,0,0|2,0,0]=4 8761 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [0,2,0,0,0,0|2,0,0]=4 8762 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [0,2,0,0,0,0|2,0,0]=4 8763 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [0,2,0,0,0,0|2,0,0]=4 8764 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [0,2,0,0,0,0|2,0,0]=4 8765 B10R0.91 CCCCNC(C)CCSC 270004a_100000102301_100011217047 [0,2,0,0,0,0|2,0,0]=4 8766 B10R0.91 CCCCNC(C)CSCC 270004a_100000102301_200011216171 [0,2,0,0,0,0|2,0,0]=4 8767 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,2,0,0,0,0|2,0,0]=4 8768 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,2,0,0,0,0|2,0,0]=4 8769 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,2,0,0,0,0|2,0,0]=4 8770 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,2,0,0,0,0|2,0,0]=4 8771 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [0,2,0,0,0,0|2,0,0]=4 8772 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [0,2,0,0,0,0|2,0,0]=4 8773 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [0,2,0,0,0,0|2,0,0]=4 8774 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [0,2,0,0,0,0|2,0,0]=4 8775 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [0,2,0,0,0,0|2,0,0]=4 8776 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [0,2,0,0,0,0|2,0,0]=4 8777 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,2,0,0,0,0|2,0,0]=4 8778 B10R0.91 CCCNC(C)CCCSC 270004a_100020643023_100011399439 [0,2,0,0,0,0|2,0,0]=4 8779 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [0,2,0,0,0,0|2,0,0]=4 8780 B10R0.91 CCCNC(C)CSCCC 270004a_100020643023_100011343953 [0,2,0,0,0,0|2,0,0]=4 8781 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [0,2,0,0,0,0|2,0,0]=4 8782 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [0,2,0,0,0,0|2,0,0]=4 8783 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [0,2,0,0,0,0|1,0,0]=3 8784 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [0,2,0,0,0,0|1,0,0]=3 8785 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [0,2,0,0,0,0|2,0,0]=4 8786 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [0,2,0,0,0,0|2,0,0]=4 8787 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [0,2,0,0,0,0|2,0,0]=4 8788 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [0,2,0,0,0,0|2,0,0]=4 8789 B10R0.91 CCCOC[C@@H](C)OCOC 34a_100016172286_100000210303 [0,2,0,0,0,0|2,0,0]=4 8790 B10R0.91 CCCOC[C@@H](C)OCOC 7a_100016172286_100000210303 [0,2,0,0,0,0|2,0,0]=4 8791 B10R0.91 CCCOC[C@@H](N)CCSC 34a_100011827619_100000210303 [0,2,0,0,0,0|2,0,0]=4 8792 B10R0.91 CCCSCC(C)NCCO 270004a_100000210304_100011343953 [0,2,0,0,0,0|2,0,0]=4 8793 B10R0.91 CCOCC(O)CNCCF 2230a_102515437182_100011217306 [0,2,0,0,0,0|2,0,0]=4 8794 B10R0.91 CCOCC(O)CNCCF 34a_102515437182_100011217306 [0,2,0,0,0,0|2,0,0]=4 8795 B10R0.91 CCOCC(O)CNCCO 2230a_102515437182_100000211926 [0,2,0,0,0,0|2,0,0]=4 8796 B10R0.91 CCOCC(O)CNCCO 34a_102515437182_100000211926 [0,2,0,0,0,0|2,0,0]=4 8797 B10R0.91 CCOCC(O)CNCOC 2230a_102515437182_100000766300 [0,2,0,0,0,0|2,0,0]=4 8798 B10R0.91 CCOCC(O)CNCSC 2230a_102515437182_100011218213 [0,2,0,0,0,0|2,0,0]=4 8799 B10R0.91 CCOCC(O)CNCSC 34a_102515437182_100011218213 [0,2,0,0,0,0|2,0,0]=4 8800 B10R0.91 CCOCCC(C)NCCO 270004a_100000210304_200011216536 [0,2,0,0,0,0|2,0,0]=4 8801 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [0,2,0,0,0,0|2,0,0]=4 8802 B10R0.91 COCCCC(C)OCCF 34a_200011539412_100011217306 [0,2,0,0,0,0|2,0,0]=4 8803 B10R0.91 COCCCC(C)OCCF 7a_200011539412_100011217306 [0,2,0,0,0,0|2,0,0]=4 8804 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [0,2,0,0,0,0|2,0,0]=4 8805 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [0,2,0,0,0,0|2,0,0]=4 8806 B10R0.91 COCCCC(C)OCSC 34a_200011539412_100011218213 [0,2,0,0,0,0|2,0,0]=4 8807 B10R0.91 CSCCCC(C)NCCO 270004a_100000210304_100011399439 [0,2,0,0,0,0|2,0,0]=4 8808 B10R0.91 NCCCC[C@H](N)COCF 34a_100016993712_100015361967 [0,2,0,0,0,0|2,0,0]=4 8809 B10R0.108 C#CCC(C)OCC(O)CC 34a_100000685586_100011218378 [0,2,0,0,0,0|0,0,2]=4 8810 B10R0.108 C#CCC(C)OCC(O)CC 7a_100000685586_100011218378 [0,2,0,0,0,0|0,0,2]=4 8811 B10R0.108 C/C=C/C(C)OCC(O)CC 34a_200102604097_100011218378 [0,2,0,0,0,0|0,0,2]=4 8812 B10R0.108 C=CC(O)CNC(C)CCC 2230a_100000741246_100000730141 [0,2,0,0,0,0|0,0,2]=4 8813 B10R0.108 C=CC(O)COC(C)CCC 34a_100000764384_100000730141 [0,2,0,0,0,0|0,0,2]=4 8814 B10R0.108 C=CC(O)COC(C)CCC 7a_100000764384_100000730141 [0,2,0,0,0,0|0,0,2]=4 8815 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000730141_100000766640 [0,2,0,0,0,0|0,0,2]=4 8816 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000766640_100000730141 [0,2,0,0,0,0|0,0,2]=4 8817 B10R0.108 C=CC[C@@H](C)OCC(O)CC 34a_100000731007_100011218378 [0,2,0,0,0,0|0,0,2]=4 8818 B10R0.108 C=CC[C@@H](C)OCC(O)CC 7a_100000731007_100011218378 [0,2,0,0,0,0|0,0,2]=4 8819 B10R0.108 CC#CC(C)OCC(O)CC 34a_100011216543_100011218378 [0,2,0,0,0,0|0,0,2]=4 8820 B10R0.108 CC(CCBr)OCC(O)CO 34a_100012276601_100011219619 [0,2,0,0,0,0|2,0,0]=4 8821 B10R0.108 CC(CCBr)OC[C@@H](O)CF 34a_100012276601_100015614560 [0,2,0,0,0,0|2,0,0]=4 8822 B10R0.108 CC(CCBr)OC[C@@H](O)CO 34a_100012276601_100009815848 [0,2,0,0,0,0|2,0,0]=4 8823 B10R0.108 CC(CCO)NC[C@H](O)CO 2230a_100020644852_100009893172 [0,2,0,0,0,0|2,0,0]=4 8824 B10R0.108 CC(CCO)SCC(O)CO 62a_100009893172_100011219619 [0,2,0,0,0,0|2,0,0]=4 8825 B10R0.108 CC(CCO)SCC(O)CO 62a_100011219619_100009893172 [0,2,0,0,0,0|2,0,0]=4 8826 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100009893172_100015614560 [0,2,0,0,0,0|2,0,0]=4 8827 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100015614560_100009893172 [0,2,0,0,0,0|2,0,0]=4 8828 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009815848_100009893172 [0,2,0,0,0,0|2,0,0]=4 8829 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009893172_100009815848 [0,2,0,0,0,0|2,0,0]=4 8830 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [0,2,0,0,0,0|1,0,1]=4 8831 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [0,2,0,0,0,0|1,0,1]=4 8832 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,2,0,0,0,0|0,0,2]=4 8833 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,2,0,0,0,0|0,0,2]=4 8834 B10R0.108 CCC(C)CCC(C)OCF 7a_200011216552_100015361967 [0,2,0,0,0,0|2,0,0]=4 8835 B10R0.108 CCC(C)CNC(C)CCO 2230a_100020588543_100009893172 [0,2,0,0,0,0|2,0,0]=4 8836 B10R0.108 CCC(C)CNC(C)COC 2230a_100020588543_100000765312 [0,2,0,0,0,0|2,0,0]=4 8837 B10R0.108 CCC(C)CNC(C)COC 270004a_100020588543_100000749346 [0,2,0,0,0,0|2,0,0]=4 8838 B10R0.108 CCC(C)CNC(C)CSC 270004a_100020588543_100011216314 [0,2,0,0,0,0|2,0,0]=4 8839 B10R0.108 CCC(C)CN[C@H](C)CCO 2230a_100000706166_100000748023 [0,2,0,0,0,0|2,0,0]=4 8840 B10R0.108 CCC(C)CN[C@H](C)CCO 270004a_100000706166_100000243153 [0,2,0,0,0,0|2,0,0]=4 8841 B10R0.108 CCC(C)CN[C@H](C)CCO 34a_100000706166_100000748023 [0,2,0,0,0,0|2,0,0]=4 8842 B10R0.108 CCC(C)CN[C@H](C)COC 2230a_100000764878_100000748023 [0,2,0,0,0,0|2,0,0]=4 8843 B10R0.108 CCC(C)CN[C@H](C)COC 270004a_100000764878_100000243153 [0,2,0,0,0,0|2,0,0]=4 8844 B10R0.108 CCC(C)COC(C)CCBr 34a_100012276601_100000748023 [0,2,0,0,0,0|2,0,0]=4 8845 B10R0.108 CCC(C)CO[C@H](C)COC 34a_100011934205_100000748023 [0,2,0,0,0,0|2,0,0]=4 8846 B10R0.108 CCC(C)CSC(C)CCO 62a_100000748023_100009893172 [0,2,0,0,0,0|2,0,0]=4 8847 B10R0.108 CCC(C)CSC(C)CCO 62a_100009893172_100000748023 [0,2,0,0,0,0|2,0,0]=4 8848 B10R0.108 CCC(C)CSC(C)COC 62a_100000748023_100000765312 [0,2,0,0,0,0|2,0,0]=4 8849 B10R0.108 CCC(C)CSC(C)COC 62a_100000765312_100000748023 [0,2,0,0,0,0|2,0,0]=4 8850 B10R0.108 CCC(C)NCC(O)COC 2230a_100000756049_100000758301 [0,2,0,0,0,0|1,0,0]=3 8851 B10R0.108 CCC(C)NCC(O)COC 34a_100000756049_100011215416 [0,2,0,0,0,0|1,0,0]=3 8852 B10R0.108 CCC(C)NC[C@@H](O)CC#N 2230a_100000209981_100000001066 [0,2,0,0,0,0|1,0,1]=4 8853 B10R0.108 CCC(C)OCC(C)CCN 34a_106354213184_100011215416 [0,2,0,0,0,0|2,0,0]=4 8854 B10R0.108 CCC(C)OCC(N)COC 34a_100000724102_100011215416 [0,2,0,0,0,0|2,0,0]=4 8855 B10R0.108 CCC(C)OCC(O)COC 7a_100000210228_100011215053 [0,2,0,0,0,0|1,0,0]=3 8856 B10R0.108 CCC(C)OC[C@@H](O)CC#N 7a_100000210228_100000001066 [0,2,0,0,0,0|1,0,1]=4 8857 B10R0.108 CCC(C)SCC(O)COC 62a_100000758301_100011215053 [0,2,0,0,0,0|1,0,0]=3 8858 B10R0.108 CCC(C)SCC(O)COC 62a_100011215053_100000758301 [0,2,0,0,0,0|1,0,0]=3 8859 B10R0.108 CCC(C)SC[C@@H](O)CC#N 62a_100000001066_100000758301 [0,2,0,0,0,0|1,0,1]=4 8860 B10R0.108 CCC(C)SC[C@@H](O)CC#N 62a_100000758301_100000001066 [0,2,0,0,0,0|1,0,1]=4 8861 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,2,0,0,0,0|1,0,1]=4 8862 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,2,0,0,0,0|1,0,1]=4 8863 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,2,0,0,0,0|1,0,1]=4 8864 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,2,0,0,0,0|1,0,1]=4 8865 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,2,0,0,0,0|1,0,1]=4 8866 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [0,2,0,0,0,0|1,0,1]=4 8867 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [0,2,0,0,0,0|1,0,1]=4 8868 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [0,2,0,0,0,0|1,0,1]=4 8869 B10R0.108 CCC(O)CNC(C)CC#N 2230a_100011218483_100009813641 [0,2,0,0,0,0|1,0,1]=4 8870 B10R0.108 CCC(O)CNC(C)CCO 2230a_100011218483_100009893172 [0,2,0,0,0,0|1,0,0]=3 8871 B10R0.108 CCC(O)CNC(C)COC 2230a_100011218483_100000765312 [0,2,0,0,0,0|1,0,0]=3 8872 B10R0.108 CCC(O)CNC(C)COC 270004a_100011218483_100000749346 [0,2,0,0,0,0|1,0,0]=3 8873 B10R0.108 CCC(O)CNC(C)CSC 270004a_100011218483_100011216314 [0,2,0,0,0,0|1,0,0]=3 8874 B10R0.108 CCC(O)CN[C@@H](C)CC#N 2230a_100016994482_100011218378 [0,2,0,0,0,0|1,0,1]=4 8875 B10R0.108 CCC(O)CN[C@H](C)CCO 2230a_100000706166_100011218378 [0,2,0,0,0,0|1,0,0]=3 8876 B10R0.108 CCC(O)CN[C@H](C)CCO 34a_100000706166_100011218378 [0,2,0,0,0,0|1,0,0]=3 8877 B10R0.108 CCC(O)CN[C@H](C)COC 2230a_100000764878_100011218378 [0,2,0,0,0,0|1,0,0]=3 8878 B10R0.108 CCC(O)COC(C)CCBr 34a_100012276601_100011218378 [0,2,0,0,0,0|1,0,0]=3 8879 B10R0.108 CCC(O)CO[C@H](C)COC 34a_100011934205_100011218378 [0,2,0,0,0,0|1,0,0]=3 8880 B10R0.108 CCC(O)CSC(C)CC#N 62a_100009813641_100011218378 [0,2,0,0,0,0|1,0,1]=4 8881 B10R0.108 CCC(O)CSC(C)CC#N 62a_100011218378_100009813641 [0,2,0,0,0,0|1,0,1]=4 8882 B10R0.108 CCC(O)CSC(C)CCO 62a_100009893172_100011218378 [0,2,0,0,0,0|1,0,0]=3 8883 B10R0.108 CCC(O)CSC(C)CCO 62a_100011218378_100009893172 [0,2,0,0,0,0|1,0,0]=3 8884 B10R0.108 CCC(O)CSC(C)COC 62a_100000765312_100011218378 [0,2,0,0,0,0|1,0,0]=3 8885 B10R0.108 CCC(O)CSC(C)COC 62a_100011218378_100000765312 [0,2,0,0,0,0|1,0,0]=3 8886 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|1,0,0]=3 8887 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,2,0,0,0,0|2,0,0]=4 8888 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,2,0,0,0,0|1,0,1]=4 8889 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,2,0,0,0,0|1,0,1]=4 8890 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,2,0,0,0,0|1,0,1]=4 8891 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,2,0,0,0,0|1,0,1]=4 8892 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,2,0,0,0,0|1,0,1]=4 8893 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,2,0,0,0,0|1,0,1]=4 8894 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,2,0,0,0,0|1,0,1]=4 8895 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,2,0,0,0,0|1,0,1]=4 8896 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,2,0,0,0,0|1,0,1]=4 8897 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,2,0,0,0,0|0,0,1]=3 8898 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,2,0,0,0,0|0,0,1]=3 8899 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,2,0,0,0,0|0,0,1]=3 8900 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,2,0,0,0,0|1,0,1]=4 8901 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,2,0,0,0,0|1,0,1]=4 8902 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [0,2,0,0,0,0|2,0,0]=4 8903 B10R0.108 CCCC(C)CNC(C)CC 2230a_100000209981_100011216630 [0,2,0,0,0,0|1,0,0]=3 8904 B10R0.108 CCCC(C)CNC(C)CC 270004a_100000209981_100000243154 [0,2,0,0,0,0|1,0,0]=3 8905 B10R0.108 CCCC(C)CN[C@H](C)CF 270004a_100102880703_100000243154 [0,2,0,0,0,0|2,0,0]=4 8906 B10R0.108 CCCC(C)CN[C@H](C)CO 2230a_100000737577_100011216630 [0,2,0,0,0,0|2,0,0]=4 8907 B10R0.108 CCCC(C)CN[C@H](C)CO 270004a_100000737577_100000243154 [0,2,0,0,0,0|2,0,0]=4 8908 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [0,2,0,0,0,0|1,0,0]=3 8909 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [0,2,0,0,0,0|1,0,0]=3 8910 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [0,2,0,0,0,0|1,0,0]=3 8911 B10R0.108 CCCC(C)COC(C)CF 34a_100016041109_100011216630 [0,2,0,0,0,0|2,0,0]=4 8912 B10R0.108 CCCC(C)COC(C)CF 7a_100016041109_100011216630 [0,2,0,0,0,0|2,0,0]=4 8913 B10R0.108 CCCC(C)COC(C)CN 34a_100000210904_100011216630 [0,2,0,0,0,0|2,0,0]=4 8914 B10R0.108 CCCC(C)COC(C)CO 34a_100000688023_100012180447 [0,2,0,0,0,0|2,0,0]=4 8915 B10R0.108 CCCC(C)COC(C)CO 7a_100000688023_100012180447 [0,2,0,0,0,0|2,0,0]=4 8916 B10R0.108 CCCC(C)CSC(C)CC 62a_100000758301_100011216630 [0,2,0,0,0,0|1,0,0]=3 8917 B10R0.108 CCCC(C)CSC(C)CC 62a_100011216630_100000758301 [0,2,0,0,0,0|1,0,0]=3 8918 B10R0.108 CCCC(C)CSC(C)CO 62a_100012180447_100011216630 [0,2,0,0,0,0|2,0,0]=4 8919 B10R0.108 CCCC(C)CSC(C)OC 62a_100009879195_100011216630 [0,2,0,0,0,0|2,0,0]=4 8920 B10R0.108 CCCC(C)CSC(C)OC 62a_100011216630_100009879195 [0,2,0,0,0,0|2,0,0]=4 8921 B10R0.108 CCCC(C)CS[C@H](C)CO 62a_100011216630_100016084084 [0,2,0,0,0,0|2,0,0]=4 8922 B10R0.108 CCCC(C)CS[C@H](C)CO 62a_100016084084_100011216630 [0,2,0,0,0,0|2,0,0]=4 8923 B10R0.108 CCCC(C)NCC(C)CC 2230a_100000741246_100000748023 [0,2,0,0,0,0|1,0,0]=3 8924 B10R0.108 CCCC(C)NCC(C)CC 2230a_100020588543_100000766640 [0,2,0,0,0,0|1,0,0]=3 8925 B10R0.108 CCCC(C)NCC(C)CC 270004a_100000741246_100000243153 [0,2,0,0,0,0|1,0,0]=3 8926 B10R0.108 CCCC(C)NCC(C)CC 270004a_100020588543_100000211909 [0,2,0,0,0,0|1,0,0]=3 8927 B10R0.108 CCCC(C)NCC(C)CO 34a_100000744482_100000766640 [0,2,0,0,0,0|2,0,0]=4 8928 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [0,2,0,0,0,0|0,0,0]=2 8929 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [0,2,0,0,0,0|0,0,0]=2 8930 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [0,2,0,0,0,0|0,0,0]=2 8931 B10R0.108 CCCC(C)NCC(O)CO 2230a_100000741246_100011219619 [0,2,0,0,0,0|1,0,0]=3 8932 B10R0.108 CCCC(C)NC[C@@H](C)CC 2230a_100000741246_100009816398 [0,2,0,0,0,0|1,0,0]=3 8933 B10R0.108 CCCC(C)NC[C@@H](C)CO 2230a_100000741246_100000059175 [0,2,0,0,0,0|2,0,0]=4 8934 B10R0.108 CCCC(C)NC[C@@H](C)OC 2230a_100020591295_100000766640 [0,2,0,0,0,0|2,0,0]=4 8935 B10R0.108 CCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000211909 [0,2,0,0,0,0|2,0,0]=4 8936 B10R0.108 CCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000211909 [0,2,0,0,0,0|2,0,0]=4 8937 B10R0.108 CCCC(C)NC[C@@H](F)CO 34a_100015665980_100000766640 [0,2,0,0,0,0|2,0,0]=4 8938 B10R0.108 CCCC(C)NC[C@@H](O)CF 2230a_100000741246_100015614560 [0,2,0,0,0,0|1,0,0]=3 8939 B10R0.108 CCCC(C)NC[C@@H](O)CO 2230a_100000741246_100009815848 [0,2,0,0,0,0|1,0,0]=3 8940 B10R0.108 CCCC(C)NC[C@H](O)CO 2230a_100020644852_100000766640 [0,2,0,0,0,0|1,0,0]=3 8941 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,2,0,0,0,0|0,0,2]=4 8942 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,2,0,0,0,0|0,0,2]=4 8943 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [0,2,0,0,0,0|1,0,0]=3 8944 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [0,2,0,0,0,0|1,0,0]=3 8945 B10R0.108 CCCC(C)OCC(C)CN 34a_100000744482_100000766640 [0,2,0,0,0,0|2,0,0]=4 8946 B10R0.108 CCCC(C)OCC(C)OC 34a_100000690652_100000766640 [0,2,0,0,0,0|2,0,0]=4 8947 B10R0.108 CCCC(C)OCC(Cl)CCl 34a_100000033668_100000766640 [0,2,0,0,0,0|2,0,0]=4 8948 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [0,2,0,0,0,0|0,0,0]=2 8949 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [0,2,0,0,0,0|0,0,0]=2 8950 B10R0.108 CCCC(C)OCC(O)CO 34a_100000764384_100011219619 [0,2,0,0,0,0|1,0,0]=3 8951 B10R0.108 CCCC(C)OCC(O)CO 7a_100000764384_100011219619 [0,2,0,0,0,0|1,0,0]=3 8952 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [0,2,0,0,0,0|1,0,0]=3 8953 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [0,2,0,0,0,0|1,0,0]=3 8954 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [0,2,0,0,0,0|1,0,0]=3 8955 B10R0.108 CCCC(C)OC[C@@H](C)CO 34a_100000764384_100000059175 [0,2,0,0,0,0|2,0,0]=4 8956 B10R0.108 CCCC(C)OC[C@@H](C)CO 7a_100000764384_100000059175 [0,2,0,0,0,0|2,0,0]=4 8957 B10R0.108 CCCC(C)OC[C@@H](O)CF 34a_100000764384_100015614560 [0,2,0,0,0,0|1,0,0]=3 8958 B10R0.108 CCCC(C)OC[C@@H](O)CF 7a_100000764384_100015614560 [0,2,0,0,0,0|1,0,0]=3 8959 B10R0.108 CCCC(C)OC[C@@H](O)CO 34a_100000764384_100009815848 [0,2,0,0,0,0|1,0,0]=3 8960 B10R0.108 CCCC(C)OC[C@@H](O)CO 7a_100000764384_100009815848 [0,2,0,0,0,0|1,0,0]=3 8961 B10R0.108 CCCC(C)OC[C@H](F)CN 34a_100015665980_100000766640 [0,2,0,0,0,0|2,0,0]=4 8962 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,2,0,0,0,0|0,0,2]=4 8963 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,2,0,0,0,0|0,0,2]=4 8964 B10R0.108 CCCC(C)SCC(C)CC 62a_100000748023_100000766640 [0,2,0,0,0,0|1,0,0]=3 8965 B10R0.108 CCCC(C)SCC(C)CC 62a_100000766640_100000748023 [0,2,0,0,0,0|1,0,0]=3 8966 B10R0.108 CCCC(C)SCC(O)CC 62a_100000766640_100011218378 [0,2,0,0,0,0|0,0,0]=2 8967 B10R0.108 CCCC(C)SCC(O)CC 62a_100011218378_100000766640 [0,2,0,0,0,0|0,0,0]=2 8968 B10R0.108 CCCC(C)SCC(O)CO 62a_100000766640_100011219619 [0,2,0,0,0,0|1,0,0]=3 8969 B10R0.108 CCCC(C)SCC(O)CO 62a_100011219619_100000766640 [0,2,0,0,0,0|1,0,0]=3 8970 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100000766640_100009816398 [0,2,0,0,0,0|1,0,0]=3 8971 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100009816398_100000766640 [0,2,0,0,0,0|1,0,0]=3 8972 B10R0.108 CCCC(C)SC[C@@H](C)CO 62a_100000059175_100000766640 [0,2,0,0,0,0|2,0,0]=4 8973 B10R0.108 CCCC(C)SC[C@@H](C)CO 62a_100000766640_100000059175 [0,2,0,0,0,0|2,0,0]=4 8974 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100000766640_100015614560 [0,2,0,0,0,0|1,0,0]=3 8975 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100015614560_100000766640 [0,2,0,0,0,0|1,0,0]=3 8976 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100000766640_100009815848 [0,2,0,0,0,0|1,0,0]=3 8977 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100009815848_100000766640 [0,2,0,0,0,0|1,0,0]=3 8978 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [0,2,0,0,0,0|1,0,0]=3 8979 B10R0.108 CCC[C@H](N)COC(C)CO 34a_100000732646_100012180447 [0,2,0,0,0,0|2,0,0]=4 8980 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,2,0,0,0,0|0,0,2]=4 8981 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,2,0,0,0,0|0,0,2]=4 8982 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,2,0,0,0,0|0,0,2]=4 8983 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|0,0,1]=3 8984 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,2,0,0,0,0|1,0,1]=4 8985 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,2,0,0,0,0|1,0,1]=4 8986 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,2,0,0,0,0|1,0,1]=4 8987 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,2,0,0,0,0|1,0,1]=4 8988 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,2,0,0,0,0|1,0,0]=3 8989 B10R0.108 CC[C@H](C)CN[C@H](C)CCO 2230a_100000706166_100009816398 [0,2,0,0,0,0|2,0,0]=4 8990 B10R0.108 CC[C@H](C)CN[C@H](C)CCO 34a_100000706166_100009816398 [0,2,0,0,0,0|2,0,0]=4 8991 B10R0.108 CC[C@H](C)CN[C@H](C)COC 2230a_100000764878_100009816398 [0,2,0,0,0,0|2,0,0]=4 8992 B10R0.108 CC[C@H](C)COC(C)CCBr 34a_100012276601_100009816398 [0,2,0,0,0,0|2,0,0]=4 8993 B10R0.108 CC[C@H](C)COC(C)CCO 7a_100009816381_100009893172 [0,2,0,0,0,0|2,0,0]=4 8994 B10R0.108 CC[C@H](C)COC(C)COC 7a_100009816381_100000765312 [0,2,0,0,0,0|2,0,0]=4 8995 B10R0.108 CC[C@H](C)CO[C@H](C)COC 34a_100011934205_100009816398 [0,2,0,0,0,0|2,0,0]=4 8996 B10R0.108 CC[C@H](C)CSC(C)CCO 62a_100009816398_100009893172 [0,2,0,0,0,0|2,0,0]=4 8997 B10R0.108 CC[C@H](C)CSC(C)CCO 62a_100009893172_100009816398 [0,2,0,0,0,0|2,0,0]=4 8998 B10R0.108 CC[C@H](C)CSC(C)COC 62a_100000765312_100009816398 [0,2,0,0,0,0|2,0,0]=4 8999 B10R0.108 CC[C@H](C)CSC(C)COC 62a_100009816398_100000765312 [0,2,0,0,0,0|2,0,0]=4 9000 B10R0.108 COCC(C)NC[C@H](O)CO 2230a_100020644852_100000765312 [0,2,0,0,0,0|2,0,0]=4 9001 B10R0.108 COCC(C)SCC(O)CO 62a_100000765312_100011219619 [0,2,0,0,0,0|2,0,0]=4 9002 B10R0.108 COCC(C)SCC(O)CO 62a_100011219619_100000765312 [0,2,0,0,0,0|2,0,0]=4 9003 B10R0.108 COCC(C)SC[C@@H](O)CF 62a_100000765312_100015614560 [0,2,0,0,0,0|2,0,0]=4 9004 B10R0.108 COCC(C)SC[C@@H](O)CF 62a_100015614560_100000765312 [0,2,0,0,0,0|2,0,0]=4 9005 B10R0.108 COCC(C)SC[C@@H](O)CO 62a_100000765312_100009815848 [0,2,0,0,0,0|2,0,0]=4 9006 B10R0.108 COCC(C)SC[C@@H](O)CO 62a_100009815848_100000765312 [0,2,0,0,0,0|2,0,0]=4 9007 B10R0.108 COCC(O)CNC(C)CO 2230a_100000756049_100012180447 [0,2,0,0,0,0|2,0,0]=4 9008 B10R0.108 COCC(O)CNC(C)CO 34a_100000756049_100012180447 [0,2,0,0,0,0|2,0,0]=4 9009 B10R0.108 COCC(O)COC(C)CF 34a_100016041109_100011215053 [0,2,0,0,0,0|2,0,0]=4 9010 B10R0.108 COCC(O)COC(C)CF 7a_100016041109_100011215053 [0,2,0,0,0,0|2,0,0]=4 9011 B10R0.108 COCC(O)COC(C)CN 34a_100000210904_100011215053 [0,2,0,0,0,0|2,0,0]=4 9012 B10R0.108 COCC(O)CSC(C)CO 62a_100012180447_100011215053 [0,2,0,0,0,0|2,0,0]=4 9013 B10R0.108 COCC(O)CSC(C)OC 62a_100009879195_100011215053 [0,2,0,0,0,0|2,0,0]=4 9014 B10R0.108 COCC(O)CSC(C)OC 62a_100011215053_100009879195 [0,2,0,0,0,0|2,0,0]=4 9015 B10R0.108 COCC(O)CS[C@H](C)CO 62a_100011215053_100016084084 [0,2,0,0,0,0|2,0,0]=4 9016 B10R0.108 COCC(O)CS[C@H](C)CO 62a_100016084084_100011215053 [0,2,0,0,0,0|2,0,0]=4 9017 B10R0.108 COC[C@@H](C)NCC(O)CO 2230a_100000764878_100011219619 [0,2,0,0,0,0|2,0,0]=4 9018 B10R0.108 COC[C@@H](C)NC[C@@H](O)CF 2230a_100000764878_100015614560 [0,2,0,0,0,0|2,0,0]=4 9019 B10R0.108 COC[C@@H](C)NC[C@@H](O)CO 2230a_100000764878_100009815848 [0,2,0,0,0,0|2,0,0]=4 9020 B10R0.108 COC[C@@H](C)OCC(O)CO 34a_100011934205_100011219619 [0,2,0,0,0,0|2,0,0]=4 9021 B10R0.108 COC[C@@H](C)OC[C@@H](O)CF 34a_100011934205_100015614560 [0,2,0,0,0,0|2,0,0]=4 9022 B10R0.108 COC[C@@H](C)OC[C@@H](O)CO 34a_100011934205_100009815848 [0,2,0,0,0,0|2,0,0]=4 9023 B10R0.108 C[C@H](CCO)NCC(O)CO 2230a_100000706166_100011219619 [0,2,0,0,0,0|2,0,0]=4 9024 B10R0.108 C[C@H](CCO)NCC(O)CO 34a_100000706166_100011219619 [0,2,0,0,0,0|2,0,0]=4 9025 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 2230a_100000706166_100015614560 [0,2,0,0,0,0|2,0,0]=4 9026 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 34a_100000706166_100015614560 [0,2,0,0,0,0|2,0,0]=4 9027 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 2230a_100000706166_100009815848 [0,2,0,0,0,0|2,0,0]=4 9028 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 34a_100000706166_100009815848 [0,2,0,0,0,0|2,0,0]=4 9029 B10R0.156 CCCCCS(=O)(=O)NCC 270084a_100015525214_100000753860 [0,2,0,0,0,0|1,0,1]=4 9030 B10R0.156 CCCCCS(=O)(=O)NCC 274078a_100015525214_100000753860 [0,2,0,0,0,0|1,0,1]=4 9031 B10R0.156 CCCCNC(C)(C)COC 2230a_100000752728_100000210211 [0,2,0,0,0,0|2,0,0]=4 9032 B10R0.156 CCCCNC(C)(C)CSC 2230a_100000759623_100000210211 [0,2,0,0,0,0|2,0,0]=4 9033 B10R0.156 CCCCNC(C)(C)CSC 7a_100000759623_100000210211 [0,2,0,0,0,0|2,0,0]=4 9034 B10R0.156 CCCCOC(C)(C)CCBr 7a_100000702414_100000210211 [0,2,0,0,0,0|2,0,0]=4 9035 B10R0.156 CCCCOC(C)(C)CCC 7a_100000748436_100000210211 [0,2,0,0,0,0|2,0,0]=4 9036 B10R0.156 CCCNCC(C)(C)COC 2230a_100000734190_100000210303 [0,2,0,0,0,0|2,0,0]=4 9037 B10R0.156 CCCOCC(C)(C)CCC 7a_100011995695_100000210303 [0,2,0,0,0,0|2,0,0]=4 9038 B10R0.156 CCCOCC(C)(C)NCC 7a_100000747347_100000210303 [0,2,0,0,0,0|2,0,0]=4 9039 B10R0.21 CCC(OC)C(=O)CCCF 1458a_100000747056_100011934791 [0,2,0,0,0,0|1,0,1]=4 9040 B10R0.21 CCC(OC)C(=O)CCCO 1458a_100000747056_100011215043 [0,2,0,0,0,0|1,0,1]=4 9041 B10R0.21 CCC(OC)C(=O)CCOC 1458a_100000747056_100000233755 [0,2,0,0,0,0|1,0,1]=4 9042 B10R0.21 CCC(OC)C(=O)CCSC 1458a_100000747056_100000751147 [0,2,0,0,0,0|1,0,1]=4 9043 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000210183_100000210505 [0,2,0,0,0,0|1,0,1]=4 9044 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000211163_100000210211 [0,2,0,0,0,0|1,0,1]=4 9045 B10R0.21 CCCCC(=O)C(CC)OC 1458a_100000747056_100000210211 [0,2,0,0,0,0|0,0,1]=3 9046 B10R0.21 CCCCC(=O)C(OC)OC 1458a_100000046285_100000210211 [0,2,0,0,0,0|1,0,1]=4 9047 B10R0.21 CCCCC(C)N(CC)CC 2230a_100000724800_200011215066 [0,2,0,0,0,0|2,0,0]=4 9048 B10R0.21 CCCCC(C)N(CC)CC 269956a_100000042499_200011215066 [0,2,0,0,0,0|2,0,0]=4 9049 B10R0.21 CCCCC(C)N(CC)CC 269982a_100000724800_200011215066 [0,2,0,0,0,0|2,0,0]=4 9050 B10R0.21 CCCCC(C)N(CC)CC 270004a_100000724800_100000210087 [0,2,0,0,0,0|2,0,0]=4 9051 B10R0.21 CCCCN(C)C(CC)CC 2230a_100000737045_100000210211 [0,2,0,0,0,0|2,0,0]=4 9052 B10R0.21 CCCCN(C)C(CC)CC 269982a_100000207549_100000210505 [0,2,0,0,0,0|2,0,0]=4 9053 B10R0.21 CCCCN(C)C(CC)CC 269982a_100000737045_100000210211 [0,2,0,0,0,0|2,0,0]=4 9054 B10R0.21 CCCCN(C)C(CC)CC 270004a_100000207549_100000210860 [0,2,0,0,0,0|2,0,0]=4 9055 B10R0.21 CCCNC(=O)C(CC)OC 11a_100020643023_100000747056 [0,2,0,0,0,0|1,0,1]=4 9056 B10R0.21 CCCNC(=O)C(CC)OC 1626a_100020643023_100000747056 [0,2,0,0,0,0|1,0,1]=4 9057 B10R0.21 CCCNC(=O)C(CC)OC 240690a_100020643023_100000747056 [0,2,0,0,0,0|1,0,1]=4 9058 B10R0.21 CCCNC(=O)C(CC)OC 527a_100020643023_100000747056 [0,2,0,0,0,0|1,0,1]=4 9059 B10R0.21 CCCNC(C)C(CC)CC 269862a_100020643023_100011393642 [0,2,0,0,0,0|2,0,0]=4 9060 B10R0.21 CCCNC(C)C(CC)CC 270004a_100020643023_100011393642 [0,2,0,0,0,0|2,0,0]=4 9061 B10R0.21 CCCNC(C)C(OC)OC 270004a_100020643023_100000211384 [0,2,0,0,0,0|2,0,0]=4 9062 B10R0.21 CCCOC(C)C(OC)OC 34a_100000210258_100011222894 [0,2,0,0,0,0|2,0,0]=4 9063 B10R0.21 CCCOC(C)C(OC)OC 34a_100000754440_100000210303 [0,2,0,0,0,0|2,0,0]=4 9064 B10R0.21 CCCOC(C)C(OC)OC 7a_100000754440_100000210303 [0,2,0,0,0,0|2,0,0]=4 9065 B10R0.21 CCCSC(C)C(OC)OC 62a_100000210303_100011222894 [0,2,0,0,0,0|2,0,0]=4 9066 B10R0.21 CCCSC(C)C(OC)OC 62a_100011222894_100000210303 [0,2,0,0,0,0|2,0,0]=4 9067 B10R0.35 CCC(O)C(=O)C(C)CCO 1458a_100011196387_100009893172 [0,2,0,0,0,0|1,0,1]=4 9068 B10R0.35 CCC(O)C(=O)C(C)COC 1458a_100011196387_100000765312 [0,2,0,0,0,0|1,0,1]=4 9069 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,2,0,0,0,0|1,0,1]=4 9070 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100000210906_100000758301 [0,2,0,0,0,0|1,0,1]=4 9071 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100011192722_100000766640 [0,2,0,0,0,0|1,0,1]=4 9072 B10R0.35 CCCC(C)C(=O)C(O)CC 1458a_100011196387_100000766640 [0,2,0,0,0,0|0,0,1]=3 9073 B10R0.35 CCCC(C)C(=O)C(O)CO 1458a_100011215603_100000766640 [0,2,0,0,0,0|1,0,1]=4 9074 B10R0.35 CCCC(C)N(C)C(C)CC 2230a_100000741768_100000766640 [0,2,0,0,0,0|2,0,0]=4 9075 B10R0.35 CCCC(C)N(C)C(C)CC 269982a_100000741768_100000766640 [0,2,0,0,0,0|2,0,0]=4 9076 B10R0.35 CCCC(C)N(C)C(C)CC 270004a_100000741768_100000211909 [0,2,0,0,0,0|2,0,0]=4 9077 B10R0.35 CCCN(C)C(=O)C(O)CC 240690a_100000747261_100011196387 [0,2,0,0,0,0|1,0,1]=4 9078 B10R0.35 CCCN(C)C(C)C(C)CC 270004a_100000747261_100000210599 [0,2,0,0,0,0|2,0,0]=4 9079 B10R0.35 CCC[C@H](O)C(=O)C(C)CC 1458a_100009822183_100000758301 [0,2,0,0,0,0|1,0,1]=4 9080 B10R0.35 CCOC(C)C(C)C(C)CC 7a_200011290770_100000210202 [0,2,0,0,0,0|2,0,0]=4 9081 B10R0.40 CCC(C)(O)C(=O)CCCF 1458a_100011219770_100011934791 [0,2,0,0,0,0|1,0,1]=4 9082 B10R0.40 CCC(C)(O)C(=O)CCCO 1458a_100011219770_100011215043 [0,2,0,0,0,0|1,0,1]=4 9083 B10R0.40 CCC(C)(O)C(=O)CCOC 1458a_100011219770_100000233755 [0,2,0,0,0,0|1,0,1]=4 9084 B10R0.40 CCC(C)(O)C(=O)CCSC 1458a_100011219770_100000751147 [0,2,0,0,0,0|1,0,1]=4 9085 B10R0.40 CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210211 [0,2,0,0,0,0|1,0,1]=4 9086 B10R0.40 CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210211 [0,2,0,0,0,0|0,0,1]=3 9087 B10R0.40 CCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210211 [0,2,0,0,0,0|1,0,1]=4 9088 B10R0.40 CCCCN(C)C(C)(C)CC 2230a_200000755171_100000210211 [0,2,0,0,0,0|2,0,0]=4 9089 B10R0.40 CCCCN(C)C(C)(C)CC 269982a_100000207549_100000032637 [0,2,0,0,0,0|2,0,0]=4 9090 B10R0.40 CCCCN(C)C(C)(C)CC 269982a_200000755171_100000210211 [0,2,0,0,0,0|2,0,0]=4 9091 B10R0.40 CCCNC(=O)C(C)(O)CC 240690a_100020643023_100011219770 [0,2,0,0,0,0|1,0,1]=4 9092 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [0,2,0,0,0,0|0,0,2]=4 9093 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [0,2,0,0,0,0|1,0,1]=4 9094 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [0,2,0,0,0,0|1,0,1]=4 9095 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [0,2,0,0,0,0|1,0,1]=4 9096 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,2,0,0,0,0|0,0,1]=3 9097 B10R0.46 CCC(C)CC(=O)C(O)CO 1458a_100011215603_100000748023 [0,2,0,0,0,0|1,0,1]=4 9098 B10R0.46 CCC(C)CN(C)C(C)CC 2230a_100000741768_100000748023 [0,2,0,0,0,0|2,0,0]=4 9099 B10R0.46 CCC(C)CN(C)C(C)CC 2230a_100000753921_100000758301 [0,2,0,0,0,0|2,0,0]=4 9100 B10R0.46 CCC(C)CN(C)C(C)CC 269982a_100000741768_100000748023 [0,2,0,0,0,0|2,0,0]=4 9101 B10R0.46 CCC(C)CN(C)C(C)CC 269982a_100000753921_100000758301 [0,2,0,0,0,0|2,0,0]=4 9102 B10R0.46 CCC(C)CN(C)C(C)CC 270004a_100000741768_100000243153 [0,2,0,0,0,0|2,0,0]=4 9103 B10R0.46 CCC(C)N(C)CC(O)CO 2230a_100000741768_100011219619 [0,2,0,0,0,0|2,0,0]=4 9104 B10R0.46 CCC(C)N(C)CC(O)CO 2230a_100011216503_100000758301 [0,2,0,0,0,0|2,0,0]=4 9105 B10R0.46 CCC(C)N(C)CC(O)CO 269982a_100011216503_100000758301 [0,2,0,0,0,0|2,0,0]=4 9106 B10R0.46 CCC(C)N(C)C[C@@H](C)CC 2230a_100000741768_100009816398 [0,2,0,0,0,0|2,0,0]=4 9107 B10R0.46 CCC(C)N(C)C[C@@H](C)CC 269982a_100000741768_100009816398 [0,2,0,0,0,0|2,0,0]=4 9108 B10R0.46 CCC(C)N(C)C[C@@H](O)CF 2230a_100000741768_100015614560 [0,2,0,0,0,0|2,0,0]=4 9109 B10R0.46 CCC(C)N(C)C[C@@H](O)CO 2230a_100000741768_100009815848 [0,2,0,0,0,0|2,0,0]=4 9110 B10R0.46 CCC(C)NC(=O)C(O)CC 240690a_100000209981_100011196387 [0,2,0,0,0,0|1,0,1]=4 9111 B10R0.46 CCC(C)NC(C)C(C)CC 269862a_100000209981_100000210599 [0,2,0,0,0,0|2,0,0]=4 9112 B10R0.46 CCC(C)NC(C)C(C)CC 270004a_100000209981_100000210599 [0,2,0,0,0,0|2,0,0]=4 9113 B10R0.46 CCC(C)OC(C)C(C)CC 7a_100011215189_100000758301 [0,2,0,0,0,0|2,0,0]=4 9114 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,2,0,0,0,0|0,0,1]=3 9115 B10R0.46 CCC(O)C(=O)C[C@@H](C)CO 1458a_100011196387_100000059175 [0,2,0,0,0,0|1,0,1]=4 9116 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,2,0,0,0,0|0,0,1]=3 9117 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,2,0,0,0,0|0,0,1]=3 9118 B10R0.46 CCC(O)CC(=O)C(C)OC 1458a_100000743197_100011218378 [0,2,0,0,0,0|1,0,1]=4 9119 B10R0.46 CCC(O)CC(=O)C(C)SC 1458a_100000149566_100011218378 [0,2,0,0,0,0|1,0,1]=4 9120 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,2,0,0,0,0|0,0,1]=3 9121 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [0,2,0,0,0,0|1,0,1]=4 9122 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [0,2,0,0,0,0|1,0,1]=4 9123 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [0,2,0,0,0,0|1,0,1]=4 9124 B10R0.46 CCC(O)CN(C)C(C)CC 2230a_100000741768_100011218378 [0,2,0,0,0,0|1,0,0]=3 9125 B10R0.46 CCC(O)CN(C)C(C)CC 269982a_100000741768_100011218378 [0,2,0,0,0,0|1,0,0]=3 9126 B10R0.46 CCC(O)CN(C)C(C)CO 2230a_100000693034_100011218378 [0,2,0,0,0,0|2,0,0]=4 9127 B10R0.46 CCC(O)CN(C)C(C)CO 269982a_100000693034_100011218378 [0,2,0,0,0,0|2,0,0]=4 9128 B10R0.46 CC[C@H](C)CC(=O)C(O)CO 1458a_100011215603_100009816398 [0,2,0,0,0,0|1,0,1]=4 9129 B10R0.81 CC(C)[C@@H](O)C(=O)CCCF 1458a_100000691806_100011934791 [0,2,0,0,0,0|1,0,1]=4 9130 B10R0.81 CC(C)[C@@H](O)C(=O)CCCO 1458a_100000691806_100011215043 [0,2,0,0,0,0|1,0,1]=4 9131 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,2,0,0,0,0|1,0,1]=4 9132 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,2,0,0,0,0|0,0,1]=3 9133 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000210198_200011215066 [0,2,0,0,0,0|0,0,2]=4 9134 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000725509_100000210206 [0,2,0,0,0,0|0,0,2]=4 9135 B10R0.81 CCCCC(C)C(=O)C(C)F 1458a_100000062450_200011215066 [0,2,0,0,0,0|0,0,2]=4 9136 B10R0.81 CCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011215066 [0,2,0,0,0,0|0,0,2]=4 9137 B10R0.81 CCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011215066 [0,2,0,0,0,0|0,0,2]=4 9138 B10R0.81 CCCCC(C)N(C)C(C)C 269982a_200000211004_200011215066 [0,2,0,0,0,0|2,0,0]=4 9139 B10R0.81 CCCCC(C)N(C)C(C)C 270004a_200000211004_100000210087 [0,2,0,0,0,0|2,0,0]=4 9140 B10R0.81 CCCCC(O)C(=O)C(C)C 1458a_100000720857_100000210206 [0,2,0,0,0,0|0,0,2]=4 9141 B10R0.81 CCCCN(C)C(C)C(C)C 2230a_100000228512_100000210211 [0,2,0,0,0,0|2,0,0]=4 9142 B10R0.81 CCCCN(C)C(C)C(C)C 269982a_100000228512_100000210211 [0,2,0,0,0,0|2,0,0]=4 9143 B10R0.81 CCCNC(=O)[C@H](O)C(C)C 240690a_100020643023_100000691806 [0,2,0,0,0,0|1,0,1]=4 9144 B10R0.81 COCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000233755 [0,2,0,0,0,0|1,0,1]=4 9145 B10R0.81 CSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000751147 [0,2,0,0,0,0|1,0,1]=4 9146 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,2,0,0,0,0|0,0,2]=4 9147 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,2,0,0,0,0|0,0,2]=4 9148 B10R0.85 CCCCC(CC)C(C)OC 34a_200011290779_200000210301 [0,2,0,0,0,0|2,0,0]=4 9149 B10R0.85 CCCCC(CC)C(C)OC 7a_200011290779_200000210301 [0,2,0,0,0,0|2,0,0]=4 9150 B10R0.85 CCCCC(CC)C(C)O[13CH3] 34a_200011290779_200025704644 [0,2,0,0,0,0|2,0,0]=4 9151 B10R0.85 CCCCC(CC)C(C)O[13CH3] 7a_200011290779_200025704644 [0,2,0,0,0,0|2,0,0]=4 9152 B10R0.85 CCCCC(CC)N(C)CC 269982a_100000225621_200011216223 [0,2,0,0,0,0|2,0,0]=4 9153 B10R0.85 CCCCN(CC)C(C)CC 2230a_100000207357_100000210202 [0,2,0,0,0,0|2,0,0]=4 9154 B10R0.85 CCCCN(CC)C(C)CC 2230a_100000207695_100000758301 [0,2,0,0,0,0|2,0,0]=4 9155 B10R0.85 CCCCN(CC)C(C)CC 2230a_100000732650_100000210211 [0,2,0,0,0,0|2,0,0]=4 9156 B10R0.85 CCCCN(CC)C(C)CC 269982a_100000207357_100000204670 [0,2,0,0,0,0|2,0,0]=4 9157 B10R0.85 CCCCN(CC)C(C)CC 269982a_100000207695_100000758301 [0,2,0,0,0,0|2,0,0]=4 9158 B10R0.85 CCCCN(CC)C(C)CC 269982a_100000732650_100000210211 [0,2,0,0,0,0|2,0,0]=4 9159 B10R0.85 CCCCN(CF)C(C)CC 269982a_100000207357_100015361967 [0,2,0,0,0,0|2,0,0]=4 9160 B10R0.85 CCCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210303 [0,2,0,0,0,0|2,0,0]=4 9161 B10R0.124 CCCCC(C)(C)C(=O)CC 1458a_100011216040_100000210202 [0,2,0,0,0,0|0,0,2]=4 9162 B10R0.124 CCCCC(C)(O)C(=O)CC 1458a_100000137666_100000210202 [0,2,0,0,0,0|0,0,2]=4 9163 B10R0.124 CCCCC(F)(F)C(=O)CC 1458a_100000100317_100000210202 [0,2,0,0,0,0|0,0,2]=4 9164 B10R0.7 CCC(C)(O)CC(=O)CCF 1458a_200011219800_100011217306 [0,2,0,0,0,0|1,0,1]=4 9165 B10R0.7 CCC(C)(O)CC(=O)CCO 1458a_200011219800_100000211926 [0,2,0,0,0,0|1,0,1]=4 9166 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [0,2,0,0,0,0|1,0,1]=4 9167 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [0,2,0,0,0,0|0,0,1]=3 9168 B10R0.7 CCCC(C)NC(C)(C)CC 2230a_100000211385_100000766640 [0,2,0,0,0,0|2,0,0]=4 9169 B10R0.7 CCCC(C)NC(C)(C)CC 270004a_100000211385_100000211909 [0,2,0,0,0,0|2,0,0]=4 9170 B10R0.7 CCCC(C)OC(C)(C)CC 7a_100000210230_100000766640 [0,2,0,0,0,0|2,0,0]=4 9171 B10R0.7 CCCC(C)OC(C)(C)CC 7a_100000764384_100000210677 [0,2,0,0,0,0|2,0,0]=4 9172 B10R0.7 CCCC(C)SC(C)(C)CC 62a_100000032637_100000766640 [0,2,0,0,0,0|2,0,0]=4 9173 B10R0.7 CCCC(C)SC(C)(C)CC 62a_100000766640_100000032637 [0,2,0,0,0,0|2,0,0]=4 9174 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [0,2,0,0,0,0|1,0,1]=4 9175 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [0,2,0,0,0,0|1,0,1]=4 9176 B10R0.42 CCCCNC(C)(C)C(C)C 2230a_200160471154_100000210211 [0,2,0,0,0,0|2,0,0]=4 9177 B10R0.42 CCCCOC(C)(C)C(C)C 7a_100011215261_100000210211 [0,2,0,0,0,0|2,0,0]=4 9178 B10R0.62 CC(C)(CCCCCBr)O[13CH3] 7a_100010402123_200025704644 [0,2,0,0,0,0|2,0,0]=4 9179 B10R0.62 CCC(C)(C)COCCCF 7a_100000765029_100011934791 [0,2,0,0,0,0|2,0,0]=4 9180 B10R0.62 CCC(C)(C)COCCCO 7a_100000765029_100011215043 [0,2,0,0,0,0|2,0,0]=4 9181 B10R0.62 CCC(C)(C)COCCOC 7a_100000765029_100000233755 [0,2,0,0,0,0|2,0,0]=4 9182 B10R0.62 CCC(C)(C)COCCSC 7a_100000765029_100000212216 [0,2,0,0,0,0|2,0,0]=4 9183 B10R0.62 CCC(C)(C)NCCCCF 2230a_100000211385_100000729493 [0,2,0,0,0,0|2,0,0]=4 9184 B10R0.62 CCC(C)(C)NCCCCO 2230a_100000211385_100000210776 [0,2,0,0,0,0|2,0,0]=4 9185 B10R0.62 CCC(C)(C)NCCCOC 2230a_100000211385_100000740836 [0,2,0,0,0,0|2,0,0]=4 9186 B10R0.62 CCC(C)(C)OCCCCCl 7a_100000210776_100000210677 [0,2,0,0,0,0|2,0,0]=4 9187 B10R0.62 CCC(C)(C)OCCCCF 7a_100000210230_100000729493 [0,2,0,0,0,0|2,0,0]=4 9188 B10R0.62 CCC(C)(C)OCCCCF 7a_100011995726_100000210677 [0,2,0,0,0,0|2,0,0]=4 9189 B10R0.62 CCC(C)(C)OCCCCO 7a_100000210230_100000210776 [0,2,0,0,0,0|2,0,0]=4 9190 B10R0.62 CCC(C)(C)OCCCOC 7a_100000210230_100000740836 [0,2,0,0,0,0|2,0,0]=4 9191 B10R0.62 CCC(C)(C)OCCCSC 7a_100000690336_100000210677 [0,2,0,0,0,0|2,0,0]=4 9192 B10R0.62 CCC(C)(C)SCCCCF 62a_100000032637_100000729493 [0,2,0,0,0,0|2,0,0]=4 9193 B10R0.62 CCC(C)(C)SCCCCF 62a_100000729493_100000032637 [0,2,0,0,0,0|2,0,0]=4 9194 B10R0.62 CCC(C)(C)SCCCCO 62a_100000032637_100000210776 [0,2,0,0,0,0|2,0,0]=4 9195 B10R0.62 CCC(C)(C)SCCCCO 62a_100000210776_100000032637 [0,2,0,0,0,0|2,0,0]=4 9196 B10R0.62 CCC(C)(C)SCCCOC 62a_100000032637_100000709357 [0,2,0,0,0,0|2,0,0]=4 9197 B10R0.62 CCC(C)(C)SCCCOC 62a_100000709357_100000032637 [0,2,0,0,0,0|2,0,0]=4 9198 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [0,2,0,0,0,0|2,0,0]=4 9199 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [0,2,0,0,0,0|2,0,0]=4 9200 B10R0.62 CCCCCNC(C)(C)CC 2230a_100000211385_100000210326 [0,2,0,0,0,0|1,0,0]=3 9201 B10R0.62 CCCCCNC(C)(C)CO 2230a_100000210608_100000210326 [0,2,0,0,0,0|2,0,0]=4 9202 B10R0.62 CCCCCNS(=O)(=O)CC 270084a_100000209983_100000211323 [0,2,0,0,0,0|1,0,1]=4 9203 B10R0.62 CCCCCNS(=O)(=O)CC 274078a_100000209983_100000211323 [0,2,0,0,0,0|1,0,1]=4 9204 B10R0.62 CCCCCNS(=O)(=O)CC 40a_100000209983_100000053943 [0,2,0,0,0,0|1,0,1]=4 9205 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210230_100000210326 [0,2,0,0,0,0|1,0,0]=3 9206 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210253_100000210677 [0,2,0,0,0,0|1,0,0]=3 9207 B10R0.62 CCCCCOC(C)(C)CCl 7a_100000764493_100000210326 [0,2,0,0,0,0|2,0,0]=4 9208 B10R0.62 CCCCCSC(C)(C)CC 62a_100000032637_100000210326 [0,2,0,0,0,0|1,0,0]=3 9209 B10R0.62 CCCCCSC(C)(C)CC 62a_100000210326_100000032637 [0,2,0,0,0,0|1,0,0]=3 9210 B10R0.62 CCCCCSC(F)(F)CO 62a_100000210326_100011217949 [0,2,0,0,0,0|2,0,0]=4 9211 B10R0.62 CCCCCSC(F)(F)CO 62a_100011217949_100000210326 [0,2,0,0,0,0|2,0,0]=4 9212 B10R0.62 CCCCNCC(C)(C)CO 2230a_100020635058_100000210211 [0,2,0,0,0,0|2,0,0]=4 9213 B10R0.62 CCCCNCC(C)(C)CO 7a_106832991798_100009813988 [0,2,0,0,0,0|2,0,0]=4 9214 B10R0.62 CCCCNCC(C)(C)OC 2230a_100000763424_100000210211 [0,2,0,0,0,0|2,0,0]=4 9215 B10R0.62 CCCCNCC(C)(C)SC 270004a_100000102301_100009845794 [0,2,0,0,0,0|2,0,0]=4 9216 B10R0.62 CCCCOCC(C)(C)CC 7a_100000765029_100000210211 [0,2,0,0,0,0|1,0,0]=3 9217 B10R0.62 CCCCOCC(C)(C)CCl 7a_100011217199_100000210211 [0,2,0,0,0,0|2,0,0]=4 9218 B10R0.62 CCCCOCC(C)(C)CO 34a_100000210227_100009813988 [0,2,0,0,0,0|2,0,0]=4 9219 B10R0.62 CCCCOCC(C)(C)CO 7a_100000210227_100009813988 [0,2,0,0,0,0|2,0,0]=4 9220 B10R0.62 CCCCOCC(C)(C)OC 34a_100000210227_100000701081 [0,2,0,0,0,0|2,0,0]=4 9221 B10R0.62 CCCCOCC(F)(F)CN 34a_100000703232_100000210210 [0,2,0,0,0,0|2,0,0]=4 9222 B10R0.62 CCCCSCC(C)(C)CO 62a_100000210211_100009813988 [0,2,0,0,0,0|2,0,0]=4 9223 B10R0.62 CCCCSCC(C)(C)CO 62a_100009813988_100000210210 [0,2,0,0,0,0|2,0,0]=4 9224 B10R0.62 CCCCSCC(C)(C)OC 62a_100000210211_100000701081 [0,2,0,0,0,0|2,0,0]=4 9225 B10R0.62 CCCCSCC(C)(C)OC 62a_100000701081_100000210210 [0,2,0,0,0,0|2,0,0]=4 9226 B10R0.62 CCCNCCS(=O)(=O)CC 2230a_100000751051_100000210303 [0,2,0,0,0,0|1,0,1]=4 9227 B10R0.62 CCCNCCS(=O)(=O)CC 34a_100000751051_100000210303 [0,2,0,0,0,0|1,0,1]=4 9228 B10R0.62 CCCOCCC(C)(C)OC 7a_100000699976_100000210303 [0,2,0,0,0,0|2,0,0]=4 9229 B10R0.62 CCCOCCS(=O)(=O)CC 34a_100000210258_100000756660 [0,2,0,0,0,0|1,0,1]=4 9230 B10R0.62 CCCOCCS(=O)(=O)CC 34a_200011216379_100000210303 [0,2,0,0,0,0|1,0,1]=4 9231 B10R0.62 CCCOCCS(=O)(=O)CC 7a_200011216379_100000210303 [0,2,0,0,0,0|1,0,1]=4 9232 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000210303_100000756660 [0,2,0,0,0,0|1,0,1]=4 9233 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000756660_100000210303 [0,2,0,0,0,0|1,0,1]=4 9234 B10R0.62 CCNCCCC(C)(C)CO 2230a_100000039164_100000210202 [0,2,0,0,0,0|2,0,0]=4 9235 B10R0.62 CCOCCNC(C)(C)CC 2230a_100000211385_100011215890 [0,2,0,0,0,0|2,0,0]=4 9236 B10R0.62 CCOCCOC(C)(C)CC 7a_100000210136_100000210677 [0,2,0,0,0,0|2,0,0]=4 9237 B10R0.62 CCOCCOC(C)(C)CC 7a_100000210230_100011215890 [0,2,0,0,0,0|2,0,0]=4 9238 B10R0.62 CCOCCSC(C)(C)CC 62a_100000032637_100011215890 [0,2,0,0,0,0|2,0,0]=4 9239 B10R0.62 CCOCCSC(C)(C)CC 62a_100000210147_100000032637 [0,2,0,0,0,0|2,0,0]=4 9240 B10R0.62 CCSCCNC(C)(C)CC 2230a_100000211385_100000757381 [0,2,0,0,0,0|2,0,0]=4 9241 B10R0.62 CCSCCOC(C)(C)CC 7a_100000210230_100000757381 [0,2,0,0,0,0|2,0,0]=4 9242 B10R0.62 CCSCCOC(C)(C)CC 7a_100000212035_100000210677 [0,2,0,0,0,0|2,0,0]=4 9243 B10R0.62 CCSCCSC(C)(C)CC 62a_100000032637_100000757381 [0,2,0,0,0,0|2,0,0]=4 9244 B10R0.62 CCSCCSC(C)(C)CC 62a_100000757381_100000032637 [0,2,0,0,0,0|2,0,0]=4 9245 B10R0.62 COC(C)(C)CCCCCBr 7a_100010402123_200000210301 [0,2,0,0,0,0|2,0,0]=4 9246 B10R0.115 CCC(C)(C)NCC(O)CO 2230a_100000211385_100011219619 [0,2,0,0,0,0|2,0,0]=4 9247 B10R0.115 CCC(C)(C)NC[C@@H](O)CF 2230a_100000211385_100015614560 [0,2,0,0,0,0|2,0,0]=4 9248 B10R0.115 CCC(C)(C)NC[C@@H](O)CO 2230a_100000211385_100009815848 [0,2,0,0,0,0|2,0,0]=4 9249 B10R0.115 CCC(C)(C)OCC(O)CO 7a_100000210230_100011219619 [0,2,0,0,0,0|2,0,0]=4 9250 B10R0.115 CCC(C)(C)OC[C@@H](O)CF 7a_100000210230_100015614560 [0,2,0,0,0,0|2,0,0]=4 9251 B10R0.115 CCC(C)(C)OC[C@@H](O)CO 7a_100000210230_100009815848 [0,2,0,0,0,0|2,0,0]=4 9252 B10R0.115 CCC(C)(C)SCC(O)CO 62a_100000032637_100011219619 [0,2,0,0,0,0|2,0,0]=4 9253 B10R0.115 CCC(C)(C)SCC(O)CO 62a_100011219619_100000032637 [0,2,0,0,0,0|2,0,0]=4 9254 B10R0.115 CCC(C)(C)SC[C@@H](O)CF 62a_100000032637_100015614560 [0,2,0,0,0,0|2,0,0]=4 9255 B10R0.115 CCC(C)(C)SC[C@@H](O)CF 62a_100015614560_100000032637 [0,2,0,0,0,0|2,0,0]=4 9256 B10R0.115 CCC(C)(C)SC[C@@H](O)CO 62a_100000032637_100009815848 [0,2,0,0,0,0|2,0,0]=4 9257 B10R0.115 CCC(C)(C)SC[C@@H](O)CO 62a_100009815848_100000032637 [0,2,0,0,0,0|2,0,0]=4 9258 B10R0.115 CCC(C)CNC(C)(C)CC 2230a_100000211385_100000748023 [0,2,0,0,0,0|2,0,0]=4 9259 B10R0.115 CCC(C)CNC(C)(C)CC 270004a_100000211385_100000243153 [0,2,0,0,0,0|2,0,0]=4 9260 B10R0.115 CCC(C)COC(C)(C)CC 7a_100000210230_100000748023 [0,2,0,0,0,0|2,0,0]=4 9261 B10R0.115 CCC(C)CSC(C)(C)CC 62a_100000032637_100000748023 [0,2,0,0,0,0|2,0,0]=4 9262 B10R0.115 CCC(C)CSC(C)(C)CC 62a_100000748023_100000032637 [0,2,0,0,0,0|2,0,0]=4 9263 B10R0.115 CCC(C)OCC(C)(C)CC 7a_100000765029_100000758301 [0,2,0,0,0,0|2,0,0]=4 9264 B10R0.115 CCC(O)CNC(C)(C)CC 2230a_100000211385_100011218378 [0,2,0,0,0,0|1,0,0]=3 9265 B10R0.115 CCC(O)CNC(C)(C)CO 2230a_100000210608_100011218378 [0,2,0,0,0,0|2,0,0]=4 9266 B10R0.115 CCC(O)CNS(=O)(=O)CC 270084a_100011218483_100000211323 [0,2,0,0,0,0|2,0,0]=4 9267 B10R0.115 CCC(O)CNS(=O)(=O)CC 274078a_100011218483_100000211323 [0,2,0,0,0,0|2,0,0]=4 9268 B10R0.115 CCC(O)CNS(=O)(=O)CC 40a_100011218483_100000053943 [0,2,0,0,0,0|2,0,0]=4 9269 B10R0.115 CCC(O)COC(C)(C)CC 7a_100000210230_100011218378 [0,2,0,0,0,0|1,0,0]=3 9270 B10R0.115 CCC(O)COC(C)(C)CCl 7a_100000764493_100011218378 [0,2,0,0,0,0|2,0,0]=4 9271 B10R0.115 CCC(O)CSC(C)(C)CC 62a_100000032637_100011218378 [0,2,0,0,0,0|1,0,0]=3 9272 B10R0.115 CCC(O)CSC(C)(C)CC 62a_100011218378_100000032637 [0,2,0,0,0,0|1,0,0]=3 9273 B10R0.115 CCC(O)CSC(F)(F)CO 62a_100011217949_100011218378 [0,2,0,0,0,0|2,0,0]=4 9274 B10R0.115 CCC(O)CSC(F)(F)CO 62a_100011218378_100011217949 [0,2,0,0,0,0|2,0,0]=4 9275 B10R0.115 CC[C@H](C)CNC(C)(C)CC 2230a_100000211385_100009816398 [0,2,0,0,0,0|2,0,0]=4 9276 B10R0.115 CC[C@H](C)COC(C)(C)CC 7a_100000210230_100009816398 [0,2,0,0,0,0|2,0,0]=4 9277 B10R0.115 CC[C@H](C)COC(C)(C)CC 7a_100009816381_100000210677 [0,2,0,0,0,0|2,0,0]=4 9278 B10R0.115 CC[C@H](C)CSC(C)(C)CC 62a_100000032637_100009816398 [0,2,0,0,0,0|2,0,0]=4 9279 B10R0.115 CC[C@H](C)CSC(C)(C)CC 62a_100009816398_100000032637 [0,2,0,0,0,0|2,0,0]=4 9280 B10R0.157 C#CC(C)(CC)NCCCC 2230a_100000054623_100000210211 [0,2,0,0,0,0|2,0,0]=4 9281 B10R0.157 C#CC(C)(CC)OCCCC 34a_100000686493_100000210210 [0,2,0,0,0,0|2,0,0]=4 9282 B10R0.157 C#CC(C)(CC)OCCCC 7a_100000686493_100000210211 [0,2,0,0,0,0|2,0,0]=4 9283 B10R0.157 CCCCNC(C)(CC)CC 7a_106832991798_100009817345 [0,2,0,0,0,0|2,0,0]=4 9284 B10R0.157 CCCCOC(C)(C#N)CC 7a_100000760259_100000210211 [0,2,0,0,0,0|2,0,0]=4 9285 B10R0.157 CCCCOC(C)(CC)CC 7a_100000210227_100009817345 [0,2,0,0,0,0|2,0,0]=4 9286 B10R0.157 CCCCOC(C)(CC)CC 7a_100000755174_100000210211 [0,2,0,0,0,0|2,0,0]=4 9287 B10R0.157 CCCCSC(C)(CC)CC 62a_100000210211_100009817345 [0,2,0,0,0,0|2,0,0]=4 9288 B10R0.157 CCCCSC(C)(CC)CC 62a_100009817345_100000210210 [0,2,0,0,0,0|2,0,0]=4 9289 B10R0.157 CCCNCC(C)(OC)OC 2230a_100000732740_100000210303 [0,2,0,0,0,0|2,0,0]=4 9290 B10R0.157 CCCOCC(C)(OC)OC 34a_100000210258_100000766008 [0,2,0,0,0,0|2,0,0]=4 9291 B10R0.157 CCCSCC(C)(OC)OC 62a_100000210303_100000766008 [0,2,0,0,0,0|2,0,0]=4 9292 B10R0.157 CCCSCC(C)(OC)OC 62a_100000766008_100000210303 [0,2,0,0,0,0|2,0,0]=4 9293 B10R0.45 C#CC(CC)OCC(C)CC 34a_100000758843_100000748023 [0,2,0,0,0,0|2,0,0]=4 9294 B10R0.45 C#CC(CC)OCC(C)CC 7a_100000758843_100000748023 [0,2,0,0,0,0|2,0,0]=4 9295 B10R0.45 C#CC(CC)OCC(O)CC 34a_100000758843_100011218378 [0,2,0,0,0,0|1,0,0]=3 9296 B10R0.45 C#CC(CC)OCC(O)CC 7a_100000758843_100011218378 [0,2,0,0,0,0|1,0,0]=3 9297 B10R0.45 C#CC(CC)OCC(O)CO 34a_100000758843_100011219619 [0,2,0,0,0,0|2,0,0]=4 9298 B10R0.45 C#CC(CC)OCC(O)CO 7a_100000758843_100011219619 [0,2,0,0,0,0|2,0,0]=4 9299 B10R0.45 C#CC(CC)OC[C@@H](C)CC 34a_100000758843_100009816398 [0,2,0,0,0,0|2,0,0]=4 9300 B10R0.45 C#CC(CC)OC[C@@H](C)CC 7a_100000758843_100009816398 [0,2,0,0,0,0|2,0,0]=4 9301 B10R0.45 C#CC(CC)OC[C@@H](O)CF 34a_100000758843_100015614560 [0,2,0,0,0,0|2,0,0]=4 9302 B10R0.45 C#CC(CC)OC[C@@H](O)CF 7a_100000758843_100015614560 [0,2,0,0,0,0|2,0,0]=4 9303 B10R0.45 C#CC(CC)OC[C@@H](O)CO 34a_100000758843_100009815848 [0,2,0,0,0,0|2,0,0]=4 9304 B10R0.45 C#CC(CC)OC[C@@H](O)CO 7a_100000758843_100009815848 [0,2,0,0,0,0|2,0,0]=4 9305 B10R0.45 C=CC(CC)OCC(C)CC 34a_100000766422_100000748023 [0,2,0,0,0,0|2,0,0]=4 9306 B10R0.45 C=CC(CC)OCC(C)CC 7a_100000766422_100000748023 [0,2,0,0,0,0|2,0,0]=4 9307 B10R0.45 C=CC(CC)OCC(O)CC 34a_100000766422_100011218378 [0,2,0,0,0,0|1,0,0]=3 9308 B10R0.45 C=CC(CC)OCC(O)CC 7a_100000766422_100011218378 [0,2,0,0,0,0|1,0,0]=3 9309 B10R0.45 C=CC(CC)OCC(O)CO 34a_100000766422_100011219619 [0,2,0,0,0,0|2,0,0]=4 9310 B10R0.45 C=CC(CC)OCC(O)CO 7a_100000766422_100011219619 [0,2,0,0,0,0|2,0,0]=4 9311 B10R0.45 C=CC(CC)OC[C@@H](C)CC 34a_100000766422_100009816398 [0,2,0,0,0,0|2,0,0]=4 9312 B10R0.45 C=CC(CC)OC[C@@H](C)CC 7a_100000766422_100009816398 [0,2,0,0,0,0|2,0,0]=4 9313 B10R0.45 C=CC(CC)OC[C@@H](O)CF 34a_100000766422_100015614560 [0,2,0,0,0,0|2,0,0]=4 9314 B10R0.45 C=CC(CC)OC[C@@H](O)CF 7a_100000766422_100015614560 [0,2,0,0,0,0|2,0,0]=4 9315 B10R0.45 C=CC(CC)OC[C@@H](O)CO 34a_100000766422_100009815848 [0,2,0,0,0,0|2,0,0]=4 9316 B10R0.45 C=CC(CC)OC[C@@H](O)CO 7a_100000766422_100009815848 [0,2,0,0,0,0|2,0,0]=4 9317 B10R0.45 C=C[C@@H](CO)NCC(O)CC 2230a_100016989147_100011218378 [0,2,0,0,0,0|2,0,0]=4 9318 B10R0.45 C=C[C@@H](CO)NCC(O)CC 34a_100016989147_100011218378 [0,2,0,0,0,0|2,0,0]=4 9319 B10R0.45 CCC(=O)CCC(OC)OC 1458a_100000210414_100000139399 [0,2,0,0,0,0|1,0,1]=4 9320 B10R0.45 CCC(=O)CCC(OC)OC 1458a_200000082759_100000210202 [0,2,0,0,0,0|1,0,1]=4 9321 B10R0.45 CCC(=O)NCC(CC)OC 11a_100000731041_100000210414 [0,2,0,0,0,0|1,0,1]=4 9322 B10R0.45 CCC(=O)NCC(CC)OC 1626a_100000731041_100000210414 [0,2,0,0,0,0|1,0,1]=4 9323 B10R0.45 CCC(=O)NCC(CC)OC 240690a_100000731041_100000210414 [0,2,0,0,0,0|1,0,1]=4 9324 B10R0.45 CCC(=O)NCC(CC)OC 527a_100000731041_100000210414 [0,2,0,0,0,0|1,0,1]=4 9325 B10R0.45 CCC(C)CNC(CC)CC 2230a_100000199018_100000748023 [0,2,0,0,0,0|2,0,0]=4 9326 B10R0.45 CCC(C)CNC(CC)CC 270004a_100000199018_100000243153 [0,2,0,0,0,0|2,0,0]=4 9327 B10R0.45 CCC(C)CNC(CC)CC 270004a_100020588543_100000210860 [0,2,0,0,0,0|2,0,0]=4 9328 B10R0.45 CCC(C)CNC(CO)CO 2230a_100000759517_100000748023 [0,2,0,0,0,0|2,0,0]=4 9329 B10R0.45 CCC(C)CN[C@@H](CC)CO 2230a_100000709445_100000748023 [0,2,0,0,0,0|1,0,0]=3 9330 B10R0.45 CCC(C)CN[C@@H](CC)CO 270004a_100000709445_100000243153 [0,2,0,0,0,0|1,0,0]=3 9331 B10R0.45 CCC(C)COC(CC)CC 7a_100000688536_100000748023 [0,2,0,0,0,0|2,0,0]=4 9332 B10R0.45 CCC(C)CSC(CC)CC 62a_100000210505_100000748023 [0,2,0,0,0,0|2,0,0]=4 9333 B10R0.45 CCC(C)CSC(CC)CC 62a_100000748023_100000210505 [0,2,0,0,0,0|2,0,0]=4 9334 B10R0.45 CCC(C)NCC(OC)OC 2230a_100000209981_100000751394 [0,2,0,0,0,0|2,0,0]=4 9335 B10R0.45 CCC(C)NCC(OC)OC 270004a_100000209981_100000752162 [0,2,0,0,0,0|2,0,0]=4 9336 B10R0.45 CCC(C)OCC(CC)OC 34a_100011934954_100011215416 [0,2,0,0,0,0|1,0,0]=3 9337 B10R0.45 CCC(C)OCC(CC)OC 7a_100011934954_100000758301 [0,2,0,0,0,0|1,0,0]=3 9338 B10R0.45 CCC(C)OCC(OC)OC 34a_100011216393_100011215416 [0,2,0,0,0,0|2,0,0]=4 9339 B10R0.45 CCC(C)OCC(OC)OC 7a_100000210228_100000751394 [0,2,0,0,0,0|2,0,0]=4 9340 B10R0.45 CCC(C)SCC(OC)OC 62a_100000751394_100000758301 [0,2,0,0,0,0|2,0,0]=4 9341 B10R0.45 CCC(C)SCC(OC)OC 62a_100000758301_100000751394 [0,2,0,0,0,0|2,0,0]=4 9342 B10R0.45 CCC(CC)CNC(C)CC 2230a_100000209981_100011215472 [0,2,0,0,0,0|2,0,0]=4 9343 B10R0.45 CCC(CC)CNC(C)CC 2230a_100102946423_100000758301 [0,2,0,0,0,0|2,0,0]=4 9344 B10R0.45 CCC(CC)CNC(C)CC 269862a_100000209981_100000211137 [0,2,0,0,0,0|2,0,0]=4 9345 B10R0.45 CCC(CC)CNC(C)CC 270004a_100000209981_100000211137 [0,2,0,0,0,0|2,0,0]=4 9346 B10R0.45 CCC(CC)COC(C)CC 7a_100000210228_100011215472 [0,2,0,0,0,0|2,0,0]=4 9347 B10R0.45 CCC(CC)COC(C)CC 7a_100000703878_100000758301 [0,2,0,0,0,0|2,0,0]=4 9348 B10R0.45 CCC(CC)CSC(C)CC 62a_100000758301_100011215472 [0,2,0,0,0,0|2,0,0]=4 9349 B10R0.45 CCC(CC)CSC(C)CC 62a_100011215472_100000758301 [0,2,0,0,0,0|2,0,0]=4 9350 B10R0.45 CCC(CC)NCC(O)CO 2230a_100000199018_100011219619 [0,2,0,0,0,0|2,0,0]=4 9351 B10R0.45 CCC(CC)NC[C@@H](C)CC 2230a_100000199018_100009816398 [0,2,0,0,0,0|2,0,0]=4 9352 B10R0.45 CCC(CC)NC[C@@H](O)CF 2230a_100000199018_100015614560 [0,2,0,0,0,0|2,0,0]=4 9353 B10R0.45 CCC(CC)NC[C@@H](O)CO 2230a_100000199018_100009815848 [0,2,0,0,0,0|2,0,0]=4 9354 B10R0.45 CCC(CC)OCC(O)CO 7a_100000688536_100011219619 [0,2,0,0,0,0|2,0,0]=4 9355 B10R0.45 CCC(CC)OC[C@@H](C)CC 7a_100000688536_100009816398 [0,2,0,0,0,0|2,0,0]=4 9356 B10R0.45 CCC(CC)OC[C@@H](C)CC 7a_100009816381_100000210505 [0,2,0,0,0,0|2,0,0]=4 9357 B10R0.45 CCC(CC)OC[C@@H](O)CF 7a_100000688536_100015614560 [0,2,0,0,0,0|2,0,0]=4 9358 B10R0.45 CCC(CC)OC[C@@H](O)CO 7a_100000688536_100009815848 [0,2,0,0,0,0|2,0,0]=4 9359 B10R0.45 CCC(CC)SCC(O)CO 62a_100000210505_100011219619 [0,2,0,0,0,0|2,0,0]=4 9360 B10R0.45 CCC(CC)SCC(O)CO 62a_100011219619_100000210505 [0,2,0,0,0,0|2,0,0]=4 9361 B10R0.45 CCC(CC)SC[C@@H](C)CC 62a_100000210505_100009816398 [0,2,0,0,0,0|2,0,0]=4 9362 B10R0.45 CCC(CC)SC[C@@H](C)CC 62a_100009816398_100000210505 [0,2,0,0,0,0|2,0,0]=4 9363 B10R0.45 CCC(CC)SC[C@@H](O)CF 62a_100000210505_100015614560 [0,2,0,0,0,0|2,0,0]=4 9364 B10R0.45 CCC(CC)SC[C@@H](O)CF 62a_100015614560_100000210505 [0,2,0,0,0,0|2,0,0]=4 9365 B10R0.45 CCC(CC)SC[C@@H](O)CO 62a_100000210505_100009815848 [0,2,0,0,0,0|2,0,0]=4 9366 B10R0.45 CCC(CC)SC[C@@H](O)CO 62a_100009815848_100000210505 [0,2,0,0,0,0|2,0,0]=4 9367 B10R0.45 CCC(COC(C)CO)OC 34a_100011934954_100012180447 [0,2,0,0,0,0|2,0,0]=4 9368 B10R0.45 CCC(COC(C)CO)OC 7a_100011934954_100012180447 [0,2,0,0,0,0|2,0,0]=4 9369 B10R0.45 CCC(O)CNC(CC)CC 2230a_100000199018_100011218378 [0,2,0,0,0,0|1,0,0]=3 9370 B10R0.45 CCC(O)CNC(CC)CC 270004a_100011218483_100000210860 [0,2,0,0,0,0|1,0,0]=3 9371 B10R0.45 CCC(O)CNC(CO)CO 2230a_100000759517_100011218378 [0,2,0,0,0,0|2,0,0]=4 9372 B10R0.45 CCC(O)CN[C@@H](CC)CO 2230a_100000709445_100011218378 [0,2,0,0,0,0|1,0,0]=3 9373 B10R0.45 CCC(O)COC(CC)CC 7a_100000688536_100011218378 [0,2,0,0,0,0|1,0,0]=3 9374 B10R0.45 CCC(O)COC(CCl)CCl 7a_100000737055_100011218378 [0,2,0,0,0,0|2,0,0]=4 9375 B10R0.45 CCC(O)COC(CF)CF 34a_100000032261_100011218378 [0,2,0,0,0,0|2,0,0]=4 9376 B10R0.45 CCC(O)COC(CF)CF 7a_100000032261_100011218378 [0,2,0,0,0,0|2,0,0]=4 9377 B10R0.45 CCC(O)COC(CN)CN 34a_100000031598_100011218378 [0,2,0,0,0,0|2,0,0]=4 9378 B10R0.45 CCC(O)CO[C@@H](CF)CCl 34a_100015614560_100011218378 [0,2,0,0,0,0|2,0,0]=4 9379 B10R0.45 CCC(O)CO[C@@H](CF)CCl 7a_100015614560_100011218378 [0,2,0,0,0,0|2,0,0]=4 9380 B10R0.45 CCC(O)CSC(CC)CC 62a_100000210505_100011218378 [0,2,0,0,0,0|1,0,0]=3 9381 B10R0.45 CCC(O)CSC(CC)CC 62a_100011218378_100000210505 [0,2,0,0,0,0|1,0,0]=3 9382 B10R0.45 CCN(C)CCC(OC)OC 2230a_100000225621_100009813347 [0,2,0,0,0,0|2,0,0]=4 9383 B10R0.45 CCN(C)CCC(OC)OC 269982a_100000225621_100000139399 [0,2,0,0,0,0|2,0,0]=4 9384 B10R0.45 CC[C@@H](CO)NCC(O)CO 2230a_100000709445_100011219619 [0,2,0,0,0,0|2,0,0]=4 9385 B10R0.45 CC[C@@H](CO)NC[C@@H](C)CO 2230a_100000709445_100000059175 [0,2,0,0,0,0|2,0,0]=4 9386 B10R0.45 CC[C@@H](CO)NC[C@@H](O)CF 2230a_100000709445_100015614560 [0,2,0,0,0,0|2,0,0]=4 9387 B10R0.45 CC[C@@H](CO)NC[C@@H](O)CO 2230a_100000709445_100009815848 [0,2,0,0,0,0|2,0,0]=4 9388 B10R0.45 CC[C@H](C)CNC(CO)CO 2230a_100000759517_100009816398 [0,2,0,0,0,0|2,0,0]=4 9389 B10R0.45 CC[C@H](C)CN[C@@H](CC)CO 2230a_100000709445_100009816398 [0,2,0,0,0,0|1,0,0]=3 9390 B10R0.18 C#CCCC(=O)CC(O)CC 1458a_100000692101_100011218378 [0,2,0,0,0,0|0,0,2]=4 9391 B10R0.18 C#CCCC(=O)CC(O)CC 1458a_100011667805_100000753159 [0,2,0,0,0,0|0,0,2]=4 9392 B10R0.18 C/C=C/CC(=O)CC(O)CC 1458a_100011667805_100102629194 [0,2,0,0,0,0|0,0,2]=4 9393 B10R0.18 C=CC(O)CN(C)CCCC 2230a_100000207549_100000730141 [0,2,0,0,0,0|0,0,2]=4 9394 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100000749702_100011218378 [0,2,0,0,0,0|0,0,2]=4 9395 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100011667805_100000754431 [0,2,0,0,0,0|0,0,2]=4 9396 B10R0.18 C=CCCN(C)CC(O)CC 2230a_100020639649_100011218378 [0,2,0,0,0,0|0,0,2]=4 9397 B10R0.18 C=CCCN(C)CC(O)CC 269982a_100020639649_100011218378 [0,2,0,0,0,0|0,0,2]=4 9398 B10R0.18 CC#CCC(=O)CC(O)CC 1458a_100011667805_100000748600 [0,2,0,0,0,0|0,0,2]=4 9399 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100011667805_100000070051 [0,2,0,0,0,0|0,0,2]=4 9400 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100121576822_100011218378 [0,2,0,0,0,0|0,0,2]=4 9401 B10R0.18 CCC#CC(=O)CC(O)CC 1458a_100011827653_100011218378 [0,2,0,0,0,0|0,0,2]=4 9402 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [0,2,0,0,0,0|1,0,1]=4 9403 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [0,2,0,0,0,0|1,0,1]=4 9404 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [0,2,0,0,0,0|1,0,1]=4 9405 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [0,2,0,0,0,0|1,0,1]=4 9406 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [0,2,0,0,0,0|1,0,1]=4 9407 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [0,2,0,0,0,0|1,0,1]=4 9408 B10R0.18 CCC(C)CC(C)NCCF 2230a_100000763565_100011217306 [0,2,0,0,0,0|2,0,0]=4 9409 B10R0.18 CCC(C)CC(C)NCCO 2230a_100000763565_100000211926 [0,2,0,0,0,0|2,0,0]=4 9410 B10R0.18 CCC(C)CC(C)NCCO 270004a_100000210304_100011710205 [0,2,0,0,0,0|2,0,0]=4 9411 B10R0.18 CCC(C)CC(C)NCOC 2230a_100000763565_100000766300 [0,2,0,0,0,0|2,0,0]=4 9412 B10R0.18 CCC(C)CC(C)NCSC 2230a_100000763565_100011218213 [0,2,0,0,0,0|2,0,0]=4 9413 B10R0.18 CCC(C)CN(C)CCCF 2230a_100000753921_100011934791 [0,2,0,0,0,0|2,0,0]=4 9414 B10R0.18 CCC(C)CN(C)CCCF 269982a_100000753921_100011934791 [0,2,0,0,0,0|2,0,0]=4 9415 B10R0.18 CCC(C)CN(C)CCCO 2230a_100000213112_100000748023 [0,2,0,0,0,0|2,0,0]=4 9416 B10R0.18 CCC(C)CN(C)CCCO 2230a_100000753921_100000230001 [0,2,0,0,0,0|2,0,0]=4 9417 B10R0.18 CCC(C)CN(C)CCCO 269982a_100000213112_100000748023 [0,2,0,0,0,0|2,0,0]=4 9418 B10R0.18 CCC(C)CN(C)CCCO 269982a_100000753921_100011215043 [0,2,0,0,0,0|2,0,0]=4 9419 B10R0.18 CCC(C)CN(C)CCCO 270004a_100000213112_100000243153 [0,2,0,0,0,0|2,0,0]=4 9420 B10R0.18 CCC(C)CN(C)CCOC 2230a_100000743101_100000748023 [0,2,0,0,0,0|2,0,0]=4 9421 B10R0.18 CCC(C)CN(C)CCOC 2230a_100000753921_100011201679 [0,2,0,0,0,0|2,0,0]=4 9422 B10R0.18 CCC(C)CN(C)CCOC 269982a_100000743101_100000748023 [0,2,0,0,0,0|2,0,0]=4 9423 B10R0.18 CCC(C)CN(C)CCOC 269982a_100000753921_100000233755 [0,2,0,0,0,0|2,0,0]=4 9424 B10R0.18 CCC(C)CN(C)CCOC 270004a_100000743101_100000243153 [0,2,0,0,0,0|2,0,0]=4 9425 B10R0.18 CCC(C)CN(C)CCSC 2230a_100000686725_100000748023 [0,2,0,0,0,0|2,0,0]=4 9426 B10R0.18 CCC(C)CN(C)CCSC 2230a_100000753921_100000751147 [0,2,0,0,0,0|2,0,0]=4 9427 B10R0.18 CCC(C)CN(C)CCSC 269982a_100000686725_100000748023 [0,2,0,0,0,0|2,0,0]=4 9428 B10R0.18 CCC(C)CN(C)CCSC 269982a_100000753921_100000212216 [0,2,0,0,0,0|2,0,0]=4 9429 B10R0.18 CCC(C)CN(C)CCSC 270004a_100000686725_100000243153 [0,2,0,0,0,0|2,0,0]=4 9430 B10R0.18 CCC(C)NC(C)CCOC 270004a_100000209981_100000742357 [0,2,0,0,0,0|2,0,0]=4 9431 B10R0.18 CCC(C)NC(C)CCSC 270004a_100000209981_100011217047 [0,2,0,0,0,0|2,0,0]=4 9432 B10R0.18 CCC(C)OC(C)CCCCl 34a_200000718107_100011215416 [0,2,0,0,0,0|2,0,0]=4 9433 B10R0.18 CCC(C)OC(C)CCCCl 7a_200000718107_100000758301 [0,2,0,0,0,0|2,0,0]=4 9434 B10R0.18 CCC(O)CC(=O)CCC#N 1458a_100011667805_100011215226 [0,2,0,0,0,0|0,0,2]=4 9435 B10R0.18 CCC(O)CC(=O)CCC#N 1458a_100011934036_100011218378 [0,2,0,0,0,0|0,0,2]=4 9436 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,2,0,0,0,0|0,0,1]=3 9437 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,2,0,0,0,0|0,0,1]=3 9438 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,2,0,0,0,0|0,0,1]=3 9439 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,2,0,0,0,0|0,0,1]=3 9440 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,2,0,0,0,0|0,0,1]=3 9441 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,2,0,0,0,0|0,0,1]=3 9442 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [0,2,0,0,0,0|1,0,1]=4 9443 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [0,2,0,0,0,0|1,0,1]=4 9444 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [0,2,0,0,0,0|1,0,1]=4 9445 B10R0.18 CCC(O)CN(C)CCC#N 2230a_100000184479_100011218378 [0,2,0,0,0,0|1,0,1]=4 9446 B10R0.18 CCC(O)CN(C)CCCO 2230a_100000213112_100011218378 [0,2,0,0,0,0|1,0,0]=3 9447 B10R0.18 CCC(O)CN(C)CCCO 269982a_100000213112_100011218378 [0,2,0,0,0,0|1,0,0]=3 9448 B10R0.18 CCC(O)CN(C)CCOC 2230a_100000743101_100011218378 [0,2,0,0,0,0|1,0,0]=3 9449 B10R0.18 CCC(O)CN(C)CCOC 269982a_100000743101_100011218378 [0,2,0,0,0,0|1,0,0]=3 9450 B10R0.18 CCC(O)CN(C)CCSC 2230a_100000686725_100011218378 [0,2,0,0,0,0|1,0,0]=3 9451 B10R0.18 CCC(O)CN(C)CCSC 269982a_100000686725_100011218378 [0,2,0,0,0,0|1,0,0]=3 9452 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [0,2,0,0,0,0|0,0,2]=4 9453 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|0,0,2]=4 9454 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,2,0,0,0,0|1,0,0]=3 9455 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,2,0,0,0,0|1,0,0]=3 9456 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,2,0,0,0,0|0,0,0]=2 9457 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,2,0,0,0,0|0,0,0]=2 9458 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,2,0,0,0,0|2,0,0]=4 9459 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,2,0,0,0,0|1,0,0]=3 9460 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,2,0,0,0,0|2,0,0]=4 9461 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [0,2,0,0,0,0|1,0,1]=4 9462 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [0,2,0,0,0,0|1,0,1]=4 9463 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [0,2,0,0,0,0|1,0,1]=4 9464 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [0,2,0,0,0,0|1,0,1]=4 9465 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,0,0,0,0|0,0,2]=4 9466 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,0,0,0,0|0,0,2]=4 9467 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,0,0,0,0|0,0,2]=4 9468 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,0,0,0,0|0,0,2]=4 9469 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000126638_100000758301 [0,2,0,0,0,0|1,0,0]=3 9470 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000209981_200011215066 [0,2,0,0,0,0|1,0,0]=3 9471 B10R0.18 CCCCC(C)NC(C)CC 270004a_100000209981_100000210087 [0,2,0,0,0,0|1,0,0]=3 9472 B10R0.18 CCCCC(C)NC(C)CO 2230a_100000126638_100012180447 [0,2,0,0,0,0|2,0,0]=4 9473 B10R0.18 CCCCC(C)N[C@H](C)CF 270004a_100102880703_100000210087 [0,2,0,0,0,0|2,0,0]=4 9474 B10R0.18 CCCCC(C)N[C@H](C)CO 2230a_100000737577_200011215066 [0,2,0,0,0,0|2,0,0]=4 9475 B10R0.18 CCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210087 [0,2,0,0,0,0|2,0,0]=4 9476 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [0,2,0,0,0,0|1,0,0]=3 9477 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [0,2,0,0,0,0|1,0,0]=3 9478 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [0,2,0,0,0,0|1,0,0]=3 9479 B10R0.18 CCCCC(C)OC(C)CF 34a_100016041109_200011215066 [0,2,0,0,0,0|2,0,0]=4 9480 B10R0.18 CCCCC(C)OC(C)CF 7a_100016041109_200011215066 [0,2,0,0,0,0|2,0,0]=4 9481 B10R0.18 CCCCC(C)OC(C)CN 34a_100000210904_200011215066 [0,2,0,0,0,0|2,0,0]=4 9482 B10R0.18 CCCCC(C)OC(C)CO 34a_100000687866_100012180447 [0,2,0,0,0,0|2,0,0]=4 9483 B10R0.18 CCCCC(C)OC(C)CO 7a_100000687866_100012180447 [0,2,0,0,0,0|2,0,0]=4 9484 B10R0.18 CCCCC(C)SC(C)CC 62a_100000758301_200011215066 [0,2,0,0,0,0|1,0,0]=3 9485 B10R0.18 CCCCC(C)SC(C)CC 62a_200011215066_100000758301 [0,2,0,0,0,0|1,0,0]=3 9486 B10R0.18 CCCCC(C)SC(C)CO 62a_100012180447_200011215066 [0,2,0,0,0,0|2,0,0]=4 9487 B10R0.18 CCCCC(C)SC(C)OC 62a_100009879195_200011215066 [0,2,0,0,0,0|2,0,0]=4 9488 B10R0.18 CCCCC(C)SC(C)OC 62a_200011215066_100009879195 [0,2,0,0,0,0|2,0,0]=4 9489 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_100016084084_200011215066 [0,2,0,0,0,0|2,0,0]=4 9490 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_200011215066_100016084084 [0,2,0,0,0,0|2,0,0]=4 9491 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,2,0,0,0,0|0,0,2]=4 9492 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [0,2,0,0,0,0|1,0,0]=3 9493 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [0,2,0,0,0,0|1,0,0]=3 9494 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [0,2,0,0,0,0|1,0,0]=3 9495 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [0,2,0,0,0,0|1,0,0]=3 9496 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [0,2,0,0,0,0|1,0,0]=3 9497 B10R0.18 CCCCN(C)CC(O)CC 2230a_100000207549_100011218378 [0,2,0,0,0,0|0,0,0]=2 9498 B10R0.18 CCCCN(C)CC(O)CC 269982a_100000207549_100011218378 [0,2,0,0,0,0|0,0,0]=2 9499 B10R0.18 CCCCN(C)CC(O)CO 2230a_100000207549_100011219619 [0,2,0,0,0,0|1,0,0]=3 9500 B10R0.18 CCCCN(C)CC(O)CO 2230a_100011216503_100000210211 [0,2,0,0,0,0|1,0,0]=3 9501 B10R0.18 CCCCN(C)CC(O)CO 269982a_100011216503_100000210211 [0,2,0,0,0,0|1,0,0]=3 9502 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [0,2,0,0,0,0|1,0,0]=3 9503 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [0,2,0,0,0,0|1,0,0]=3 9504 B10R0.18 CCCCN(C)C[C@@H](C)CO 2230a_100000207549_100000059175 [0,2,0,0,0,0|2,0,0]=4 9505 B10R0.18 CCCCN(C)C[C@@H](C)CO 269982a_100000207549_100000059175 [0,2,0,0,0,0|2,0,0]=4 9506 B10R0.18 CCCCN(C)C[C@@H](O)CF 2230a_100000207549_100015614560 [0,2,0,0,0,0|1,0,0]=3 9507 B10R0.18 CCCCN(C)C[C@@H](O)CO 2230a_100000207549_100009815848 [0,2,0,0,0,0|1,0,0]=3 9508 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [0,2,0,0,0,0|1,0,1]=4 9509 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [0,2,0,0,0,0|1,0,1]=4 9510 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [0,2,0,0,0,0|1,0,1]=4 9511 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [0,2,0,0,0,0|1,0,1]=4 9512 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,2,0,0,0,0|0,0,1]=3 9513 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,2,0,0,0,0|0,0,1]=3 9514 B10R0.18 CCCNC(C)CC(C)CC 2230a_100000763565_100000210303 [0,2,0,0,0,0|1,0,0]=3 9515 B10R0.18 CCCNC(C)CC(C)CC 270004a_100020643023_100011710205 [0,2,0,0,0,0|1,0,0]=3 9516 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [0,2,0,0,0,0|1,0,1]=4 9517 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,2,0,0,0,0|1,0,1]=4 9518 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,2,0,0,0,0|0,0,1]=3 9519 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,2,0,0,0,0|1,0,1]=4 9520 B10R0.18 CCOCC(C)OC(C)CC 34a_100000718985_100011215416 [0,2,0,0,0,0|2,0,0]=4 9521 B10R0.18 CCOCC(C)OC(C)CC 7a_100000718985_100000758301 [0,2,0,0,0,0|2,0,0]=4 9522 B10R0.18 CCOCN(C)CC(C)CC 269982a_100000753921_100000739092 [0,2,0,0,0,0|2,0,0]=4 9523 B10R0.18 CCOCN(C)CC(O)CO 269982a_100011216503_100000739092 [0,2,0,0,0,0|2,0,0]=4 9524 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [0,2,0,0,0,0|1,0,1]=4 9525 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,2,0,0,0,0|0,0,1]=3 9526 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [0,2,0,0,0,0|1,0,1]=4 9527 B10R0.18 CCSCC(C)NC(C)CC 270004a_100000209981_200011216171 [0,2,0,0,0,0|2,0,0]=4 9528 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [0,2,0,0,0,0|1,0,1]=4 9529 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [0,2,0,0,0,0|1,0,1]=4 9530 B10R0.18 CC[C@H](C)CN(C)CCCO 2230a_100000213112_100009816398 [0,2,0,0,0,0|2,0,0]=4 9531 B10R0.18 CC[C@H](C)CN(C)CCCO 269982a_100000213112_100009816398 [0,2,0,0,0,0|2,0,0]=4 9532 B10R0.18 CC[C@H](C)CN(C)CCOC 2230a_100000743101_100009816398 [0,2,0,0,0,0|2,0,0]=4 9533 B10R0.18 CC[C@H](C)CN(C)CCOC 269982a_100000743101_100009816398 [0,2,0,0,0,0|2,0,0]=4 9534 B10R0.18 CC[C@H](C)CN(C)CCSC 2230a_100000686725_100009816398 [0,2,0,0,0,0|2,0,0]=4 9535 B10R0.18 CC[C@H](C)CN(C)CCSC 269982a_100000686725_100009816398 [0,2,0,0,0,0|2,0,0]=4 9536 B10R0.18 CN(CCCF)CC(O)CO 2230a_100011216503_100011934791 [0,2,0,0,0,0|2,0,0]=4 9537 B10R0.18 CN(CCCF)CC(O)CO 269982a_100011216503_100011934791 [0,2,0,0,0,0|2,0,0]=4 9538 B10R0.18 CN(CCCO)CC(O)CO 2230a_100000213112_100011219619 [0,2,0,0,0,0|2,0,0]=4 9539 B10R0.18 CN(CCCO)CC(O)CO 2230a_100011216503_100000230001 [0,2,0,0,0,0|2,0,0]=4 9540 B10R0.18 CN(CCCO)CC(O)CO 269982a_100011216503_100011215043 [0,2,0,0,0,0|2,0,0]=4 9541 B10R0.18 CN(CCCO)C[C@@H](O)CF 2230a_100000213112_100015614560 [0,2,0,0,0,0|2,0,0]=4 9542 B10R0.18 CN(CCCO)C[C@@H](O)CO 2230a_100000213112_100009815848 [0,2,0,0,0,0|2,0,0]=4 9543 B10R0.18 COCCN(C)CC(O)CO 2230a_100000743101_100011219619 [0,2,0,0,0,0|2,0,0]=4 9544 B10R0.18 COCCN(C)CC(O)CO 2230a_100011216503_100011201679 [0,2,0,0,0,0|2,0,0]=4 9545 B10R0.18 COCCN(C)CC(O)CO 269982a_100011216503_100000233755 [0,2,0,0,0,0|2,0,0]=4 9546 B10R0.18 COCCN(C)C[C@@H](O)CF 2230a_100000743101_100015614560 [0,2,0,0,0,0|2,0,0]=4 9547 B10R0.18 COCCN(C)C[C@@H](O)CO 2230a_100000743101_100009815848 [0,2,0,0,0,0|2,0,0]=4 9548 B10R0.18 CSCCN(C)CC(O)CO 2230a_100000686725_100011219619 [0,2,0,0,0,0|2,0,0]=4 9549 B10R0.18 CSCCN(C)CC(O)CO 2230a_100011216503_100000751147 [0,2,0,0,0,0|2,0,0]=4 9550 B10R0.18 CSCCN(C)CC(O)CO 269982a_100011216503_100000212216 [0,2,0,0,0,0|2,0,0]=4 9551 B10R0.18 CSCCN(C)C[C@@H](O)CF 2230a_100000686725_100015614560 [0,2,0,0,0,0|2,0,0]=4 9552 B10R0.18 CSCCN(C)C[C@@H](O)CO 2230a_100000686725_100009815848 [0,2,0,0,0,0|2,0,0]=4 9553 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,2,0,0,0,0|0,0,2]=4 9554 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,2,0,0,0,0|0,0,2]=4 9555 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,2,0,0,0,0|0,0,2]=4 9556 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,2,0,0,0,0|0,0,2]=4 9557 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,2,0,0,0,0|0,0,2]=4 9558 B10R0.26 CCCC(C)CN(C)C(C)C 269982a_200000211004_100011216630 [0,2,0,0,0,0|2,0,0]=4 9559 B10R0.26 CCCC(C)CN(C)C(C)C 270004a_200000211004_100000243154 [0,2,0,0,0,0|2,0,0]=4 9560 B10R0.26 CCCC(C)NC(C)C(C)C 2230a_100000211541_100000766640 [0,2,0,0,0,0|2,0,0]=4 9561 B10R0.26 CCCC(C)NC(C)C(C)C 270004a_100000211541_100000211909 [0,2,0,0,0,0|2,0,0]=4 9562 B10R0.26 CCCC(C)OC(C)C(C)C 7a_100000748068_100000766640 [0,2,0,0,0,0|2,0,0]=4 9563 B10R0.29 C#CC(CCC)OC(C)CC 34a_200011217317_100011215416 [0,2,0,0,0,0|2,0,0]=4 9564 B10R0.29 C#CC(CCC)OC(C)CC 7a_200011217317_100000758301 [0,2,0,0,0,0|2,0,0]=4 9565 B10R0.29 C=CC(CCC)OC(C)CC 34a_100011216692_100011215416 [0,2,0,0,0,0|2,0,0]=4 9566 B10R0.29 C=CC(CCC)OC(C)CC 7a_100011216692_100000758301 [0,2,0,0,0,0|2,0,0]=4 9567 B10R0.29 CCC(O)CN(CC)CCF 2230a_100011365200_100011217306 [0,2,0,0,0,0|2,0,0]=4 9568 B10R0.29 CCC(O)CN(CC)CCF 269982a_100011365200_100011217306 [0,2,0,0,0,0|2,0,0]=4 9569 B10R0.29 CCC(O)CN(CC)CCO 2230a_100000210973_100011218378 [0,2,0,0,0,0|2,0,0]=4 9570 B10R0.29 CCC(O)CN(CC)CCO 2230a_100011365200_100000211926 [0,2,0,0,0,0|2,0,0]=4 9571 B10R0.29 CCC(O)CN(CC)CCO 269982a_100000210973_100011218378 [0,2,0,0,0,0|2,0,0]=4 9572 B10R0.29 CCC(O)CN(CC)CCO 269982a_100011365200_100000211926 [0,2,0,0,0,0|2,0,0]=4 9573 B10R0.29 CCC(O)CN(CC)COC 2230a_100011365200_100000766300 [0,2,0,0,0,0|2,0,0]=4 9574 B10R0.29 CCC(O)CN(CC)COC 269982a_100011365200_100000766300 [0,2,0,0,0,0|2,0,0]=4 9575 B10R0.29 CCC(O)CN(CC)CSC 2230a_100011365200_100011218213 [0,2,0,0,0,0|2,0,0]=4 9576 B10R0.29 CCC(O)CN(CC)CSC 269982a_100011365200_100011218213 [0,2,0,0,0,0|2,0,0]=4 9577 B10R0.29 CCCC(C#N)OC(C)CC 34a_100000686963_100011215416 [0,2,0,0,0,0|2,0,0]=4 9578 B10R0.29 CCCC(C#N)OC(C)CC 7a_100000686963_100000758301 [0,2,0,0,0,0|2,0,0]=4 9579 B10R0.29 CCCC(CC)NC(C)CC 2230a_100000747048_100000758301 [0,2,0,0,0,0|2,0,0]=4 9580 B10R0.29 CCCC(CC)NC(C)CC 270004a_100000209981_100000687865 [0,2,0,0,0,0|2,0,0]=4 9581 B10R0.29 CCCC(CC)OC(C)CC 34a_100000687864_100011215416 [0,2,0,0,0,0|2,0,0]=4 9582 B10R0.29 CCCC(CC)OC(C)CC 7a_100000210228_100011219200 [0,2,0,0,0,0|2,0,0]=4 9583 B10R0.29 CCCC(CC)OC(C)CC 7a_100000687864_100000758301 [0,2,0,0,0,0|2,0,0]=4 9584 B10R0.29 CCCC(CC)SC(C)CC 62a_100000758301_100011219200 [0,2,0,0,0,0|2,0,0]=4 9585 B10R0.29 CCCC(CC)SC(C)CC 62a_100011219200_100000758301 [0,2,0,0,0,0|2,0,0]=4 9586 B10R0.29 CCCN(CC)CC(C)CC 2230a_100000226822_100000748023 [0,2,0,0,0,0|2,0,0]=4 9587 B10R0.29 CCCN(CC)CC(C)CC 269982a_100000226822_100000748023 [0,2,0,0,0,0|2,0,0]=4 9588 B10R0.29 CCCN(CC)CC(C)CC 270004a_100000226822_100000243153 [0,2,0,0,0,0|2,0,0]=4 9589 B10R0.29 CCCN(CC)CC(O)CC 2230a_100000226822_100011218378 [0,2,0,0,0,0|1,0,0]=3 9590 B10R0.29 CCCN(CC)CC(O)CC 2230a_100011365200_100000210303 [0,2,0,0,0,0|1,0,0]=3 9591 B10R0.29 CCCN(CC)CC(O)CC 269982a_100000226822_100011218378 [0,2,0,0,0,0|1,0,0]=3 9592 B10R0.29 CCCN(CC)CC(O)CC 269982a_100011365200_100000210303 [0,2,0,0,0,0|1,0,0]=3 9593 B10R0.29 CCCN(CC)CC(O)CO 2230a_100000226822_100011219619 [0,2,0,0,0,0|2,0,0]=4 9594 B10R0.29 CCCN(CC)CC(O)CO 2230a_200000156893_100000210202 [0,2,0,0,0,0|2,0,0]=4 9595 B10R0.29 CCCN(CC)CC(O)CO 269982a_200000156893_100000204670 [0,2,0,0,0,0|2,0,0]=4 9596 B10R0.29 CCCN(CC)C[C@@H](C)CC 2230a_100000226822_100009816398 [0,2,0,0,0,0|2,0,0]=4 9597 B10R0.29 CCCN(CC)C[C@@H](C)CC 269982a_100000226822_100009816398 [0,2,0,0,0,0|2,0,0]=4 9598 B10R0.29 CCCN(CC)C[C@@H](O)CF 2230a_100000226822_100015614560 [0,2,0,0,0,0|2,0,0]=4 9599 B10R0.29 CCCN(CC)C[C@@H](O)CO 2230a_100000226822_100009815848 [0,2,0,0,0,0|2,0,0]=4 9600 B10R0.29 CCCN(CF)CC(O)CO 269982a_200000156893_100015361967 [0,2,0,0,0,0|2,0,0]=4 9601 B10R0.29 CCC[C@@H](CO)NC(C)CC 2230a_100000732646_100000758301 [0,2,0,0,0,0|2,0,0]=4 9602 B10R0.29 CCC[C@@H](CO)NC(C)CC 34a_100000732646_100011215416 [0,2,0,0,0,0|2,0,0]=4 9603 B10R0.29 CCNC(CC)CC(C)CC 270004a_100015525214_100000184709 [0,2,0,0,0,0|2,0,0]=4 9604 B10R0.29 CCOC(CC)CC(C)CC 7a_200011216566_100000210202 [0,2,0,0,0,0|2,0,0]=4 9605 B10R0.34 C#CC(CC)OC(C)CCC 34a_100000758843_100000766640 [0,2,0,0,0,0|2,0,0]=4 9606 B10R0.34 C#CC(CC)OC(C)CCC 7a_100000758843_100000766640 [0,2,0,0,0,0|2,0,0]=4 9607 B10R0.34 C=CC(CC)OC(C)CCC 34a_100000766422_100000766640 [0,2,0,0,0,0|2,0,0]=4 9608 B10R0.34 C=CC(CC)OC(C)CCC 7a_100000766422_100000766640 [0,2,0,0,0,0|2,0,0]=4 9609 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [0,2,0,0,0,0|1,0,1]=4 9610 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [0,2,0,0,0,0|1,0,1]=4 9611 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [0,2,0,0,0,0|1,0,1]=4 9612 B10R0.34 CCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000211992 [0,2,0,0,0,0|1,0,1]=4 9613 B10R0.34 CCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000211992 [0,2,0,0,0,0|1,0,1]=4 9614 B10R0.34 CCCC(C)CN(CC)CC 2230a_100000724800_100011216630 [0,2,0,0,0,0|2,0,0]=4 9615 B10R0.34 CCCC(C)CN(CC)CC 269956a_100000042499_100011216630 [0,2,0,0,0,0|2,0,0]=4 9616 B10R0.34 CCCC(C)CN(CC)CC 269982a_100000724800_100011216630 [0,2,0,0,0,0|2,0,0]=4 9617 B10R0.34 CCCC(C)CN(CC)CC 270004a_100000724800_100000243154 [0,2,0,0,0,0|2,0,0]=4 9618 B10R0.34 CCCC(C)NC(CC)CC 2230a_100000199018_100000766640 [0,2,0,0,0,0|2,0,0]=4 9619 B10R0.34 CCCC(C)NC(CC)CC 270004a_100000199018_100000211909 [0,2,0,0,0,0|2,0,0]=4 9620 B10R0.34 CCCC(C)NC(CC)CC 270004a_100000741246_100000210860 [0,2,0,0,0,0|2,0,0]=4 9621 B10R0.34 CCCC(C)NC(CO)CO 2230a_100000759517_100000766640 [0,2,0,0,0,0|2,0,0]=4 9622 B10R0.34 CCCC(C)N[C@@H](CC)CO 2230a_100000709445_100000766640 [0,2,0,0,0,0|1,0,0]=3 9623 B10R0.34 CCCC(C)N[C@@H](CC)CO 270004a_100000709445_100000211909 [0,2,0,0,0,0|1,0,0]=3 9624 B10R0.34 CCCC(C)OC(CC)CC 7a_100000688536_100000766640 [0,2,0,0,0,0|2,0,0]=4 9625 B10R0.34 CCCC(C)OC(CC)CC 7a_100000764384_100000210505 [0,2,0,0,0,0|2,0,0]=4 9626 B10R0.34 CCCC(C)SC(CC)CC 62a_100000210505_100000766640 [0,2,0,0,0,0|2,0,0]=4 9627 B10R0.34 CCCC(C)SC(CC)CC 62a_100000766640_100000210505 [0,2,0,0,0,0|2,0,0]=4 9628 B10R0.34 CCCN(C)CC(CC)CC 2230a_100000747261_100011215472 [0,2,0,0,0,0|2,0,0]=4 9629 B10R0.34 CCCN(C)CC(CC)CC 269982a_100000747261_100011215472 [0,2,0,0,0,0|2,0,0]=4 9630 B10R0.34 CCCN(C)CC(CC)CC 270004a_100000747261_100000211137 [0,2,0,0,0,0|2,0,0]=4 9631 B10R0.34 CCCN(C)CC(OC)OC 2230a_100000747261_100000751394 [0,2,0,0,0,0|2,0,0]=4 9632 B10R0.34 CCCN(C)CC(OC)OC 269982a_100000225562_100000210303 [0,2,0,0,0,0|2,0,0]=4 9633 B10R0.34 CCCN(C)CC(OC)OC 270004a_100000747261_100000752162 [0,2,0,0,0,0|2,0,0]=4 9634 B10R0.34 CCNC(C)CC(OC)OC 270004a_100015525214_100000210484 [0,2,0,0,0,0|2,0,0]=4 9635 B10R0.34 CCOC(C)CC(OC)OC 7a_100011018202_100000210202 [0,2,0,0,0,0|2,0,0]=4 9636 B10R0.34 CC[C@@H](CO)NC(C)CCO 2230a_100000709445_100009893172 [0,2,0,0,0,0|2,0,0]=4 9637 B10R0.34 CC[C@@H](CO)NC(C)COC 2230a_100000709445_100000765312 [0,2,0,0,0,0|2,0,0]=4 9638 B10R0.34 CC[C@@H](CO)NC(C)COC 270004a_100000709445_100000749346 [0,2,0,0,0,0|2,0,0]=4 9639 B10R0.34 CC[C@@H](CO)NC(C)CSC 270004a_100000709445_100011216314 [0,2,0,0,0,0|2,0,0]=4 9640 B10R0.148 CCCC(C)(C)OC(C)CC 7a_100000748436_100000758301 [0,2,0,0,0,0|2,0,0]=4 9641 B10R0.148 CCCC(C)(O)CC(=O)CC 1458a_100011667670_100000210202 [0,2,0,0,0,0|0,0,2]=4 9642 B10R0.41 C#CC(CC)OCCCCC 34a_100000758843_100000718602 [0,2,0,0,0,0|1,0,0]=3 9643 B10R0.41 C#CC(CC)OCCCCC 7a_100000758843_100000210326 [0,2,0,0,0,0|1,0,0]=3 9644 B10R0.41 C#CC(CC)OCCCCF 34a_100000758843_100000729493 [0,2,0,0,0,0|2,0,0]=4 9645 B10R0.41 C#CC(CC)OCCCCF 7a_100000758843_100000729493 [0,2,0,0,0,0|2,0,0]=4 9646 B10R0.41 C#CC(CC)OCCCCO 34a_100000758843_100011216708 [0,2,0,0,0,0|2,0,0]=4 9647 B10R0.41 C#CC(CC)OCCCCO 7a_100000758843_100000210776 [0,2,0,0,0,0|2,0,0]=4 9648 B10R0.41 C#CC(CC)OCCCOC 34a_100000758843_100000740836 [0,2,0,0,0,0|2,0,0]=4 9649 B10R0.41 C#CC(CC)OCCCOC 7a_100000758843_100000740836 [0,2,0,0,0,0|2,0,0]=4 9650 B10R0.41 C#CC(CC)OCCOCC 34a_100000758843_100000210147 [0,2,0,0,0,0|2,0,0]=4 9651 B10R0.41 C#CC(CC)OCCOCC 7a_100000758843_100011215890 [0,2,0,0,0,0|2,0,0]=4 9652 B10R0.41 C#CC(CC)OCCSCC 34a_100000758843_100000757381 [0,2,0,0,0,0|2,0,0]=4 9653 B10R0.41 C#CC(CC)OCCSCC 7a_100000758843_100000757381 [0,2,0,0,0,0|2,0,0]=4 9654 B10R0.41 C#CC(CCCCCBr)OC 34a_200010408556_200000210301 [0,2,0,0,0,0|0,0,2]=4 9655 B10R0.41 C#CC(CCCCCBr)OC 7a_200010408556_200000210301 [0,2,0,0,0,0|0,0,2]=4 9656 B10R0.41 C#CC(CCCCCBr)O[13CH3] 34a_200010408556_200025704644 [0,2,0,0,0,0|0,0,2]=4 9657 B10R0.41 C#CC(CCCCCBr)O[13CH3] 7a_200010408556_200025704644 [0,2,0,0,0,0|0,0,2]=4 9658 B10R0.41 C#CCCCN[C@@H](CC)CO 2230a_100000709445_100000731252 [0,2,0,0,0,0|0,0,2]=4 9659 B10R0.41 C#CCCOCC(CC)OC 34a_100011934954_100000688953 [0,2,0,0,0,0|0,0,2]=4 9660 B10R0.41 C#CCCOCC(CC)OC 7a_100011934954_100000688953 [0,2,0,0,0,0|0,0,2]=4 9661 B10R0.41 C/C=C/COCC(CC)OC 34a_100011934954_100102629194 [0,2,0,0,0,0|0,0,2]=4 9662 B10R0.41 C/C=C/COCC(CC)OC 7a_100011934954_100102629194 [0,2,0,0,0,0|0,0,2]=4 9663 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [0,2,0,0,0,0|1,0,0]=3 9664 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [0,2,0,0,0,0|1,0,0]=3 9665 B10R0.41 C=CC(CC)OCCCCF 34a_100000766422_100000729493 [0,2,0,0,0,0|2,0,0]=4 9666 B10R0.41 C=CC(CC)OCCCCF 7a_100000766422_100000729493 [0,2,0,0,0,0|2,0,0]=4 9667 B10R0.41 C=CC(CC)OCCCCO 34a_100000766422_100011216708 [0,2,0,0,0,0|2,0,0]=4 9668 B10R0.41 C=CC(CC)OCCCCO 7a_100000766422_100000210776 [0,2,0,0,0,0|2,0,0]=4 9669 B10R0.41 C=CC(CC)OCCCOC 34a_100000766422_100000740836 [0,2,0,0,0,0|2,0,0]=4 9670 B10R0.41 C=CC(CC)OCCCOC 7a_100000766422_100000740836 [0,2,0,0,0,0|2,0,0]=4 9671 B10R0.41 C=CC(CC)OCCOCC 34a_100000766422_100000210147 [0,2,0,0,0,0|2,0,0]=4 9672 B10R0.41 C=CC(CC)OCCOCC 7a_100000766422_100011215890 [0,2,0,0,0,0|2,0,0]=4 9673 B10R0.41 C=CC(CC)OCCSCC 34a_100000766422_100000757381 [0,2,0,0,0,0|2,0,0]=4 9674 B10R0.41 C=CC(CC)OCCSCC 7a_100000766422_100000757381 [0,2,0,0,0,0|2,0,0]=4 9675 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|0,0,2]=4 9676 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|0,0,2]=4 9677 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|0,0,2]=4 9678 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|0,0,2]=4 9679 B10R0.41 C=CCCCN[C@@H](CC)CO 2230a_100000709445_100011713584 [0,2,0,0,0,0|0,0,2]=4 9680 B10R0.41 C=CCCOCC(CC)OC 34a_100011934954_100000754431 [0,2,0,0,0,0|0,0,2]=4 9681 B10R0.41 C=CCCOCC(CC)OC 7a_100011934954_100000754431 [0,2,0,0,0,0|0,0,2]=4 9682 B10R0.41 C=C[C@@H](CO)NCCCCC 2230a_100016989147_100000210326 [0,2,0,0,0,0|0,0,2]=4 9683 B10R0.41 C=C[C@@H](CO)NCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|0,0,2]=4 9684 B10R0.41 CC#CCOCC(CC)OC 34a_100011934954_100000748600 [0,2,0,0,0,0|0,0,2]=4 9685 B10R0.41 CC#CCOCC(CC)OC 7a_100011934954_100000748600 [0,2,0,0,0,0|0,0,2]=4 9686 B10R0.41 CC/C=C\CN[C@@H](CC)CO 2230a_100000709445_100103147603 [0,2,0,0,0,0|0,0,2]=4 9687 B10R0.41 CC=CCOCC(CC)OC 34a_100011934954_100000070051 [0,2,0,0,0,0|0,0,2]=4 9688 B10R0.41 CC=CCOCC(CC)OC 7a_100011934954_100000070051 [0,2,0,0,0,0|0,0,2]=4 9689 B10R0.41 CCC#CCN[C@@H](CC)CO 2230a_100000709445_100009813939 [0,2,0,0,0,0|0,0,2]=4 9690 B10R0.41 CCC(CC)CNCCCF 2230a_100015189416_100011215472 [0,2,0,0,0,0|2,0,0]=4 9691 B10R0.41 CCC(CC)CNCCCF 2230a_100102946423_100011934791 [0,2,0,0,0,0|2,0,0]=4 9692 B10R0.41 CCC(CC)CNCCCF 269862a_100015189416_100000211137 [0,2,0,0,0,0|2,0,0]=4 9693 B10R0.41 CCC(CC)CNCCCF 270004a_100015189416_100000211137 [0,2,0,0,0,0|2,0,0]=4 9694 B10R0.41 CCC(CC)CNCCCF 34a_100015189416_100011215472 [0,2,0,0,0,0|2,0,0]=4 9695 B10R0.41 CCC(CC)CNCCCO 2230a_100102946423_100000230001 [0,2,0,0,0,0|2,0,0]=4 9696 B10R0.41 CCC(CC)CNCCCO 269862a_100000182051_100000211137 [0,2,0,0,0,0|2,0,0]=4 9697 B10R0.41 CCC(CC)CNCCCO 270004a_100000182051_100000211137 [0,2,0,0,0,0|2,0,0]=4 9698 B10R0.41 CCC(CC)CNCCOC 2230a_100000209980_100011215472 [0,2,0,0,0,0|2,0,0]=4 9699 B10R0.41 CCC(CC)CNCCOC 2230a_100102946423_100011201679 [0,2,0,0,0,0|2,0,0]=4 9700 B10R0.41 CCC(CC)CNCCOC 269862a_100000209980_100000211137 [0,2,0,0,0,0|2,0,0]=4 9701 B10R0.41 CCC(CC)CNCCOC 270004a_100000209980_100000211137 [0,2,0,0,0,0|2,0,0]=4 9702 B10R0.41 CCC(CC)CNCCSC 2230a_100020590264_100011215472 [0,2,0,0,0,0|2,0,0]=4 9703 B10R0.41 CCC(CC)CNCCSC 2230a_100102946423_100000751147 [0,2,0,0,0,0|2,0,0]=4 9704 B10R0.41 CCC(CC)CNCCSC 269862a_100020590264_100000211137 [0,2,0,0,0,0|2,0,0]=4 9705 B10R0.41 CCC(CC)CNCCSC 270004a_100020590264_100000211137 [0,2,0,0,0,0|2,0,0]=4 9706 B10R0.41 CCC(CC)COCCCBr 34a_100011217188_100011215472 [0,2,0,0,0,0|2,0,0]=4 9707 B10R0.41 CCC(CC)COCCCCl 34a_100000230001_100011215472 [0,2,0,0,0,0|2,0,0]=4 9708 B10R0.41 CCC(CC)COCCCF 34a_100000759539_100011215472 [0,2,0,0,0,0|2,0,0]=4 9709 B10R0.41 CCC(CC)COCCCF 7a_100000703878_100011934791 [0,2,0,0,0,0|2,0,0]=4 9710 B10R0.41 CCC(CC)COCCCN 34a_100000182051_100011215472 [0,2,0,0,0,0|2,0,0]=4 9711 B10R0.41 CCC(CC)COCCCO 7a_100000703878_100011215043 [0,2,0,0,0,0|2,0,0]=4 9712 B10R0.41 CCC(CC)COCCOC 34a_100000210237_100011215472 [0,2,0,0,0,0|2,0,0]=4 9713 B10R0.41 CCC(CC)COCCOC 7a_100000703878_100000233755 [0,2,0,0,0,0|2,0,0]=4 9714 B10R0.41 CCC(CC)COCCSC 34a_100000230434_100011215472 [0,2,0,0,0,0|2,0,0]=4 9715 B10R0.41 CCC(CC)COCCSC 7a_100000230434_100011215472 [0,2,0,0,0,0|2,0,0]=4 9716 B10R0.41 CCC(CC)COCCSC 7a_100000703878_100000212216 [0,2,0,0,0,0|2,0,0]=4 9717 B10R0.41 CCC(CC)CSCCCF 62a_100011215472_100011934791 [0,2,0,0,0,0|2,0,0]=4 9718 B10R0.41 CCC(CC)CSCCCF 62a_100011934791_100011215472 [0,2,0,0,0,0|2,0,0]=4 9719 B10R0.41 CCC(CC)CSCCCO 62a_100011215043_100011215472 [0,2,0,0,0,0|2,0,0]=4 9720 B10R0.41 CCC(CC)CSCCCO 62a_100011215472_100011215043 [0,2,0,0,0,0|2,0,0]=4 9721 B10R0.41 CCC(CC)CSCCOC 62a_100000233755_100011215472 [0,2,0,0,0,0|2,0,0]=4 9722 B10R0.41 CCC(CC)CSCCOC 62a_100011215472_100000233755 [0,2,0,0,0,0|2,0,0]=4 9723 B10R0.41 CCC(CC)CSCCSC 62a_100000212216_100011215472 [0,2,0,0,0,0|2,0,0]=4 9724 B10R0.41 CCC(CC)CSCCSC 62a_100011215472_100000751147 [0,2,0,0,0,0|2,0,0]=4 9725 B10R0.41 CCC(CC)NCCCCF 2230a_100000199018_100000729493 [0,2,0,0,0,0|2,0,0]=4 9726 B10R0.41 CCC(CC)NCCCCO 2230a_100000199018_100000210776 [0,2,0,0,0,0|2,0,0]=4 9727 B10R0.41 CCC(CC)NCCCCO 270004a_100000750430_100000210860 [0,2,0,0,0,0|2,0,0]=4 9728 B10R0.41 CCC(CC)NCCCOC 2230a_100000199018_100000740836 [0,2,0,0,0,0|2,0,0]=4 9729 B10R0.41 CCC(CC)NCCCOC 270004a_100150723488_100000210860 [0,2,0,0,0,0|2,0,0]=4 9730 B10R0.41 CCC(CC)NCCCSC 270004a_100000749238_100000210860 [0,2,0,0,0,0|2,0,0]=4 9731 B10R0.41 CCC(CC)OCCCCCl 7a_100000210776_100000210505 [0,2,0,0,0,0|2,0,0]=4 9732 B10R0.41 CCC(CC)OCCCCF 7a_100000688536_100000729493 [0,2,0,0,0,0|2,0,0]=4 9733 B10R0.41 CCC(CC)OCCCCF 7a_100011995726_100000210505 [0,2,0,0,0,0|2,0,0]=4 9734 B10R0.41 CCC(CC)OCCCCO 7a_100000688536_100000210776 [0,2,0,0,0,0|2,0,0]=4 9735 B10R0.41 CCC(CC)OCCCOC 7a_100000688536_100000740836 [0,2,0,0,0,0|2,0,0]=4 9736 B10R0.41 CCC(CC)OCCCSC 7a_100000690336_100000210505 [0,2,0,0,0,0|2,0,0]=4 9737 B10R0.41 CCC(CC)SCCCCF 62a_100000210505_100000729493 [0,2,0,0,0,0|2,0,0]=4 9738 B10R0.41 CCC(CC)SCCCCF 62a_100000729493_100000210505 [0,2,0,0,0,0|2,0,0]=4 9739 B10R0.41 CCC(CC)SCCCCO 62a_100000210505_100000210776 [0,2,0,0,0,0|2,0,0]=4 9740 B10R0.41 CCC(CC)SCCCCO 62a_100000210776_100000210505 [0,2,0,0,0,0|2,0,0]=4 9741 B10R0.41 CCC(CC)SCCCOC 62a_100000210505_100000709357 [0,2,0,0,0,0|2,0,0]=4 9742 B10R0.41 CCC(CC)SCCCOC 62a_100000709357_100000210505 [0,2,0,0,0,0|2,0,0]=4 9743 B10R0.41 CCC(COCCC#N)OC 7a_100011934954_100000184422 [0,2,0,0,0,0|1,0,1]=4 9744 B10R0.41 CCC(COCCCF)OC 34a_100011934954_100011934791 [0,2,0,0,0,0|1,0,0]=3 9745 B10R0.41 CCC(COCCCF)OC 7a_100011934954_100011934791 [0,2,0,0,0,0|1,0,0]=3 9746 B10R0.41 CCC(COCCCO)OC 34a_100011934954_100000230001 [0,2,0,0,0,0|1,0,0]=3 9747 B10R0.41 CCC(COCCCO)OC 7a_100011934954_100011215043 [0,2,0,0,0,0|1,0,0]=3 9748 B10R0.41 CCC(COCCOC)OC 34a_100011934954_100011201679 [0,2,0,0,0,0|1,0,0]=3 9749 B10R0.41 CCC(COCCOC)OC 7a_100011934954_100000233755 [0,2,0,0,0,0|1,0,0]=3 9750 B10R0.41 CCC(COCCSC)OC 34a_100011934954_100000212216 [0,2,0,0,0,0|1,0,0]=3 9751 B10R0.41 CCC(COCCSC)OC 7a_100011934954_100000212216 [0,2,0,0,0,0|1,0,0]=3 9752 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [0,2,0,0,0,0|1,0,0]=3 9753 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,2,0,0,0,0|0,0,0]=2 9754 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,2,0,0,0,0|0,0,0]=2 9755 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,2,0,0,0,0|0,0,0]=2 9756 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,2,0,0,0,0|0,0,0]=2 9757 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [0,2,0,0,0,0|2,0,0]=4 9758 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [0,2,0,0,0,0|2,0,0]=4 9759 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [0,2,0,0,0,0|2,0,0]=4 9760 B10R0.41 CCCCCNC(CC)CC 2230a_100000199018_100000210326 [0,2,0,0,0,0|1,0,0]=3 9761 B10R0.41 CCCCCNC(CC)CC 270004a_100000209983_100000210860 [0,2,0,0,0,0|1,0,0]=3 9762 B10R0.41 CCCCCNC(CO)CO 2230a_100000759517_100000210326 [0,2,0,0,0,0|1,0,0]=3 9763 B10R0.41 CCCCCN[C@@H](CC)CO 2230a_100000709445_100000210326 [0,2,0,0,0,0|0,0,0]=2 9764 B10R0.41 CCCCCOC(CC)CC 7a_100000210253_100000210505 [0,2,0,0,0,0|1,0,0]=3 9765 B10R0.41 CCCCCOC(CC)CC 7a_100000688536_100000210326 [0,2,0,0,0,0|1,0,0]=3 9766 B10R0.41 CCCCCOC(CCl)CCl 7a_100000737055_100000210326 [0,2,0,0,0,0|2,0,0]=4 9767 B10R0.41 CCCCCOC(CF)CF 34a_100000032261_100000718602 [0,2,0,0,0,0|2,0,0]=4 9768 B10R0.41 CCCCCOC(CF)CF 7a_100000032261_100000210326 [0,2,0,0,0,0|2,0,0]=4 9769 B10R0.41 CCCCCOC(CN)CN 34a_100000031598_100000718602 [0,2,0,0,0,0|2,0,0]=4 9770 B10R0.41 CCCCCO[C@@H](CF)CCl 34a_100015614560_100000718602 [0,2,0,0,0,0|2,0,0]=4 9771 B10R0.41 CCCCCO[C@@H](CF)CCl 7a_100015614560_100000210326 [0,2,0,0,0,0|2,0,0]=4 9772 B10R0.41 CCCCCSC(CC)CC 62a_100000210326_100000210505 [0,2,0,0,0,0|1,0,0]=3 9773 B10R0.41 CCCCCSC(CC)CC 62a_100000210505_100000210326 [0,2,0,0,0,0|1,0,0]=3 9774 B10R0.41 CCCCNCC(CC)CC 2230a_100000102301_100011215472 [0,2,0,0,0,0|1,0,0]=3 9775 B10R0.41 CCCCNCC(CC)CC 2230a_100102946423_100000210211 [0,2,0,0,0,0|1,0,0]=3 9776 B10R0.41 CCCCNCC(CC)CC 269862a_100000102301_100000211137 [0,2,0,0,0,0|1,0,0]=3 9777 B10R0.41 CCCCNCC(CC)CC 270004a_100000102301_100000211137 [0,2,0,0,0,0|1,0,0]=3 9778 B10R0.41 CCCCNCC(CC)CC 7a_106832991798_100011215472 [0,2,0,0,0,0|1,0,0]=3 9779 B10R0.41 CCCCNCC(OC)OC 2230a_100000102301_100000751394 [0,2,0,0,0,0|1,0,0]=3 9780 B10R0.41 CCCCNCC(OC)OC 270004a_100000102301_100000752162 [0,2,0,0,0,0|1,0,0]=3 9781 B10R0.41 CCCCNCC(OC)OC 7a_106832991798_100000751394 [0,2,0,0,0,0|1,0,0]=3 9782 B10R0.41 CCCCNN=C(CC)CO 4a_100025702795_100000725409 [0,2,0,0,0,0|1,0,1]=4 9783 B10R0.41 CCCCOCC(CC)CC 34a_100000210227_100011215472 [0,2,0,0,0,0|1,0,0]=3 9784 B10R0.41 CCCCOCC(CC)CC 7a_100000210227_100011215472 [0,2,0,0,0,0|1,0,0]=3 9785 B10R0.41 CCCCOCC(CC)CC 7a_100000703878_100000210211 [0,2,0,0,0,0|1,0,0]=3 9786 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [0,2,0,0,0,0|0,0,0]=2 9787 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [0,2,0,0,0,0|0,0,0]=2 9788 B10R0.41 CCCCOCC(OC)OC 34a_100000210227_100000211822 [0,2,0,0,0,0|1,0,0]=3 9789 B10R0.41 CCCCOCC(OC)OC 34a_100011216393_100000210210 [0,2,0,0,0,0|1,0,0]=3 9790 B10R0.41 CCCCOCC(OC)OC 7a_100000210227_100000751394 [0,2,0,0,0,0|1,0,0]=3 9791 B10R0.41 CCCCOCN(CC)CC 2230a_100000724800_100011995733 [0,2,0,0,0,0|2,0,0]=4 9792 B10R0.41 CCCCOCN(CC)CC 269956a_100000042499_100011995733 [0,2,0,0,0,0|2,0,0]=4 9793 B10R0.41 CCCCOCN(CC)CC 269982a_100000724800_100011995733 [0,2,0,0,0,0|2,0,0]=4 9794 B10R0.41 CCCCOCN(CC)CC 7a_200015374951_100000210211 [0,2,0,0,0,0|2,0,0]=4 9795 B10R0.41 CCCCSCC(CC)CC 62a_100000210211_100011215472 [0,2,0,0,0,0|1,0,0]=3 9796 B10R0.41 CCCCSCC(CC)CC 62a_100011215472_100000210210 [0,2,0,0,0,0|1,0,0]=3 9797 B10R0.41 CCCCSCC(OC)OC 62a_100000210211_100000751394 [0,2,0,0,0,0|1,0,0]=3 9798 B10R0.41 CCCCSCC(OC)OC 62a_100000751394_100000210210 [0,2,0,0,0,0|1,0,0]=3 9799 B10R0.41 CCCNCCN(CC)CC 2230a_100015382049_100000210303 [0,2,0,0,0,0|2,0,0]=4 9800 B10R0.41 CCCOCCC(OC)OC 34a_100000210258_100000139399 [0,2,0,0,0,0|1,0,0]=3 9801 B10R0.41 CCCOCCN(CC)CC 2230a_100000724800_100011215938 [0,2,0,0,0,0|2,0,0]=4 9802 B10R0.41 CCCOCCN(CC)CC 269956a_100000042499_100011215938 [0,2,0,0,0,0|2,0,0]=4 9803 B10R0.41 CCCOCCN(CC)CC 269982a_100000724800_100011215938 [0,2,0,0,0,0|2,0,0]=4 9804 B10R0.41 CCCOCCN(CC)CC 7a_100016990331_100000210303 [0,2,0,0,0,0|2,0,0]=4 9805 B10R0.41 CCCSCCC(OC)OC 62a_100000139399_100000210303 [0,2,0,0,0,0|1,0,0]=3 9806 B10R0.41 CCCSCCC(OC)OC 62a_100000210303_100000139399 [0,2,0,0,0,0|1,0,0]=3 9807 B10R0.41 CCCSCCN(CC)CC 62a_100000210303_100000700428 [0,2,0,0,0,0|2,0,0]=4 9808 B10R0.41 CCN(CC)CCCCCF 2230a_100000724800_100000729378 [0,2,0,0,0,0|2,0,0]=4 9809 B10R0.41 CCN(CC)CCCCCF 269956a_100000042499_100000729378 [0,2,0,0,0,0|2,0,0]=4 9810 B10R0.41 CCN(CC)CCCCCF 269982a_100000724800_100000729378 [0,2,0,0,0,0|2,0,0]=4 9811 B10R0.41 CCN(CC)CCCCCO 2230a_100000724800_100000746330 [0,2,0,0,0,0|2,0,0]=4 9812 B10R0.41 CCN(CC)CCCCCO 269956a_100000042499_100000746330 [0,2,0,0,0,0|2,0,0]=4 9813 B10R0.41 CCN(CC)CCCCCO 269982a_100000724800_100000746330 [0,2,0,0,0,0|2,0,0]=4 9814 B10R0.41 CCN(CC)CCCCNC 2230a_100000743895_200000210301 [0,2,0,0,0,0|2,0,0]=4 9815 B10R0.41 CCN(CC)CCCCN[13CH3] 2230a_100000743895_200025704644 [0,2,0,0,0,0|2,0,0]=4 9816 B10R0.41 CCN(CC)CCCCOC 2230a_100000724800_100000730899 [0,2,0,0,0,0|2,0,0]=4 9817 B10R0.41 CCN(CC)CCCCOC 269956a_100000042499_100000730899 [0,2,0,0,0,0|2,0,0]=4 9818 B10R0.41 CCN(CC)CCCCOC 269982a_100000724800_100000730899 [0,2,0,0,0,0|2,0,0]=4 9819 B10R0.41 CCN(CC)CCCCOC 7a_100011305530_200000210301 [0,2,0,0,0,0|2,0,0]=4 9820 B10R0.41 CCN(CC)CCCCO[13CH3] 7a_100011305530_200025704644 [0,2,0,0,0,0|2,0,0]=4 9821 B10R0.41 CCN(CCCCOC)N=O 34a_200000035056_200000210301 [0,2,0,0,0,0|1,0,1]=4 9822 B10R0.41 CCN(CCCCO[13CH3])N=O 34a_200000035056_200025704644 [0,2,0,0,0,0|1,0,1]=4 9823 B10R0.41 CCNCCCC(OC)OC 2230a_100015525214_100000069011 [0,2,0,0,0,0|1,0,0]=3 9824 B10R0.41 CCNCCCN(CC)CC 2230a_100015525214_100000709985 [0,2,0,0,0,0|2,0,0]=4 9825 B10R0.41 CCOCCCC(OC)OC 34a_100121572206_100000069011 [0,2,0,0,0,0|1,0,0]=3 9826 B10R0.41 CCOCCCN(CC)CC 2230a_100000724800_100012232248 [0,2,0,0,0,0|2,0,0]=4 9827 B10R0.41 CCOCCCN(CC)CC 269956a_100000042499_100012232248 [0,2,0,0,0,0|2,0,0]=4 9828 B10R0.41 CCOCCCN(CC)CC 269982a_100000724800_100012232248 [0,2,0,0,0,0|2,0,0]=4 9829 B10R0.41 CCOCCCN(CC)CC 7a_100000212844_100000210202 [0,2,0,0,0,0|2,0,0]=4 9830 B10R0.41 CCOCCNC(CC)CC 2230a_100000199018_100011215890 [0,2,0,0,0,0|2,0,0]=4 9831 B10R0.41 CCOCCNC(CC)CC 270004a_102516460346_100000210860 [0,2,0,0,0,0|2,0,0]=4 9832 B10R0.41 CCOCCNC(CO)CO 2230a_100000759517_100011215890 [0,2,0,0,0,0|2,0,0]=4 9833 B10R0.41 CCOCCN[C@@H](CC)CO 2230a_100000709445_100011215890 [0,2,0,0,0,0|1,0,0]=3 9834 B10R0.41 CCOCCOC(CC)CC 7a_100000210136_100000210505 [0,2,0,0,0,0|2,0,0]=4 9835 B10R0.41 CCOCCOC(CC)CC 7a_100000688536_100011215890 [0,2,0,0,0,0|2,0,0]=4 9836 B10R0.41 CCOCCSC(CC)CC 62a_100000210147_100000210505 [0,2,0,0,0,0|2,0,0]=4 9837 B10R0.41 CCOCCSC(CC)CC 62a_100000210505_100011215890 [0,2,0,0,0,0|2,0,0]=4 9838 B10R0.41 CCOCSCC(CC)CC 62a_100000739092_100011215472 [0,2,0,0,0,0|2,0,0]=4 9839 B10R0.41 CCOCSCC(CC)CC 62a_100011215472_100000739092 [0,2,0,0,0,0|2,0,0]=4 9840 B10R0.41 CCOCSCC(OC)OC 62a_100000739092_100000751394 [0,2,0,0,0,0|2,0,0]=4 9841 B10R0.41 CCOCSCC(OC)OC 62a_100000751394_100000739092 [0,2,0,0,0,0|2,0,0]=4 9842 B10R0.41 CCSCCCC(OC)OC 62a_100000069011_100000210202 [0,2,0,0,0,0|1,0,0]=3 9843 B10R0.41 CCSCCCC(OC)OC 62a_100000210202_100000069011 [0,2,0,0,0,0|1,0,0]=3 9844 B10R0.41 CCSCCCN(CC)CC 62a_100000210202_100000709985 [0,2,0,0,0,0|2,0,0]=4 9845 B10R0.41 CCSCCNC(CC)CC 2230a_100000199018_100000757381 [0,2,0,0,0,0|2,0,0]=4 9846 B10R0.41 CCSCCNC(CC)CC 270004a_100000106463_100000210860 [0,2,0,0,0,0|2,0,0]=4 9847 B10R0.41 CCSCCNC(CO)CO 2230a_100000759517_100000757381 [0,2,0,0,0,0|2,0,0]=4 9848 B10R0.41 CCSCCN[C@@H](CC)CO 2230a_100000709445_100000757381 [0,2,0,0,0,0|1,0,0]=3 9849 B10R0.41 CCSCCOC(CC)CC 7a_100000212035_100000210505 [0,2,0,0,0,0|2,0,0]=4 9850 B10R0.41 CCSCCOC(CC)CC 7a_100000688536_100000757381 [0,2,0,0,0,0|2,0,0]=4 9851 B10R0.41 CCSCCSC(CC)CC 62a_100000210505_100000757381 [0,2,0,0,0,0|2,0,0]=4 9852 B10R0.41 CCSCCSC(CC)CC 62a_100000757381_100000210505 [0,2,0,0,0,0|2,0,0]=4 9853 B10R0.41 CC[C@@H](CO)NCCCC#N 2230a_100000709445_100000687738 [0,2,0,0,0,0|1,0,1]=4 9854 B10R0.41 CC[C@@H](CO)NCCCC=O 2230a_100000709445_200011292268 [0,2,0,0,0,0|1,0,1]=4 9855 B10R0.41 CC[C@@H](CO)NCCCCF 2230a_100000709445_100000729493 [0,2,0,0,0,0|1,0,0]=3 9856 B10R0.41 CC[C@@H](CO)NCCCCO 2230a_100000709445_100000210776 [0,2,0,0,0,0|1,0,0]=3 9857 B10R0.41 CC[C@@H](CO)NCCCOC 2230a_100000709445_100000740836 [0,2,0,0,0,0|1,0,0]=3 9858 B10R0.41 COC(CCCSCF)OC 62a_100000069011_100015361967 [0,2,0,0,0,0|2,0,0]=4 9859 B10R0.41 COC(CCCSCF)OC 62a_100015361967_100000069011 [0,2,0,0,0,0|2,0,0]=4 9860 B10R0.41 COC(CCNCCF)OC 34a_100000724931_100000139399 [0,2,0,0,0,0|2,0,0]=4 9861 B10R0.41 COC(CCNCCO)OC 2230a_100016997473_100009813347 [0,2,0,0,0,0|2,0,0]=4 9862 B10R0.41 COC(CCNCCO)OC 34a_100016990907_100000139399 [0,2,0,0,0,0|2,0,0]=4 9863 B10R0.41 COC(CCOCCBr)OC 34a_100000211926_100000139399 [0,2,0,0,0,0|2,0,0]=4 9864 B10R0.41 COC(CCOCCN)OC 34a_100000210304_100000139399 [0,2,0,0,0,0|2,0,0]=4 9865 B10R0.41 COC(CCSCCF)OC 62a_100000139399_100011217306 [0,2,0,0,0,0|2,0,0]=4 9866 B10R0.41 COC(CCSCCF)OC 62a_100011217306_100000139399 [0,2,0,0,0,0|2,0,0]=4 9867 B10R0.41 COC(CCSCCO)OC 62a_100000139399_100000211926 [0,2,0,0,0,0|2,0,0]=4 9868 B10R0.41 COC(CCSCCO)OC 62a_100000211926_100000139399 [0,2,0,0,0,0|2,0,0]=4 9869 B10R0.41 COC(CCSCSC)OC 62a_100000139399_100011218213 [0,2,0,0,0,0|2,0,0]=4 9870 B10R0.41 COC(CCSCSC)OC 62a_100011218213_100000139399 [0,2,0,0,0,0|2,0,0]=4 9871 B10R0.41 COC(CNCCCF)OC 2230a_100015189416_100000751394 [0,2,0,0,0,0|2,0,0]=4 9872 B10R0.41 COC(CNCCCF)OC 270004a_100015189416_100000752162 [0,2,0,0,0,0|2,0,0]=4 9873 B10R0.41 COC(CNCCCF)OC 34a_100015189416_100000211822 [0,2,0,0,0,0|2,0,0]=4 9874 B10R0.41 COC(CNCCCO)OC 270004a_100000182051_100000752162 [0,2,0,0,0,0|2,0,0]=4 9875 B10R0.41 COC(CNCCSC)OC 2230a_100020590264_100000751394 [0,2,0,0,0,0|2,0,0]=4 9876 B10R0.41 COC(CNCCSC)OC 270004a_100020590264_100000752162 [0,2,0,0,0,0|2,0,0]=4 9877 B10R0.41 COC(COCCCBr)OC 34a_100011217188_100000211822 [0,2,0,0,0,0|2,0,0]=4 9878 B10R0.41 COC(COCCCCl)OC 34a_100000230001_100000211822 [0,2,0,0,0,0|2,0,0]=4 9879 B10R0.41 COC(COCCCF)OC 34a_100000759539_100000211822 [0,2,0,0,0,0|2,0,0]=4 9880 B10R0.41 COC(COCCCF)OC 34a_100011216393_100011934791 [0,2,0,0,0,0|2,0,0]=4 9881 B10R0.41 COC(COCCCN)OC 34a_100000182051_100000211822 [0,2,0,0,0,0|2,0,0]=4 9882 B10R0.41 COC(COCCCO)OC 34a_100011216393_100000230001 [0,2,0,0,0,0|2,0,0]=4 9883 B10R0.41 COC(COCCSC)OC 34a_100000230434_100000211822 [0,2,0,0,0,0|2,0,0]=4 9884 B10R0.41 COC(COCCSC)OC 34a_100011216393_100000212216 [0,2,0,0,0,0|2,0,0]=4 9885 B10R0.41 COC(COCCSC)OC 7a_100000230434_100000751394 [0,2,0,0,0,0|2,0,0]=4 9886 B10R0.41 COC(CSCCCF)OC 62a_100000751394_100011934791 [0,2,0,0,0,0|2,0,0]=4 9887 B10R0.41 COC(CSCCCF)OC 62a_100011934791_100000751394 [0,2,0,0,0,0|2,0,0]=4 9888 B10R0.41 COC(CSCCCO)OC 62a_100000751394_100011215043 [0,2,0,0,0,0|2,0,0]=4 9889 B10R0.41 COC(CSCCCO)OC 62a_100011215043_100000751394 [0,2,0,0,0,0|2,0,0]=4 9890 B10R0.41 COC(CSCCSC)OC 62a_100000212216_100000751394 [0,2,0,0,0,0|2,0,0]=4 9891 B10R0.41 COC(CSCCSC)OC 62a_100000751394_100000751147 [0,2,0,0,0,0|2,0,0]=4 9892 B10R0.41 COCCCNC(CO)CO 2230a_100000759517_100000740836 [0,2,0,0,0,0|2,0,0]=4 9893 B10R0.41 COCCNCC(OC)OC 2230a_100000209980_100000751394 [0,2,0,0,0,0|2,0,0]=4 9894 B10R0.41 COCCNCC(OC)OC 270004a_100000209980_100000752162 [0,2,0,0,0,0|2,0,0]=4 9895 B10R0.41 COCCOCC(OC)OC 34a_100000210237_100000211822 [0,2,0,0,0,0|2,0,0]=4 9896 B10R0.41 COCCOCC(OC)OC 34a_100011216393_100011201679 [0,2,0,0,0,0|2,0,0]=4 9897 B10R0.41 COCCSCC(OC)OC 62a_100000233755_100000751394 [0,2,0,0,0,0|2,0,0]=4 9898 B10R0.41 COCCSCC(OC)OC 62a_100000751394_100000233755 [0,2,0,0,0,0|2,0,0]=4 9899 B10R0.41 COCSCCC(OC)OC 62a_100000139399_100000766300 [0,2,0,0,0,0|2,0,0]=4 9900 B10R0.41 COCSCCC(OC)OC 62a_100000766300_100000139399 [0,2,0,0,0,0|2,0,0]=4 9901 B10R0.41 OCC(CO)NCCCCF 2230a_100000759517_100000729493 [0,2,0,0,0,0|2,0,0]=4 9902 B10R0.41 OCCCCNC(CO)CO 2230a_100000759517_100000210776 [0,2,0,0,0,0|2,0,0]=4 9903 B10R0.55 C=C(Br)CCOCC(O)CC 34a_100009813270_100011218378 [0,2,0,0,0,0|0,0,2]=4 9904 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [0,2,0,0,0,0|1,0,1]=4 9905 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [0,2,0,0,0,0|0,0,1]=3 9906 B10R0.55 C=C(C)CCNC[C@H](O)CO 2230a_100020644852_100000730704 [0,2,0,0,0,0|1,0,1]=4 9907 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,2,0,0,0,0|1,0,1]=4 9908 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [0,2,0,0,0,0|0,0,1]=3 9909 B10R0.55 C=C(C)CCOCC(O)CO 34a_100000764851_100011219619 [0,2,0,0,0,0|1,0,1]=4 9910 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,2,0,0,0,0|1,0,1]=4 9911 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,2,0,0,0,0|1,0,1]=4 9912 B10R0.55 C=C(C)CCOC[C@@H](O)CF 34a_100000764851_100015614560 [0,2,0,0,0,0|1,0,1]=4 9913 B10R0.55 C=C(C)CCOC[C@@H](O)CO 34a_100000764851_100009815848 [0,2,0,0,0,0|1,0,1]=4 9914 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [0,2,0,0,0,0|1,0,1]=4 9915 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [0,2,0,0,0,0|1,0,1]=4 9916 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [0,2,0,0,0,0|0,0,1]=3 9917 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [0,2,0,0,0,0|0,0,1]=3 9918 B10R0.55 C=C(C)CCSCC(O)CO 62a_100000730704_100011219619 [0,2,0,0,0,0|1,0,1]=4 9919 B10R0.55 C=C(C)CCSCC(O)CO 62a_100011219619_100000730704 [0,2,0,0,0,0|1,0,1]=4 9920 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [0,2,0,0,0,0|1,0,1]=4 9921 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [0,2,0,0,0,0|1,0,1]=4 9922 B10R0.55 C=C(C)CCSC[C@@H](O)CF 62a_100000730704_100015614560 [0,2,0,0,0,0|1,0,1]=4 9923 B10R0.55 C=C(C)CCSC[C@@H](O)CF 62a_100015614560_100000730704 [0,2,0,0,0,0|1,0,1]=4 9924 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100000730704_100009815848 [0,2,0,0,0,0|1,0,1]=4 9925 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100009815848_100000730704 [0,2,0,0,0,0|1,0,1]=4 9926 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [0,2,0,0,0,0|1,0,1]=4 9927 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,2,0,0,0,0|1,0,1]=4 9928 B10R0.55 C=CC(O)CNCCC(C)O 2230a_200000755665_100000730141 [0,2,0,0,0,0|0,0,2]=4 9929 B10R0.55 C=CC(O)COCCC(C)Br 34a_100009893172_100000730141 [0,2,0,0,0,0|0,0,2]=4 9930 B10R0.55 C=CC(O)COCCC(C)C 34a_100000210254_100000730141 [0,2,0,0,0,0|0,0,2]=4 9931 B10R0.55 C=CC(O)COCCC(C)C 7a_100000210254_100000730141 [0,2,0,0,0,0|0,0,2]=4 9932 B10R0.55 C=CC(O)COCC[C@@H](C)N 34a_100000706166_100000730141 [0,2,0,0,0,0|0,0,2]=4 9933 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000210312_100000730141 [0,2,0,0,0,0|0,0,2]=4 9934 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000730141_100000210312 [0,2,0,0,0,0|0,0,2]=4 9935 B10R0.55 C=CC(O)CSCCC(C)O 62a_100000730141_100012276601 [0,2,0,0,0,0|0,0,2]=4 9936 B10R0.55 C=CC(O)CSCCC(C)O 62a_100012276601_100000730141 [0,2,0,0,0,0|0,0,2]=4 9937 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,2,0,0,0,0|1,0,1]=4 9938 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,2,0,0,0,0|1,0,1]=4 9939 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,2,0,0,0,0|1,0,1]=4 9940 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,2,0,0,0,0|1,0,1]=4 9941 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,2,0,0,0,0|1,0,1]=4 9942 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,2,0,0,0,0|1,0,1]=4 9943 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,2,0,0,0,0|1,0,1]=4 9944 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,2,0,0,0,0|1,0,1]=4 9945 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,2,0,0,0,0|1,0,1]=4 9946 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,2,0,0,0,0|1,0,1]=4 9947 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,2,0,0,0,0|1,0,1]=4 9948 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,2,0,0,0,0|1,0,1]=4 9949 B10R0.55 CC(Br)CCOCC(O)CO 34a_100009893172_100011219619 [0,2,0,0,0,0|1,0,0]=3 9950 B10R0.55 CC(Br)CCOC[C@@H](C)CO 34a_100009893172_100000059175 [0,2,0,0,0,0|2,0,0]=4 9951 B10R0.55 CC(Br)CCOC[C@@H](O)CF 34a_100009893172_100015614560 [0,2,0,0,0,0|1,0,0]=3 9952 B10R0.55 CC(Br)CCOC[C@@H](O)CO 34a_100009893172_100009815848 [0,2,0,0,0,0|1,0,0]=3 9953 B10R0.55 CC(C)CCCNC(C)CO 2230a_200000737386_100012180447 [0,2,0,0,0,0|2,0,0]=4 9954 B10R0.55 CC(C)CCCNC(C)CO 34a_200000737386_100012180447 [0,2,0,0,0,0|2,0,0]=4 9955 B10R0.55 CC(C)CCCN[C@H](C)CO 2230a_100000737577_100011214892 [0,2,0,0,0,0|2,0,0]=4 9956 B10R0.55 CC(C)CCCOC(C)CF 34a_100016041109_100011214892 [0,2,0,0,0,0|2,0,0]=4 9957 B10R0.55 CC(C)CCCOC(C)CF 7a_100016041109_100011214892 [0,2,0,0,0,0|2,0,0]=4 9958 B10R0.55 CC(C)CCCOC(C)CN 34a_100000210904_100011214892 [0,2,0,0,0,0|2,0,0]=4 9959 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [0,2,0,0,0,0|2,0,0]=4 9960 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [0,2,0,0,0,0|2,0,0]=4 9961 B10R0.55 CC(C)CCCSC(C)CO 62a_100012180447_100011214892 [0,2,0,0,0,0|2,0,0]=4 9962 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100011214892_100016084084 [0,2,0,0,0,0|2,0,0]=4 9963 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100016084084_100011214892 [0,2,0,0,0,0|2,0,0]=4 9964 B10R0.55 CC(C)CCNCC(C)CO 269862a_100000744482_100000185833 [0,2,0,0,0,0|2,0,0]=4 9965 B10R0.55 CC(C)CCNCC(C)CO 34a_100000744482_100000210312 [0,2,0,0,0,0|2,0,0]=4 9966 B10R0.55 CC(C)CCNC[C@@H](F)CO 269862a_100015665980_100000185833 [0,2,0,0,0,0|2,0,0]=4 9967 B10R0.55 CC(C)CCNC[C@@H](F)CO 34a_100015665980_100000210312 [0,2,0,0,0,0|2,0,0]=4 9968 B10R0.55 CC(C)CCNC[C@H](O)CO 2230a_100020644852_100000210312 [0,2,0,0,0,0|1,0,0]=3 9969 B10R0.55 CC(C)CCNC[C@H](O)CO 269862a_100020644852_100000185833 [0,2,0,0,0,0|1,0,0]=3 9970 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [0,2,0,0,0,0|2,0,0]=4 9971 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [0,2,0,0,0,0|2,0,0]=4 9972 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,2,0,0,0,0|1,0,0]=3 9973 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,2,0,0,0,0|1,0,0]=3 9974 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [0,2,0,0,0,0|2,0,0]=4 9975 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [0,2,0,0,0,0|2,0,0]=4 9976 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [0,2,0,0,0,0|1,0,0]=3 9977 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [0,2,0,0,0,0|1,0,0]=3 9978 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,2,0,0,0,0|1,0,0]=3 9979 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,2,0,0,0,0|1,0,0]=3 9980 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [0,2,0,0,0,0|2,0,0]=4 9981 B10R0.55 CC(C)CCSCC(O)CO 62a_100000210312_100011219619 [0,2,0,0,0,0|1,0,0]=3 9982 B10R0.55 CC(C)CCSCC(O)CO 62a_100011219619_100000210312 [0,2,0,0,0,0|1,0,0]=3 9983 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000059175_100000210312 [0,2,0,0,0,0|2,0,0]=4 9984 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000210312_100000059175 [0,2,0,0,0,0|2,0,0]=4 9985 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100000210312_100015614560 [0,2,0,0,0,0|1,0,0]=3 9986 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100015614560_100000210312 [0,2,0,0,0,0|1,0,0]=3 9987 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100000210312_100009815848 [0,2,0,0,0,0|1,0,0]=3 9988 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100009815848_100000210312 [0,2,0,0,0,0|1,0,0]=3 9989 B10R0.55 CC(C)CNCCC(C)CO 2230a_106354213184_100000210760 [0,2,0,0,0,0|2,0,0]=4 9990 B10R0.55 CC(C)CNCCC(C)CO 270004a_106354213184_100000210432 [0,2,0,0,0,0|2,0,0]=4 9991 B10R0.55 CC(C)CNCCC(C)CO 34a_106354213184_100000210624 [0,2,0,0,0,0|2,0,0]=4 9992 B10R0.55 CC(C)OCCC[C@@H](C)CN 34a_100160569302_100000210206 [0,2,0,0,0,0|2,0,0]=4 9993 B10R0.55 CC(C)OCNC[C@H](O)CO 2230a_100020644852_100000709892 [0,2,0,0,0,0|2,0,0]=4 9994 B10R0.55 CC(C)OCSCC(O)CO 62a_100000709892_100011219619 [0,2,0,0,0,0|2,0,0]=4 9995 B10R0.55 CC(C)OCSCC(O)CO 62a_100011219619_100000709892 [0,2,0,0,0,0|2,0,0]=4 9996 B10R0.55 CC(C)OCSC[C@@H](O)CF 62a_100000709892_100015614560 [0,2,0,0,0,0|2,0,0]=4 9997 B10R0.55 CC(C)OCSC[C@@H](O)CF 62a_100015614560_100000709892 [0,2,0,0,0,0|2,0,0]=4 9998 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100000709892_100009815848 [0,2,0,0,0,0|2,0,0]=4 9999 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100009815848_100000709892 [0,2,0,0,0,0|2,0,0]=4 10000 B10R0.55 CC(CO)CCNC[C@@H](C)O 2230a_106354213184_100009817552 [0,2,0,0,0,0|2,0,0]=4 10001 B10R0.55 CC(CO)CCNC[C@@H](C)O 34a_106354213184_100009817552 [0,2,0,0,0,0|2,0,0]=4 10002 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [0,2,0,0,0,0|2,0,0]=4 10003 B10R0.55 CC(O)CCCOC(C)CF 34a_100016041109_200000718107 [0,2,0,0,0,0|2,0,0]=4 10004 B10R0.55 CC(O)CCCOC(C)CF 7a_100016041109_200000718107 [0,2,0,0,0,0|2,0,0]=4 10005 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [0,2,0,0,0,0|2,0,0]=4 10006 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [0,2,0,0,0,0|2,0,0]=4 10007 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [0,2,0,0,0,0|2,0,0]=4 10008 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [0,2,0,0,0,0|2,0,0]=4 10009 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [0,2,0,0,0,0|2,0,0]=4 10010 B10R0.55 CC(O)CCNCC(O)CO 2230a_200000755665_100011219619 [0,2,0,0,0,0|1,0,0]=3 10011 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [0,2,0,0,0,0|2,0,0]=4 10012 B10R0.55 CC(O)CCNC[C@@H](F)CO 34a_100015665980_100012276601 [0,2,0,0,0,0|2,0,0]=4 10013 B10R0.55 CC(O)CCNC[C@@H](O)CF 2230a_200000755665_100015614560 [0,2,0,0,0,0|1,0,0]=3 10014 B10R0.55 CC(O)CCNC[C@@H](O)CO 2230a_200000755665_100009815848 [0,2,0,0,0,0|1,0,0]=3 10015 B10R0.55 CC(O)CCNC[C@H](O)CO 2230a_100020644852_100012276601 [0,2,0,0,0,0|1,0,0]=3 10016 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [0,2,0,0,0,0|2,0,0]=4 10017 B10R0.55 CC(O)CCOCC(Cl)CCl 34a_100000033668_100012276601 [0,2,0,0,0,0|2,0,0]=4 10018 B10R0.55 CC(O)CCOC[C@H](F)CN 34a_100015665980_100012276601 [0,2,0,0,0,0|2,0,0]=4 10019 B10R0.55 CC(O)CCSCC(O)CO 62a_100011219619_100012276601 [0,2,0,0,0,0|1,0,0]=3 10020 B10R0.55 CC(O)CCSCC(O)CO 62a_100012276601_100011219619 [0,2,0,0,0,0|1,0,0]=3 10021 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [0,2,0,0,0,0|2,0,0]=4 10022 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [0,2,0,0,0,0|2,0,0]=4 10023 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100012276601_100015614560 [0,2,0,0,0,0|1,0,0]=3 10024 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100015614560_100012276601 [0,2,0,0,0,0|1,0,0]=3 10025 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100009815848_100012276601 [0,2,0,0,0,0|1,0,0]=3 10026 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100012276601_100009815848 [0,2,0,0,0,0|1,0,0]=3 10027 B10R0.55 CC(O)CNCCC(C)CO 2230a_106354213184_100011218427 [0,2,0,0,0,0|2,0,0]=4 10028 B10R0.55 CC(O)CNCCC(C)CO 34a_106354213184_100011218427 [0,2,0,0,0,0|2,0,0]=4 10029 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|0,0,2]=4 10030 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|0,0,2]=4 10031 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|0,0,2]=4 10032 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,2,0,0,0,0|0,0,2]=4 10033 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,2,0,0,0,0|0,0,2]=4 10034 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,2,0,0,0,0|0,0,2]=4 10035 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,2,0,0,0,0|0,0,2]=4 10036 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,2,0,0,0,0|0,0,2]=4 10037 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,2,0,0,0,0|0,0,2]=4 10038 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,2,0,0,0,0|0,0,2]=4 10039 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|0,0,2]=4 10040 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|0,0,2]=4 10041 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|0,0,2]=4 10042 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|0,0,2]=4 10043 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,2,0,0,0,0|1,0,0]=3 10044 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [0,2,0,0,0,0|1,0,0]=3 10045 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [0,2,0,0,0,0|1,0,0]=3 10046 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,2,0,0,0,0|1,0,0]=3 10047 B10R0.55 CCC(C)CCNCC(F)F 2230a_100020591266_100011934356 [0,2,0,0,0,0|2,0,0]=4 10048 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,2,0,0,0,0|1,0,0]=3 10049 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,2,0,0,0,0|1,0,0]=3 10050 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,2,0,0,0,0|1,0,0]=3 10051 B10R0.55 CCC(C)CCOCC(F)F 7a_100011215188_100011934356 [0,2,0,0,0,0|2,0,0]=4 10052 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,2,0,0,0,0|1,0,0]=3 10053 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [0,2,0,0,0,0|1,0,0]=3 10054 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [0,2,0,0,0,0|1,0,0]=3 10055 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [0,2,0,0,0,0|1,0,0]=3 10056 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,2,0,0,0,0|1,0,0]=3 10057 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,2,0,0,0,0|1,0,0]=3 10058 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,2,0,0,0,0|1,0,0]=3 10059 B10R0.55 CCC(C)CNCCN(C)C 270004a_100000210585_100000243153 [0,2,0,0,0,0|2,0,0]=4 10060 B10R0.55 CCC(C)CNCOC(C)C 2230a_100020588543_100000709892 [0,2,0,0,0,0|2,0,0]=4 10061 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,2,0,0,0,0|1,0,1]=4 10062 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,2,0,0,0,0|1,0,1]=4 10063 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [0,2,0,0,0,0|1,0,0]=3 10064 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,2,0,0,0,0|1,0,0]=3 10065 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,2,0,0,0,0|1,0,0]=3 10066 B10R0.55 CCC(C)COCCC(F)F 34a_100103093639_100000748023 [0,2,0,0,0,0|2,0,0]=4 10067 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [0,2,0,0,0,0|1,0,0]=3 10068 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,2,0,0,0,0|1,0,1]=4 10069 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,2,0,0,0,0|1,0,1]=4 10070 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [0,2,0,0,0,0|1,0,0]=3 10071 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [0,2,0,0,0,0|1,0,0]=3 10072 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,2,0,0,0,0|1,0,0]=3 10073 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,2,0,0,0,0|1,0,0]=3 10074 B10R0.55 CCC(C)CSCCN(C)C 62a_100000748023_100000755713 [0,2,0,0,0,0|2,0,0]=4 10075 B10R0.55 CCC(C)CSCOC(C)C 62a_100000709892_100000748023 [0,2,0,0,0,0|2,0,0]=4 10076 B10R0.55 CCC(C)CSCOC(C)C 62a_100000748023_100000709892 [0,2,0,0,0,0|2,0,0]=4 10077 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [0,2,0,0,0,0|1,0,0]=3 10078 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [0,2,0,0,0,0|1,0,0]=3 10079 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [0,2,0,0,0,0|1,0,0]=3 10080 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,2,0,0,0,0|1,0,0]=3 10081 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [0,2,0,0,0,0|2,0,0]=4 10082 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000209981_100000211751 [0,2,0,0,0,0|2,0,0]=4 10083 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000701111_100000758301 [0,2,0,0,0,0|2,0,0]=4 10084 B10R0.55 CCC(C)NCCOC(C)C 34a_100000701111_100011215416 [0,2,0,0,0,0|2,0,0]=4 10085 B10R0.55 CCC(C)NCCSC(C)C 2230a_100000209981_100000730970 [0,2,0,0,0,0|2,0,0]=4 10086 B10R0.55 CCC(C)NCCSC(C)C 2230a_100000731138_100000758301 [0,2,0,0,0,0|2,0,0]=4 10087 B10R0.55 CCC(C)NCCSC(C)C 34a_100000731138_100011215416 [0,2,0,0,0,0|2,0,0]=4 10088 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,2,0,0,0,0|1,0,1]=4 10089 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,2,0,0,0,0|1,0,1]=4 10090 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,2,0,0,0,0|1,0,1]=4 10091 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,2,0,0,0,0|1,0,0]=3 10092 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,2,0,0,0,0|1,0,0]=3 10093 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,2,0,0,0,0|1,0,0]=3 10094 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,2,0,0,0,0|1,0,0]=3 10095 B10R0.55 CCC(C)OCCCN(C)C 7a_100000210228_100000757444 [0,2,0,0,0,0|2,0,0]=4 10096 B10R0.55 CCC(C)OCCNC(C)C 34a_100000224655_100011215416 [0,2,0,0,0,0|2,0,0]=4 10097 B10R0.55 CCC(C)OCCOC(C)C 34a_100000211219_100011215416 [0,2,0,0,0,0|2,0,0]=4 10098 B10R0.55 CCC(C)OCCOC(C)C 7a_100000210228_100000211751 [0,2,0,0,0,0|2,0,0]=4 10099 B10R0.55 CCC(C)OCCOC(C)C 7a_100000211219_100000758301 [0,2,0,0,0,0|2,0,0]=4 10100 B10R0.55 CCC(C)OCCSC(C)C 34a_200011212901_100011215416 [0,2,0,0,0,0|2,0,0]=4 10101 B10R0.55 CCC(C)OCCSC(C)C 7a_100000210228_100000730970 [0,2,0,0,0,0|2,0,0]=4 10102 B10R0.55 CCC(C)OCCSC(C)C 7a_200011212901_100000758301 [0,2,0,0,0,0|2,0,0]=4 10103 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,2,0,0,0,0|1,0,1]=4 10104 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,2,0,0,0,0|1,0,1]=4 10105 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [0,2,0,0,0,0|1,0,0]=3 10106 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [0,2,0,0,0,0|1,0,0]=3 10107 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,2,0,0,0,0|1,0,0]=3 10108 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,2,0,0,0,0|1,0,0]=3 10109 B10R0.55 CCC(C)SCCCN(C)C 62a_100000758301_100000757444 [0,2,0,0,0,0|2,0,0]=4 10110 B10R0.55 CCC(C)SCCOC(C)C 62a_100000211751_100000758301 [0,2,0,0,0,0|2,0,0]=4 10111 B10R0.55 CCC(C)SCCOC(C)C 62a_100000758301_100000211751 [0,2,0,0,0,0|2,0,0]=4 10112 B10R0.55 CCC(C)SCCSC(C)C 62a_100000730970_100000758301 [0,2,0,0,0,0|2,0,0]=4 10113 B10R0.55 CCC(C)SCCSC(C)C 62a_100000758301_100000730970 [0,2,0,0,0,0|2,0,0]=4 10114 B10R0.55 CCC(O)CNCC=C(C)C 2230a_100011218483_100000761012 [0,2,0,0,0,0|0,0,2]=4 10115 B10R0.55 CCC(O)CNCC=C(C)C 34a_100000718196_100011218378 [0,2,0,0,0,0|0,0,2]=4 10116 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,2,0,0,0,0|1,0,1]=4 10117 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,2,0,0,0,0|0,0,0]=2 10118 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,2,0,0,0,0|0,0,0]=2 10119 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,2,0,0,0,0|0,0,0]=2 10120 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,2,0,0,0,0|0,0,0]=2 10121 B10R0.55 CCC(O)CNCOC(C)C 2230a_100011218483_100000709892 [0,2,0,0,0,0|1,0,0]=3 10122 B10R0.55 CCC(O)CNN=CC(C)C 4a_100015206393_100000210432 [0,2,0,0,0,0|1,0,1]=4 10123 B10R0.55 CCC(O)COCC=C(C)C 34a_100000753907_100011218378 [0,2,0,0,0,0|0,0,2]=4 10124 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,2,0,0,0,0|0,0,1]=3 10125 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,2,0,0,0,0|0,0,1]=3 10126 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,2,0,0,0,0|1,0,1]=4 10127 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,2,0,0,0,0|1,0,1]=4 10128 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,2,0,0,0,0|0,0,0]=2 10129 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,2,0,0,0,0|0,0,0]=2 10130 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,2,0,0,0,0|0,0,0]=2 10131 B10R0.55 CCC(O)COCCC(F)F 34a_100103093639_100011218378 [0,2,0,0,0,0|1,0,0]=3 10132 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,2,0,0,0,0|0,0,0]=2 10133 B10R0.55 CCC(O)CSCC=C(C)C 62a_100000761012_100011218378 [0,2,0,0,0,0|0,0,2]=4 10134 B10R0.55 CCC(O)CSCC=C(C)C 62a_100011218378_100000761012 [0,2,0,0,0,0|0,0,2]=4 10135 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,2,0,0,0,0|0,0,1]=3 10136 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,2,0,0,0,0|0,0,1]=3 10137 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,2,0,0,0,0|1,0,1]=4 10138 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,2,0,0,0,0|1,0,1]=4 10139 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,2,0,0,0,0|0,0,0]=2 10140 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,2,0,0,0,0|0,0,0]=2 10141 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,2,0,0,0,0|0,0,0]=2 10142 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,2,0,0,0,0|0,0,0]=2 10143 B10R0.55 CCC(O)CSCCN(C)C 62a_100011218378_100000755713 [0,2,0,0,0,0|1,0,0]=3 10144 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,2,0,0,0,0|1,0,1]=4 10145 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,2,0,0,0,0|1,0,1]=4 10146 B10R0.55 CCC(O)CSCOC(C)C 62a_100000709892_100011218378 [0,2,0,0,0,0|1,0,0]=3 10147 B10R0.55 CCC(O)CSCOC(C)C 62a_100011218378_100000709892 [0,2,0,0,0,0|1,0,0]=3 10148 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,2,0,0,0,0|2,0,0]=4 10149 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [0,2,0,0,0,0|2,0,0]=4 10150 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [0,2,0,0,0,0|2,0,0]=4 10151 B10R0.55 CCN(C)CCCCN(C)C 269982a_100000225621_100000690147 [0,2,0,0,0,0|2,0,0]=4 10152 B10R0.55 CCN(C)CCCNC(C)C 2230a_100138425928_100015186262 [0,2,0,0,0,0|2,0,0]=4 10153 B10R0.55 CCN(C)CCCSC(C)C 62a_100000210206_100015186262 [0,2,0,0,0,0|2,0,0]=4 10154 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,2,0,0,0,0|1,0,0]=3 10155 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,2,0,0,0,0|1,0,1]=4 10156 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,2,0,0,0,0|1,0,1]=4 10157 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,2,0,0,0,0|1,0,1]=4 10158 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [0,2,0,0,0,0|1,0,0]=3 10159 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,2,0,0,0,0|1,0,0]=3 10160 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,2,0,0,0,0|1,0,0]=3 10161 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,2,0,0,0,0|1,0,0]=3 10162 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,2,0,0,0,0|1,0,0]=3 10163 B10R0.55 CC[C@H](C)COCCC(F)F 34a_100103093639_100009816398 [0,2,0,0,0,0|2,0,0]=4 10164 B10R0.55 CC[C@H](C)COCCN(C)C 7a_100009816381_100000755713 [0,2,0,0,0,0|2,0,0]=4 10165 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [0,2,0,0,0,0|1,0,0]=3 10166 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,2,0,0,0,0|1,0,1]=4 10167 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,2,0,0,0,0|1,0,1]=4 10168 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [0,2,0,0,0,0|1,0,0]=3 10169 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [0,2,0,0,0,0|1,0,0]=3 10170 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,2,0,0,0,0|1,0,0]=3 10171 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,2,0,0,0,0|1,0,0]=3 10172 B10R0.55 CC[C@H](C)CSCCN(C)C 62a_100009816398_100000755713 [0,2,0,0,0,0|2,0,0]=4 10173 B10R0.55 CC[C@H](C)CSCOC(C)C 62a_100000709892_100009816398 [0,2,0,0,0,0|2,0,0]=4 10174 B10R0.55 CC[C@H](C)CSCOC(C)C 62a_100009816398_100000709892 [0,2,0,0,0,0|2,0,0]=4 10175 B10R0.55 CN(C)CCSCC(O)CO 62a_100011219619_100000755713 [0,2,0,0,0,0|2,0,0]=4 10176 B10R0.55 CN(C)CCSC[C@@H](O)CF 62a_100015614560_100000755713 [0,2,0,0,0,0|2,0,0]=4 10177 B10R0.55 CN(C)CCSC[C@@H](O)CO 62a_100009815848_100000755713 [0,2,0,0,0,0|2,0,0]=4 10178 B10R0.55 CNC(C)CCOCC(C)C 270004a_106832991635_200011216429 [0,2,0,0,0,0|2,0,0]=4 10179 B10R0.55 COC(C)CCOCC(C)C 7a_100000764861_100000210760 [0,2,0,0,0,0|2,0,0]=4 10180 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [0,2,0,0,0,0|2,0,0]=4 10181 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [0,2,0,0,0,0|2,0,0]=4 10182 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [0,2,0,0,0,0|2,0,0]=4 10183 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [0,2,0,0,0,0|2,0,0]=4 10184 B10R0.55 COC(C)SCCCC(C)C 62a_100009879195_100011214892 [0,2,0,0,0,0|2,0,0]=4 10185 B10R0.55 COC(C)SCCCC(C)C 62a_100011214892_100009879195 [0,2,0,0,0,0|2,0,0]=4 10186 B10R0.55 COC(C)SCCCC(C)O 62a_100009879195_200000718107 [0,2,0,0,0,0|2,0,0]=4 10187 B10R0.55 COC(C)SCCCC(C)O 62a_200000718107_100009879195 [0,2,0,0,0,0|2,0,0]=4 10188 B10R0.55 CO[C@H](C)CNCCC(C)C 2230a_100020591295_100000210312 [0,2,0,0,0,0|2,0,0]=4 10189 B10R0.55 CO[C@H](C)CNCCC(C)C 269862a_100020591295_100000185833 [0,2,0,0,0,0|2,0,0]=4 10190 B10R0.55 CO[C@H](C)CNCCC(C)O 2230a_100020591295_100012276601 [0,2,0,0,0,0|2,0,0]=4 10191 B10R0.55 C[C@@H](CO)COCC[C@@H](C)N 34a_100000706166_100000059175 [0,2,0,0,0,0|2,0,0]=4 10192 B10R0.55 C[C@@H](N)CCOCC(O)CO 34a_100000706166_100011219619 [0,2,0,0,0,0|1,0,0]=3 10193 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CF 34a_100000706166_100015614560 [0,2,0,0,0,0|1,0,0]=3 10194 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CO 34a_100000706166_100009815848 [0,2,0,0,0,0|1,0,0]=3 10195 B10R0.55 OCC(O)COCCC(F)F 34a_100103093639_100011219619 [0,2,0,0,0,0|2,0,0]=4 10196 B10R0.55 OC[C@H](O)COCCC(F)F 34a_100103093639_100009815848 [0,2,0,0,0,0|2,0,0]=4 10197 B10R0.55 O[C@@H](CF)COCCC(F)F 34a_100103093639_100015614560 [0,2,0,0,0,0|2,0,0]=4 10198 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,2,0,0,0,0|0,0,2]=4 10199 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,2,0,0,0,0|0,0,2]=4 10200 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,2,0,0,0,0|0,0,2]=4 10201 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,2,0,0,0,0|0,0,2]=4 10202 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,2,0,0,0,0|0,0,2]=4 10203 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,2,0,0,0,0|0,0,2]=4 10204 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,2,0,0,0,0|0,0,2]=4 10205 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,2,0,0,0,0|0,0,2]=4 10206 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,2,0,0,0,0|0,0,2]=4 10207 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,2,0,0,0,0|0,0,2]=4 10208 B10R0.74 C#CCCCCCN(C)CC 2230a_100000225621_100012094781 [0,2,0,0,0,0|2,0,0]=4 10209 B10R0.74 C#CCCCCCN(C)CC 269982a_100000225621_100012094781 [0,2,0,0,0,0|2,0,0]=4 10210 B10R0.74 C#CCCCCNC(C)CC 2230a_100000209981_100010269958 [0,2,0,0,0,0|1,0,1]=4 10211 B10R0.74 C#CCCCCNC(C)CC 2230a_100000706060_100000758301 [0,2,0,0,0,0|1,0,1]=4 10212 B10R0.74 C#CCCCCNC(C)CC 34a_100000706060_100011215416 [0,2,0,0,0,0|1,0,1]=4 10213 B10R0.74 C#CCCCCOC(C)CC 34a_100000766709_100011215416 [0,2,0,0,0,0|1,0,1]=4 10214 B10R0.74 C#CCCCCOC(C)CC 7a_100000210228_100010269958 [0,2,0,0,0,0|1,0,1]=4 10215 B10R0.74 C#CCCCCOC(C)CC 7a_100000766709_100000758301 [0,2,0,0,0,0|1,0,1]=4 10216 B10R0.74 C#CCCCCSC(C)CC 62a_100000758301_100010269958 [0,2,0,0,0,0|1,0,1]=4 10217 B10R0.74 C#CCCCCSC(C)CC 62a_100010269958_100000758301 [0,2,0,0,0,0|1,0,1]=4 10218 B10R0.74 C#CCCCNCC(C)CC 2230a_100020588543_100000731252 [0,2,0,0,0,0|1,0,1]=4 10219 B10R0.74 C#CCCCNCC(C)CC 270004a_100000718082_100000243153 [0,2,0,0,0,0|1,0,1]=4 10220 B10R0.74 C#CCCCNCC(C)CC 34a_100000718082_100000748023 [0,2,0,0,0,0|1,0,1]=4 10221 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,2,0,0,0,0|0,0,1]=3 10222 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,2,0,0,0,0|0,0,1]=3 10223 B10R0.74 C#CCCCNCC(O)CO 34a_100000718082_100011219619 [0,2,0,0,0,0|1,0,1]=4 10224 B10R0.74 C#CCCCNC[C@@H](C)CC 34a_100000718082_100009816398 [0,2,0,0,0,0|1,0,1]=4 10225 B10R0.74 C#CCCCNC[C@@H](O)CF 34a_100000718082_100015614560 [0,2,0,0,0,0|1,0,1]=4 10226 B10R0.74 C#CCCCNC[C@@H](O)CO 34a_100000718082_100009815848 [0,2,0,0,0,0|1,0,1]=4 10227 B10R0.74 C#CCCCNC[C@H](O)CO 2230a_100020644852_100000731252 [0,2,0,0,0,0|1,0,1]=4 10228 B10R0.74 C#CCCCOCC(C)CC 34a_100000215630_100000748023 [0,2,0,0,0,0|1,0,1]=4 10229 B10R0.74 C#CCCCOCC(C)CC 7a_100000215630_100000748023 [0,2,0,0,0,0|1,0,1]=4 10230 B10R0.74 C#CCCCOCC(O)CC 34a_100000215630_100011218378 [0,2,0,0,0,0|0,0,1]=3 10231 B10R0.74 C#CCCCOCC(O)CC 7a_100000215630_100011218378 [0,2,0,0,0,0|0,0,1]=3 10232 B10R0.74 C#CCCCOCC(O)CO 34a_100000215630_100011219619 [0,2,0,0,0,0|1,0,1]=4 10233 B10R0.74 C#CCCCOCC(O)CO 7a_100000215630_100011219619 [0,2,0,0,0,0|1,0,1]=4 10234 B10R0.74 C#CCCCOC[C@@H](C)CC 34a_100000215630_100009816398 [0,2,0,0,0,0|1,0,1]=4 10235 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100000215630_100009816398 [0,2,0,0,0,0|1,0,1]=4 10236 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100009816381_100011215417 [0,2,0,0,0,0|1,0,1]=4 10237 B10R0.74 C#CCCCOC[C@@H](O)CF 34a_100000215630_100015614560 [0,2,0,0,0,0|1,0,1]=4 10238 B10R0.74 C#CCCCOC[C@@H](O)CF 7a_100000215630_100015614560 [0,2,0,0,0,0|1,0,1]=4 10239 B10R0.74 C#CCCCOC[C@@H](O)CO 34a_100000215630_100009815848 [0,2,0,0,0,0|1,0,1]=4 10240 B10R0.74 C#CCCCOC[C@@H](O)CO 7a_100000215630_100009815848 [0,2,0,0,0,0|1,0,1]=4 10241 B10R0.74 C#CCCCSCC(C)CC 62a_100000748023_100011215417 [0,2,0,0,0,0|1,0,1]=4 10242 B10R0.74 C#CCCCSCC(C)CC 62a_100011215417_100000748023 [0,2,0,0,0,0|1,0,1]=4 10243 B10R0.74 C#CCCCSCC(O)CC 62a_100011215417_100011218378 [0,2,0,0,0,0|0,0,1]=3 10244 B10R0.74 C#CCCCSCC(O)CC 62a_100011218378_100011215417 [0,2,0,0,0,0|0,0,1]=3 10245 B10R0.74 C#CCCCSCC(O)CO 62a_100011215417_100011219619 [0,2,0,0,0,0|1,0,1]=4 10246 B10R0.74 C#CCCCSCC(O)CO 62a_100011219619_100011215417 [0,2,0,0,0,0|1,0,1]=4 10247 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100009816398_100011215417 [0,2,0,0,0,0|1,0,1]=4 10248 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100011215417_100009816398 [0,2,0,0,0,0|1,0,1]=4 10249 B10R0.74 C#CCCCSC[C@@H](O)CF 62a_100011215417_100015614560 [0,2,0,0,0,0|1,0,1]=4 10250 B10R0.74 C#CCCCSC[C@@H](O)CF 62a_100015614560_100011215417 [0,2,0,0,0,0|1,0,1]=4 10251 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100009815848_100011215417 [0,2,0,0,0,0|1,0,1]=4 10252 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100011215417_100009815848 [0,2,0,0,0,0|1,0,1]=4 10253 B10R0.74 C#CCCNCCC(C)CC 2230a_100020591266_100000688953 [0,2,0,0,0,0|1,0,1]=4 10254 B10R0.74 C#CCCOCCC(C)CC 7a_100011215188_100000688953 [0,2,0,0,0,0|1,0,1]=4 10255 B10R0.74 C#CCOCCCC(C)CC 7a_100011216074_100000038162 [0,2,0,0,0,0|1,0,1]=4 10256 B10R0.74 C/C=C/CCOCC(C)CC 34a_100016278192_100000748023 [0,2,0,0,0,0|1,0,1]=4 10257 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,2,0,0,0,0|0,0,1]=3 10258 B10R0.74 C/C=C/CCOCC(O)CO 34a_100016278192_100011219619 [0,2,0,0,0,0|1,0,1]=4 10259 B10R0.74 C/C=C/CCOC[C@@H](C)CC 34a_100016278192_100009816398 [0,2,0,0,0,0|1,0,1]=4 10260 B10R0.74 C/C=C/CCOC[C@@H](O)CF 34a_100016278192_100015614560 [0,2,0,0,0,0|1,0,1]=4 10261 B10R0.74 C/C=C/CCOC[C@@H](O)CO 34a_100016278192_100009815848 [0,2,0,0,0,0|1,0,1]=4 10262 B10R0.74 C/C=C/COCCC(C)CC 7a_100011215188_100102629194 [0,2,0,0,0,0|1,0,1]=4 10263 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,2,0,0,0,0|0,0,2]=4 10264 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,2,0,0,0,0|0,0,2]=4 10265 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,2,0,0,0,0|0,0,2]=4 10266 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,2,0,0,0,0|0,0,2]=4 10267 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,2,0,0,0,0|0,0,2]=4 10268 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,2,0,0,0,0|0,0,2]=4 10269 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,2,0,0,0,0|0,0,2]=4 10270 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,2,0,0,0,0|0,0,2]=4 10271 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,2,0,0,0,0|0,0,2]=4 10272 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,2,0,0,0,0|0,0,2]=4 10273 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,2,0,0,0,0|0,0,2]=4 10274 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,2,0,0,0,0|0,0,2]=4 10275 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,2,0,0,0,0|0,0,2]=4 10276 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,2,0,0,0,0|0,0,2]=4 10277 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,2,0,0,0,0|0,0,2]=4 10278 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,2,0,0,0,0|0,0,2]=4 10279 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,2,0,0,0,0|0,0,2]=4 10280 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,2,0,0,0,0|0,0,2]=4 10281 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,2,0,0,0,0|0,0,2]=4 10282 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,2,0,0,0,0|0,0,2]=4 10283 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,2,0,0,0,0|0,0,2]=4 10284 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,2,0,0,0,0|0,0,2]=4 10285 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,2,0,0,0,0|0,0,2]=4 10286 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,2,0,0,0,0|0,0,2]=4 10287 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,2,0,0,0,0|0,0,2]=4 10288 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,2,0,0,0,0|0,0,2]=4 10289 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,2,0,0,0,0|0,0,2]=4 10290 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,2,0,0,0,0|0,0,2]=4 10291 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,2,0,0,0,0|0,0,2]=4 10292 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,2,0,0,0,0|0,0,2]=4 10293 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,2,0,0,0,0|0,0,2]=4 10294 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,2,0,0,0,0|0,0,2]=4 10295 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,2,0,0,0,0|0,0,2]=4 10296 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,2,0,0,0,0|0,0,2]=4 10297 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,2,0,0,0,0|0,0,2]=4 10298 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,2,0,0,0,0|0,0,2]=4 10299 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,2,0,0,0,0|0,0,2]=4 10300 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|0,0,2]=4 10301 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|0,0,2]=4 10302 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,2,0,0,0,0|2,0,0]=4 10303 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,2,0,0,0,0|2,0,0]=4 10304 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [0,2,0,0,0,0|1,0,1]=4 10305 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [0,2,0,0,0,0|1,0,1]=4 10306 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [0,2,0,0,0,0|1,0,1]=4 10307 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,2,0,0,0,0|1,0,1]=4 10308 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,2,0,0,0,0|1,0,1]=4 10309 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,2,0,0,0,0|1,0,1]=4 10310 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [0,2,0,0,0,0|1,0,1]=4 10311 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [0,2,0,0,0,0|1,0,1]=4 10312 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [0,2,0,0,0,0|1,0,1]=4 10313 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [0,2,0,0,0,0|1,0,1]=4 10314 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [0,2,0,0,0,0|1,0,1]=4 10315 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [0,2,0,0,0,0|1,0,1]=4 10316 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,2,0,0,0,0|0,0,1]=3 10317 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,2,0,0,0,0|0,0,1]=3 10318 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,2,0,0,0,0|0,0,1]=3 10319 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,2,0,0,0,0|1,0,1]=4 10320 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,2,0,0,0,0|1,0,1]=4 10321 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [0,2,0,0,0,0|1,0,1]=4 10322 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [0,2,0,0,0,0|1,0,1]=4 10323 B10R0.74 C=CCCCNC[C@@H](O)CF 2230a_100000700776_100015614560 [0,2,0,0,0,0|1,0,1]=4 10324 B10R0.74 C=CCCCNC[C@@H](O)CF 34a_100000700776_100015614560 [0,2,0,0,0,0|1,0,1]=4 10325 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,2,0,0,0,0|1,0,1]=4 10326 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,2,0,0,0,0|1,0,1]=4 10327 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,2,0,0,0,0|1,0,1]=4 10328 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,2,0,0,0,0|1,0,1]=4 10329 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,2,0,0,0,0|1,0,1]=4 10330 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,2,0,0,0,0|0,0,1]=3 10331 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,2,0,0,0,0|0,0,1]=3 10332 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,2,0,0,0,0|1,0,1]=4 10333 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,2,0,0,0,0|1,0,1]=4 10334 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,2,0,0,0,0|1,0,1]=4 10335 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,2,0,0,0,0|1,0,1]=4 10336 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,2,0,0,0,0|1,0,1]=4 10337 B10R0.74 C=CCCCOC[C@@H](O)CF 34a_100000758997_100015614560 [0,2,0,0,0,0|1,0,1]=4 10338 B10R0.74 C=CCCCOC[C@@H](O)CF 7a_100000758997_100015614560 [0,2,0,0,0,0|1,0,1]=4 10339 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,2,0,0,0,0|1,0,1]=4 10340 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,2,0,0,0,0|1,0,1]=4 10341 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [0,2,0,0,0,0|1,0,1]=4 10342 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [0,2,0,0,0,0|1,0,1]=4 10343 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,2,0,0,0,0|0,0,1]=3 10344 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,2,0,0,0,0|0,0,1]=3 10345 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,2,0,0,0,0|1,0,1]=4 10346 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,2,0,0,0,0|1,0,1]=4 10347 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [0,2,0,0,0,0|1,0,1]=4 10348 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [0,2,0,0,0,0|1,0,1]=4 10349 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100011713584_100015614560 [0,2,0,0,0,0|1,0,1]=4 10350 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100015614560_100000757094 [0,2,0,0,0,0|1,0,1]=4 10351 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,2,0,0,0,0|1,0,1]=4 10352 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,2,0,0,0,0|1,0,1]=4 10353 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [0,2,0,0,0,0|1,0,1]=4 10354 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [0,2,0,0,0,0|1,0,1]=4 10355 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,2,0,0,0,0|1,0,1]=4 10356 B10R0.74 C=COCCNCC(O)CC 2230a_100011218483_100000039644 [0,2,0,0,0,0|0,0,2]=4 10357 B10R0.74 C=COCCOCC(O)CC 34a_100000033082_100011218378 [0,2,0,0,0,0|0,0,2]=4 10358 B10R0.74 C=COCCSCC(O)CC 62a_100000039644_100011218378 [0,2,0,0,0,0|0,0,2]=4 10359 B10R0.74 C=COCCSCC(O)CC 62a_100011218378_100000039644 [0,2,0,0,0,0|0,0,2]=4 10360 B10R0.74 CC#CCCOCC(C)CC 34a_100000750427_100000748023 [0,2,0,0,0,0|1,0,1]=4 10361 B10R0.74 CC#CCCOCC(O)CC 34a_100000750427_100011218378 [0,2,0,0,0,0|0,0,1]=3 10362 B10R0.74 CC#CCCOCC(O)CO 34a_100000750427_100011219619 [0,2,0,0,0,0|1,0,1]=4 10363 B10R0.74 CC#CCCOC[C@@H](C)CC 34a_100000750427_100009816398 [0,2,0,0,0,0|1,0,1]=4 10364 B10R0.74 CC#CCCOC[C@@H](O)CF 34a_100000750427_100015614560 [0,2,0,0,0,0|1,0,1]=4 10365 B10R0.74 CC#CCCOC[C@@H](O)CO 34a_100000750427_100009815848 [0,2,0,0,0,0|1,0,1]=4 10366 B10R0.74 CC#CCNCCC(C)CC 2230a_100020591266_100000748600 [0,2,0,0,0,0|1,0,1]=4 10367 B10R0.74 CC#CCOCCC(C)CC 7a_100011215188_100000748600 [0,2,0,0,0,0|1,0,1]=4 10368 B10R0.74 CC(CF)OCCCCCF 34a_100016041109_100000729378 [0,2,0,0,0,0|2,0,0]=4 10369 B10R0.74 CC(CF)OCCCCCF 7a_100016041109_100000729378 [0,2,0,0,0,0|2,0,0]=4 10370 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,2,0,0,0,0|2,0,0]=4 10371 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,2,0,0,0,0|2,0,0]=4 10372 B10R0.74 CC(CN)COCCCCF 34a_100000744482_100000729493 [0,2,0,0,0,0|2,0,0]=4 10373 B10R0.74 CC(CN)COCCCCO 34a_100000744482_100011216708 [0,2,0,0,0,0|2,0,0]=4 10374 B10R0.74 CC(CN)OCCCCCF 34a_100000210904_100000729378 [0,2,0,0,0,0|2,0,0]=4 10375 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,2,0,0,0,0|2,0,0]=4 10376 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [0,2,0,0,0,0|2,0,0]=4 10377 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [0,2,0,0,0,0|2,0,0]=4 10378 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,2,0,0,0,0|2,0,0]=4 10379 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,2,0,0,0,0|2,0,0]=4 10380 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [0,2,0,0,0,0|2,0,0]=4 10381 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,2,0,0,0,0|2,0,0]=4 10382 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,2,0,0,0,0|2,0,0]=4 10383 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,2,0,0,0,0|2,0,0]=4 10384 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [0,2,0,0,0,0|2,0,0]=4 10385 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [0,2,0,0,0,0|2,0,0]=4 10386 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [0,2,0,0,0,0|2,0,0]=4 10387 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [0,2,0,0,0,0|2,0,0]=4 10388 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [0,2,0,0,0,0|2,0,0]=4 10389 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [0,2,0,0,0,0|2,0,0]=4 10390 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,2,0,0,0,0|2,0,0]=4 10391 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [0,2,0,0,0,0|2,0,0]=4 10392 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,2,0,0,0,0|2,0,0]=4 10393 B10R0.74 CC/C=C\CCNC(C)CC 2230a_100000209981_100015370543 [0,2,0,0,0,0|1,0,1]=4 10394 B10R0.74 CC/C=C\CCOC(C)CC 34a_100016288707_100011215416 [0,2,0,0,0,0|1,0,1]=4 10395 B10R0.74 CC/C=C\CCOC(C)CC 7a_100000210228_100015370543 [0,2,0,0,0,0|1,0,1]=4 10396 B10R0.74 CC/C=C\CCOC(C)CC 7a_100016288707_100000758301 [0,2,0,0,0,0|1,0,1]=4 10397 B10R0.74 CC/C=C\CCSC(C)CC 62a_100000758301_100015370543 [0,2,0,0,0,0|1,0,1]=4 10398 B10R0.74 CC/C=C\CCSC(C)CC 62a_100015370543_100000758301 [0,2,0,0,0,0|1,0,1]=4 10399 B10R0.74 CC/C=C\CNCC(C)CC 2230a_100020588543_100103147603 [0,2,0,0,0,0|1,0,1]=4 10400 B10R0.74 CC/C=C\CNCC(O)CC 2230a_100011218483_100103147603 [0,2,0,0,0,0|0,0,1]=3 10401 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,2,0,0,0,0|1,0,1]=4 10402 B10R0.74 CC/C=C\COCC(C)CC 34a_100016268518_100000748023 [0,2,0,0,0,0|1,0,1]=4 10403 B10R0.74 CC/C=C\COCC(O)CC 34a_100016268518_100011218378 [0,2,0,0,0,0|0,0,1]=3 10404 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,2,0,0,0,0|1,0,1]=4 10405 B10R0.74 CC/C=C\COC[C@@H](C)CC 34a_100016268518_100009816398 [0,2,0,0,0,0|1,0,1]=4 10406 B10R0.74 CC/C=C\COC[C@@H](C)CC 7a_100009816381_100103147603 [0,2,0,0,0,0|1,0,1]=4 10407 B10R0.74 CC/C=C\COC[C@@H](O)CF 34a_100016268518_100015614560 [0,2,0,0,0,0|1,0,1]=4 10408 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,2,0,0,0,0|1,0,1]=4 10409 B10R0.74 CC/C=C\CSCC(C)CC 62a_100000748023_100103147603 [0,2,0,0,0,0|1,0,1]=4 10410 B10R0.74 CC/C=C\CSCC(C)CC 62a_100103147603_100000748023 [0,2,0,0,0,0|1,0,1]=4 10411 B10R0.74 CC/C=C\CSCC(O)CC 62a_100011218378_100103147603 [0,2,0,0,0,0|0,0,1]=3 10412 B10R0.74 CC/C=C\CSCC(O)CC 62a_100103147603_100011218378 [0,2,0,0,0,0|0,0,1]=3 10413 B10R0.74 CC/C=C\CSCC(O)CO 62a_100011219619_100103147603 [0,2,0,0,0,0|1,0,1]=4 10414 B10R0.74 CC/C=C\CSCC(O)CO 62a_100103147603_100011219619 [0,2,0,0,0,0|1,0,1]=4 10415 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100009816398_100103147603 [0,2,0,0,0,0|1,0,1]=4 10416 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100103147603_100009816398 [0,2,0,0,0,0|1,0,1]=4 10417 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100015614560_100103147603 [0,2,0,0,0,0|1,0,1]=4 10418 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100103147603_100015614560 [0,2,0,0,0,0|1,0,1]=4 10419 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100009815848_100103147603 [0,2,0,0,0,0|1,0,1]=4 10420 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100103147603_100009815848 [0,2,0,0,0,0|1,0,1]=4 10421 B10R0.74 CC=CCCCOC(C)CC 34a_100020645299_100011215416 [0,2,0,0,0,0|1,0,1]=4 10422 B10R0.74 CC=CCNCCC(C)CC 2230a_100020591266_100000070051 [0,2,0,0,0,0|1,0,1]=4 10423 B10R0.74 CC=CCOCCC(C)CC 7a_100011215188_100000070051 [0,2,0,0,0,0|1,0,1]=4 10424 B10R0.74 CCC#CCCOC(C)CC 34a_100000036655_100011215416 [0,2,0,0,0,0|1,0,1]=4 10425 B10R0.74 CCC#CCCOC(C)CC 7a_100000036655_100000758301 [0,2,0,0,0,0|1,0,1]=4 10426 B10R0.74 CCC#CCNCC(C)CC 2230a_100020588543_100009813939 [0,2,0,0,0,0|1,0,1]=4 10427 B10R0.74 CCC#CCNCC(O)CC 2230a_100011218483_100009813939 [0,2,0,0,0,0|0,0,1]=3 10428 B10R0.74 CCC#CCNC[C@H](O)CO 2230a_100020644852_100009813939 [0,2,0,0,0,0|1,0,1]=4 10429 B10R0.74 CCC#CCOCC(C)CC 34a_100000032950_100000748023 [0,2,0,0,0,0|1,0,1]=4 10430 B10R0.74 CCC#CCOCC(O)CC 34a_100000032950_100011218378 [0,2,0,0,0,0|0,0,1]=3 10431 B10R0.74 CCC#CCOCC(O)CO 34a_100000032950_100011219619 [0,2,0,0,0,0|1,0,1]=4 10432 B10R0.74 CCC#CCOC[C@@H](C)CC 34a_100000032950_100009816398 [0,2,0,0,0,0|1,0,1]=4 10433 B10R0.74 CCC#CCOC[C@@H](C)CC 7a_100009816381_100009813939 [0,2,0,0,0,0|1,0,1]=4 10434 B10R0.74 CCC#CCOC[C@@H](O)CF 34a_100000032950_100015614560 [0,2,0,0,0,0|1,0,1]=4 10435 B10R0.74 CCC#CCOC[C@@H](O)CO 34a_100000032950_100009815848 [0,2,0,0,0,0|1,0,1]=4 10436 B10R0.74 CCC#CCSCC(C)CC 62a_100000748023_100009813939 [0,2,0,0,0,0|1,0,1]=4 10437 B10R0.74 CCC#CCSCC(C)CC 62a_100009813939_100000748023 [0,2,0,0,0,0|1,0,1]=4 10438 B10R0.74 CCC#CCSCC(O)CC 62a_100009813939_100011218378 [0,2,0,0,0,0|0,0,1]=3 10439 B10R0.74 CCC#CCSCC(O)CC 62a_100011218378_100009813939 [0,2,0,0,0,0|0,0,1]=3 10440 B10R0.74 CCC#CCSCC(O)CO 62a_100009813939_100011219619 [0,2,0,0,0,0|1,0,1]=4 10441 B10R0.74 CCC#CCSCC(O)CO 62a_100011219619_100009813939 [0,2,0,0,0,0|1,0,1]=4 10442 B10R0.74 CCC#CCSC[C@@H](C)CC 62a_100009813939_100009816398 [0,2,0,0,0,0|1,0,1]=4 10443 B10R0.74 CCC#CCSC[C@@H](C)CC 62a_100009816398_100009813939 [0,2,0,0,0,0|1,0,1]=4 10444 B10R0.74 CCC#CCSC[C@@H](O)CF 62a_100009813939_100015614560 [0,2,0,0,0,0|1,0,1]=4 10445 B10R0.74 CCC#CCSC[C@@H](O)CF 62a_100015614560_100009813939 [0,2,0,0,0,0|1,0,1]=4 10446 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009813939_100009815848 [0,2,0,0,0,0|1,0,1]=4 10447 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009815848_100009813939 [0,2,0,0,0,0|1,0,1]=4 10448 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,2,0,0,0,0|0,0,2]=4 10449 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|0,0,2]=4 10450 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|0,0,2]=4 10451 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|0,0,2]=4 10452 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|0,0,2]=4 10453 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|0,0,2]=4 10454 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|0,0,2]=4 10455 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|0,0,2]=4 10456 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|0,0,2]=4 10457 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|0,0,2]=4 10458 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|0,0,2]=4 10459 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|0,0,2]=4 10460 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|0,0,2]=4 10461 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|0,0,2]=4 10462 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|0,0,2]=4 10463 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|0,0,2]=4 10464 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|0,0,2]=4 10465 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|0,0,2]=4 10466 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|0,0,2]=4 10467 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|0,0,2]=4 10468 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,2,0,0,0,0|1,0,0]=3 10469 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,2,0,0,0,0|1,0,0]=3 10470 B10R0.74 CCC(C)CCCOCC#N 7a_100011216074_100011215382 [0,2,0,0,0,0|1,0,1]=4 10471 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [0,2,0,0,0,0|1,0,1]=4 10472 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,2,0,0,0,0|1,0,0]=3 10473 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,2,0,0,0,0|1,0,0]=3 10474 B10R0.74 CCC(C)CCNCCC#N 2230a_100020591266_100011215226 [0,2,0,0,0,0|1,0,1]=4 10475 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,2,0,0,0,0|1,0,0]=3 10476 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,2,0,0,0,0|1,0,0]=3 10477 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,2,0,0,0,0|1,0,0]=3 10478 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,2,0,0,0,0|1,0,0]=3 10479 B10R0.74 CCC(C)CCOCCC#N 7a_100011215188_100000184422 [0,2,0,0,0,0|1,0,1]=4 10480 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,2,0,0,0,0|1,0,0]=3 10481 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,2,0,0,0,0|1,0,0]=3 10482 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,2,0,0,0,0|1,0,0]=3 10483 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,2,0,0,0,0|1,0,0]=3 10484 B10R0.74 CCC(C)CNCCCC#N 2230a_100020588543_100000687738 [0,2,0,0,0,0|1,0,1]=4 10485 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,2,0,0,0,0|1,0,1]=4 10486 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,2,0,0,0,0|1,0,0]=3 10487 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,2,0,0,0,0|1,0,0]=3 10488 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,2,0,0,0,0|1,0,0]=3 10489 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,2,0,0,0,0|1,0,0]=3 10490 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,2,0,0,0,0|1,0,0]=3 10491 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,2,0,0,0,0|1,0,0]=3 10492 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,2,0,0,0,0|1,0,0]=3 10493 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,2,0,0,0,0|1,0,0]=3 10494 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,2,0,0,0,0|1,0,0]=3 10495 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,2,0,0,0,0|1,0,0]=3 10496 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,2,0,0,0,0|1,0,0]=3 10497 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,2,0,0,0,0|1,0,0]=3 10498 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,2,0,0,0,0|1,0,0]=3 10499 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,2,0,0,0,0|1,0,0]=3 10500 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,2,0,0,0,0|1,0,0]=3 10501 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,2,0,0,0,0|1,0,0]=3 10502 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,2,0,0,0,0|1,0,0]=3 10503 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,2,0,0,0,0|1,0,0]=3 10504 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,2,0,0,0,0|1,0,0]=3 10505 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,2,0,0,0,0|1,0,0]=3 10506 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,2,0,0,0,0|1,0,0]=3 10507 B10R0.74 CCC(C)CSCCCC#N 62a_100000687738_100000748023 [0,2,0,0,0,0|1,0,1]=4 10508 B10R0.74 CCC(C)CSCCCC#N 62a_100000748023_100000687738 [0,2,0,0,0,0|1,0,1]=4 10509 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,2,0,0,0,0|1,0,1]=4 10510 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,2,0,0,0,0|1,0,1]=4 10511 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,2,0,0,0,0|1,0,0]=3 10512 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,2,0,0,0,0|1,0,0]=3 10513 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,2,0,0,0,0|1,0,0]=3 10514 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,2,0,0,0,0|1,0,0]=3 10515 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,2,0,0,0,0|1,0,0]=3 10516 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,2,0,0,0,0|1,0,0]=3 10517 B10R0.74 CCC(C)NCCCCC#N 2230a_100000209981_100000211819 [0,2,0,0,0,0|1,0,1]=4 10518 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [0,2,0,0,0,0|1,0,1]=4 10519 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,2,0,0,0,0|1,0,0]=3 10520 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,2,0,0,0,0|1,0,0]=3 10521 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,2,0,0,0,0|1,0,0]=3 10522 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,2,0,0,0,0|1,0,0]=3 10523 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,2,0,0,0,0|1,0,0]=3 10524 B10R0.74 CCC(C)NCCOCCO 2230a_100000209981_100011215305 [0,2,0,0,0,0|2,0,0]=4 10525 B10R0.74 CCC(C)NCCOCCO 2230a_100000211614_100000758301 [0,2,0,0,0,0|2,0,0]=4 10526 B10R0.74 CCC(C)NCCOCCO 34a_100000211614_100011215416 [0,2,0,0,0,0|2,0,0]=4 10527 B10R0.74 CCC(C)NCCSCCO 2230a_100011219999_100000758301 [0,2,0,0,0,0|2,0,0]=4 10528 B10R0.74 CCC(C)NCOCCOC 2230a_100000209981_100000231047 [0,2,0,0,0,0|2,0,0]=4 10529 B10R0.74 CCC(C)OCCCCC#N 7a_100000210228_100000211819 [0,2,0,0,0,0|1,0,1]=4 10530 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [0,2,0,0,0,0|1,0,1]=4 10531 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,2,0,0,0,0|1,0,0]=3 10532 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,2,0,0,0,0|1,0,0]=3 10533 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,2,0,0,0,0|1,0,0]=3 10534 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,2,0,0,0,0|1,0,0]=3 10535 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,2,0,0,0,0|1,0,0]=3 10536 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,2,0,0,0,0|1,0,0]=3 10537 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,2,0,0,0,0|1,0,0]=3 10538 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,2,0,0,0,0|1,0,0]=3 10539 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,2,0,0,0,0|1,0,0]=3 10540 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,2,0,0,0,0|1,0,0]=3 10541 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,2,0,0,0,0|1,0,0]=3 10542 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,2,0,0,0,0|1,0,0]=3 10543 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,2,0,0,0,0|1,0,0]=3 10544 B10R0.74 CCC(C)OCCOCCBr 34a_100000692535_100011215416 [0,2,0,0,0,0|2,0,0]=4 10545 B10R0.74 CCC(C)OCCOCCBr 7a_100000692535_100000758301 [0,2,0,0,0,0|2,0,0]=4 10546 B10R0.74 CCC(C)OCCOCCCl 34a_100011215305_100011215416 [0,2,0,0,0,0|2,0,0]=4 10547 B10R0.74 CCC(C)OCCOCCCl 7a_100011215305_100000758301 [0,2,0,0,0,0|2,0,0]=4 10548 B10R0.74 CCC(C)OCCOCCF 34a_200015357709_100011215416 [0,2,0,0,0,0|2,0,0]=4 10549 B10R0.74 CCC(C)OCCOCCF 7a_200015357709_100000758301 [0,2,0,0,0,0|2,0,0]=4 10550 B10R0.74 CCC(C)OCCOCCI 34a_100012149058_100011215416 [0,2,0,0,0,0|2,0,0]=4 10551 B10R0.74 CCC(C)OCCOCCI 7a_100012149058_100000758301 [0,2,0,0,0,0|2,0,0]=4 10552 B10R0.74 CCC(C)OCCOCCN 34a_100000211614_100011215416 [0,2,0,0,0,0|2,0,0]=4 10553 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [0,2,0,0,0,0|2,0,0]=4 10554 B10R0.74 CCC(C)SCCCCC#N 62a_100000758301_100000211819 [0,2,0,0,0,0|1,0,1]=4 10555 B10R0.74 CCC(C)SCCCCC#N 62a_100011219923_100000758301 [0,2,0,0,0,0|1,0,1]=4 10556 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [0,2,0,0,0,0|1,0,1]=4 10557 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [0,2,0,0,0,0|1,0,1]=4 10558 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,2,0,0,0,0|1,0,0]=3 10559 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,2,0,0,0,0|1,0,0]=3 10560 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,2,0,0,0,0|1,0,0]=3 10561 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,2,0,0,0,0|1,0,0]=3 10562 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,2,0,0,0,0|1,0,0]=3 10563 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,2,0,0,0,0|1,0,0]=3 10564 B10R0.74 CCC(C)SCCOCCO 62a_100000758301_100011215305 [0,2,0,0,0,0|2,0,0]=4 10565 B10R0.74 CCC(C)SCCOCCO 62a_100011215305_100000758301 [0,2,0,0,0,0|2,0,0]=4 10566 B10R0.74 CCC(C)SCOCCOC 62a_100000231047_100000758301 [0,2,0,0,0,0|2,0,0]=4 10567 B10R0.74 CCC(C)SCOCCOC 62a_100000758301_100000231047 [0,2,0,0,0,0|2,0,0]=4 10568 B10R0.74 CCC(O)CNCC#CCO 2230a_100011218483_200000047223 [0,2,0,0,0,0|0,0,2]=4 10569 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,2,0,0,0,0|0,0,1]=3 10570 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,2,0,0,0,0|0,0,1]=3 10571 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,2,0,0,0,0|0,0,0]=2 10572 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,2,0,0,0,0|0,0,0]=2 10573 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,2,0,0,0,0|0,0,0]=2 10574 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,2,0,0,0,0|0,0,0]=2 10575 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,2,0,0,0,0|0,0,0]=2 10576 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,2,0,0,0,0|0,0,0]=2 10577 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,2,0,0,0,0|0,0,0]=2 10578 B10R0.74 CCC(O)COCC#CCCl 34a_200000047223_100011218378 [0,2,0,0,0,0|0,0,2]=4 10579 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,2,0,0,0,0|0,0,0]=2 10580 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,2,0,0,0,0|0,0,0]=2 10581 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,2,0,0,0,0|0,0,0]=2 10582 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,2,0,0,0,0|0,0,0]=2 10583 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,2,0,0,0,0|0,0,0]=2 10584 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,2,0,0,0,0|0,0,0]=2 10585 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,2,0,0,0,0|0,0,0]=2 10586 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,2,0,0,0,0|0,0,0]=2 10587 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,2,0,0,0,0|0,0,0]=2 10588 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,2,0,0,0,0|0,0,0]=2 10589 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,2,0,0,0,0|0,0,0]=2 10590 B10R0.74 CCC(O)CSCC#CCO 62a_100011218378_200000047223 [0,2,0,0,0,0|0,0,2]=4 10591 B10R0.74 CCC(O)CSCC#CCO 62a_200000047223_100011218378 [0,2,0,0,0,0|0,0,2]=4 10592 B10R0.74 CCC(O)CSCCCC#N 62a_100000687738_100011218378 [0,2,0,0,0,0|0,0,1]=3 10593 B10R0.74 CCC(O)CSCCCC#N 62a_100011218378_100000687738 [0,2,0,0,0,0|0,0,1]=3 10594 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,2,0,0,0,0|0,0,1]=3 10595 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,2,0,0,0,0|0,0,1]=3 10596 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,2,0,0,0,0|0,0,0]=2 10597 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,2,0,0,0,0|0,0,0]=2 10598 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,2,0,0,0,0|0,0,0]=2 10599 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,2,0,0,0,0|0,0,0]=2 10600 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,2,0,0,0,0|0,0,0]=2 10601 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,2,0,0,0,0|0,0,0]=2 10602 B10R0.74 CCC(O)CSCCSC#N 62a_100000034367_100011218378 [0,2,0,0,0,0|1,0,1]=4 10603 B10R0.74 CCC(O)CSCCSC#N 62a_100011218378_100000034367 [0,2,0,0,0,0|1,0,1]=4 10604 B10R0.74 CCC/C=C/COC(C)CC 34a_100016278788_100011215416 [0,2,0,0,0,0|1,0,1]=4 10605 B10R0.74 CCC/C=C/COC(C)CC 7a_100016278788_100000758301 [0,2,0,0,0,0|1,0,1]=4 10606 B10R0.74 CCCC#CCOC(C)CC 34a_100000034806_100011215416 [0,2,0,0,0,0|1,0,1]=4 10607 B10R0.74 CCCC#CCOC(C)CC 7a_100000034806_100000758301 [0,2,0,0,0,0|1,0,1]=4 10608 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|0,0,2]=4 10609 B10R0.74 CCCC=NNCC(O)CC 4a_100015206393_100000185831 [0,2,0,0,0,0|0,0,1]=3 10610 B10R0.74 CCCCC=NNC(C)CC 4a_100000718999_100000210104 [0,2,0,0,0,0|1,0,1]=4 10611 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|0,0,2]=4 10612 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|0,0,2]=4 10613 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|0,0,2]=4 10614 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|0,0,2]=4 10615 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,2,0,0,0,0|2,0,0]=4 10616 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,2,0,0,0,0|2,0,0]=4 10617 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,2,0,0,0,0|2,0,0]=4 10618 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,2,0,0,0,0|2,0,0]=4 10619 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,2,0,0,0,0|2,0,0]=4 10620 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,2,0,0,0,0|2,0,0]=4 10621 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,2,0,0,0,0|2,0,0]=4 10622 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,2,0,0,0,0|2,0,0]=4 10623 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,2,0,0,0,0|2,0,0]=4 10624 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,2,0,0,0,0|2,0,0]=4 10625 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,2,0,0,0,0|2,0,0]=4 10626 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,2,0,0,0,0|2,0,0]=4 10627 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,2,0,0,0,0|2,0,0]=4 10628 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,2,0,0,0,0|2,0,0]=4 10629 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,2,0,0,0,0|2,0,0]=4 10630 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,2,0,0,0,0|2,0,0]=4 10631 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,2,0,0,0,0|2,0,0]=4 10632 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,2,0,0,0,0|2,0,0]=4 10633 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,2,0,0,0,0|2,0,0]=4 10634 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,2,0,0,0,0|2,0,0]=4 10635 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,2,0,0,0,0|2,0,0]=4 10636 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 10637 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 10638 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 10639 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 10640 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,2,0,0,0,0|1,0,0]=3 10641 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,2,0,0,0,0|1,0,0]=3 10642 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,2,0,0,0,0|2,0,0]=4 10643 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,2,0,0,0,0|2,0,0]=4 10644 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,2,0,0,0,0|1,0,0]=3 10645 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,2,0,0,0,0|1,0,0]=3 10646 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,2,0,0,0,0|1,0,0]=3 10647 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,2,0,0,0,0|2,0,0]=4 10648 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,2,0,0,0,0|2,0,0]=4 10649 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,2,0,0,0,0|2,0,0]=4 10650 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,2,0,0,0,0|2,0,0]=4 10651 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,2,0,0,0,0|2,0,0]=4 10652 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,2,0,0,0,0|1,0,0]=3 10653 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,2,0,0,0,0|1,0,0]=3 10654 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,2,0,0,0,0|2,0,0]=4 10655 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,2,0,0,0,0|2,0,0]=4 10656 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,2,0,0,0,0|2,0,0]=4 10657 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,2,0,0,0,0|2,0,0]=4 10658 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,2,0,0,0,0|2,0,0]=4 10659 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,2,0,0,0,0|1,0,0]=3 10660 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,2,0,0,0,0|1,0,0]=3 10661 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,2,0,0,0,0|1,0,0]=3 10662 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,2,0,0,0,0|2,0,0]=4 10663 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,2,0,0,0,0|0,0,0]=2 10664 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,2,0,0,0,0|0,0,0]=2 10665 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,2,0,0,0,0|1,0,0]=3 10666 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,2,0,0,0,0|1,0,0]=3 10667 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,2,0,0,0,0|2,0,0]=4 10668 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,2,0,0,0,0|2,0,0]=4 10669 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,2,0,0,0,0|2,0,0]=4 10670 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,2,0,0,0,0|1,0,0]=3 10671 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,2,0,0,0,0|1,0,0]=3 10672 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,2,0,0,0,0|1,0,0]=3 10673 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|0,0,2]=4 10674 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|0,0,2]=4 10675 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|0,0,2]=4 10676 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,2,0,0,0,0|1,0,0]=3 10677 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,2,0,0,0,0|1,0,0]=3 10678 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,2,0,0,0,0|2,0,0]=4 10679 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,2,0,0,0,0|2,0,0]=4 10680 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,2,0,0,0,0|2,0,0]=4 10681 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,2,0,0,0,0|0,0,0]=2 10682 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,2,0,0,0,0|0,0,0]=2 10683 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,2,0,0,0,0|1,0,0]=3 10684 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,2,0,0,0,0|1,0,0]=3 10685 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,2,0,0,0,0|1,0,0]=3 10686 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,2,0,0,0,0|1,0,0]=3 10687 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,2,0,0,0,0|1,0,0]=3 10688 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,2,0,0,0,0|2,0,0]=4 10689 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,2,0,0,0,0|2,0,0]=4 10690 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,2,0,0,0,0|1,0,0]=3 10691 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,2,0,0,0,0|1,0,0]=3 10692 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,2,0,0,0,0|1,0,0]=3 10693 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,2,0,0,0,0|1,0,0]=3 10694 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,2,0,0,0,0|2,0,0]=4 10695 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|0,0,2]=4 10696 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|0,0,2]=4 10697 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,2,0,0,0,0|1,0,0]=3 10698 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,2,0,0,0,0|1,0,0]=3 10699 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,2,0,0,0,0|0,0,0]=2 10700 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,2,0,0,0,0|0,0,0]=2 10701 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,2,0,0,0,0|1,0,0]=3 10702 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,2,0,0,0,0|1,0,0]=3 10703 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,2,0,0,0,0|1,0,0]=3 10704 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,2,0,0,0,0|1,0,0]=3 10705 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,2,0,0,0,0|2,0,0]=4 10706 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,2,0,0,0,0|2,0,0]=4 10707 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,2,0,0,0,0|1,0,0]=3 10708 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,2,0,0,0,0|1,0,0]=3 10709 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,2,0,0,0,0|1,0,0]=3 10710 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,2,0,0,0,0|1,0,0]=3 10711 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,2,0,0,0,0|1,0,0]=3 10712 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,2,0,0,0,0|2,0,0]=4 10713 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,2,0,0,0,0|2,0,0]=4 10714 B10R0.74 CCCCNN=CC(C)CC 4a_100025702795_100000243153 [0,2,0,0,0,0|1,0,1]=4 10715 B10R0.74 CCCCNN=CC(O)CO 4a_100025702795_100000033539 [0,2,0,0,0,0|1,0,1]=4 10716 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|0,0,2]=4 10717 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,2,0,0,0,0|1,0,0]=3 10718 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,2,0,0,0,0|2,0,0]=4 10719 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 10720 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 10721 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,2,0,0,0,0|1,0,0]=3 10722 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [0,2,0,0,0,0|2,0,0]=4 10723 B10R0.74 CCCCOCOC(C)CF 34a_100016041109_100011995733 [0,2,0,0,0,0|2,0,0]=4 10724 B10R0.74 CCCCOCOC(C)CN 34a_100000210904_100011995733 [0,2,0,0,0,0|2,0,0]=4 10725 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,2,0,0,0,0|1,0,0]=3 10726 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,2,0,0,0,0|1,0,0]=3 10727 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [0,2,0,0,0,0|2,0,0]=4 10728 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [0,2,0,0,0,0|2,0,0]=4 10729 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [0,2,0,0,0,0|2,0,0]=4 10730 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [0,2,0,0,0,0|2,0,0]=4 10731 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [0,2,0,0,0,0|2,0,0]=4 10732 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|0,0,2]=4 10733 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,2,0,0,0,0|1,0,0]=3 10734 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,2,0,0,0,0|2,0,0]=4 10735 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|0,0,2]=4 10736 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|0,0,2]=4 10737 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|0,0,2]=4 10738 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|0,0,2]=4 10739 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|0,0,2]=4 10740 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,2,0,0,0,0|1,0,0]=3 10741 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,2,0,0,0,0|1,0,0]=3 10742 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,2,0,0,0,0|1,0,0]=3 10743 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,2,0,0,0,0|2,0,0]=4 10744 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,2,0,0,0,0|2,0,0]=4 10745 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,2,0,0,0,0|2,0,0]=4 10746 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|0,0,2]=4 10747 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,2,0,0,0,0|1,0,0]=3 10748 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,2,0,0,0,0|1,0,0]=3 10749 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,2,0,0,0,0|1,0,0]=3 10750 B10R0.74 CCCOCCOC(C)CF 34a_100016041109_100011215938 [0,2,0,0,0,0|2,0,0]=4 10751 B10R0.74 CCCOCCOC(C)CF 7a_100016041109_100011215938 [0,2,0,0,0,0|2,0,0]=4 10752 B10R0.74 CCCOCCOC(C)CN 34a_100000210904_100011215938 [0,2,0,0,0,0|2,0,0]=4 10753 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,2,0,0,0,0|2,0,0]=4 10754 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,2,0,0,0,0|2,0,0]=4 10755 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,2,0,0,0,0|1,0,0]=3 10756 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,2,0,0,0,0|1,0,0]=3 10757 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,2,0,0,0,0|2,0,0]=4 10758 B10R0.74 CCCOCCSC(C)OC 62a_100009879195_100011215938 [0,2,0,0,0,0|2,0,0]=4 10759 B10R0.74 CCCOCCSC(C)OC 62a_100011215938_100009879195 [0,2,0,0,0,0|2,0,0]=4 10760 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,2,0,0,0,0|2,0,0]=4 10761 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,2,0,0,0,0|2,0,0]=4 10762 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,2,0,0,0,0|2,0,0]=4 10763 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|0,0,2]=4 10764 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|0,0,2]=4 10765 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|0,0,2]=4 10766 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,2,0,0,0,0|1,0,0]=3 10767 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,2,0,0,0,0|2,0,0]=4 10768 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,2,0,0,0,0|1,0,0]=3 10769 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,2,0,0,0,0|1,0,0]=3 10770 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,2,0,0,0,0|2,0,0]=4 10771 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,2,0,0,0,0|2,0,0]=4 10772 B10R0.74 CCN(C)CCCCCC#N 2230a_100000225621_100009813376 [0,2,0,0,0,0|2,0,0]=4 10773 B10R0.74 CCN(C)CCCCCC#N 269982a_100000225621_100009813376 [0,2,0,0,0,0|2,0,0]=4 10774 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,2,0,0,0,0|2,0,0]=4 10775 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,2,0,0,0,0|2,0,0]=4 10776 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,2,0,0,0,0|2,0,0]=4 10777 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,2,0,0,0,0|2,0,0]=4 10778 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,2,0,0,0,0|2,0,0]=4 10779 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,2,0,0,0,0|2,0,0]=4 10780 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [0,2,0,0,0,0|2,0,0]=4 10781 B10R0.74 CCN(C)CCCSCCF 62a_100011217306_100015186262 [0,2,0,0,0,0|2,0,0]=4 10782 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [0,2,0,0,0,0|2,0,0]=4 10783 B10R0.74 CCN(C)CCCSCOC 62a_100000766300_100015186262 [0,2,0,0,0,0|2,0,0]=4 10784 B10R0.74 CCN(C)CCCSCSC 62a_100011218213_100015186262 [0,2,0,0,0,0|2,0,0]=4 10785 B10R0.74 CCN(C)CCOCCOC 2230a_100000225621_100000695917 [0,2,0,0,0,0|2,0,0]=4 10786 B10R0.74 CCN(C)CCOCCOC 269982a_100000225621_100000695917 [0,2,0,0,0,0|2,0,0]=4 10787 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|0,0,2]=4 10788 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|0,0,2]=4 10789 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|0,0,2]=4 10790 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|0,0,2]=4 10791 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,2,0,0,0,0|1,0,0]=3 10792 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,2,0,0,0,0|1,0,0]=3 10793 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,2,0,0,0,0|1,0,0]=3 10794 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [0,2,0,0,0,0|2,0,0]=4 10795 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [0,2,0,0,0,0|2,0,0]=4 10796 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [0,2,0,0,0,0|2,0,0]=4 10797 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,2,0,0,0,0|1,0,0]=3 10798 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,2,0,0,0,0|1,0,0]=3 10799 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,2,0,0,0,0|1,0,0]=3 10800 B10R0.74 CCOCCCOC(C)CF 34a_100016041109_100012232248 [0,2,0,0,0,0|2,0,0]=4 10801 B10R0.74 CCOCCCOC(C)CF 7a_100016041109_100012232248 [0,2,0,0,0,0|2,0,0]=4 10802 B10R0.74 CCOCCCOC(C)CN 34a_100000210904_100012232248 [0,2,0,0,0,0|2,0,0]=4 10803 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,2,0,0,0,0|2,0,0]=4 10804 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,2,0,0,0,0|2,0,0]=4 10805 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,2,0,0,0,0|1,0,0]=3 10806 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,2,0,0,0,0|1,0,0]=3 10807 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [0,2,0,0,0,0|2,0,0]=4 10808 B10R0.74 CCOCCCSC(C)OC 62a_100009879195_100012232248 [0,2,0,0,0,0|2,0,0]=4 10809 B10R0.74 CCOCCCSC(C)OC 62a_100012232248_100009879195 [0,2,0,0,0,0|2,0,0]=4 10810 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [0,2,0,0,0,0|2,0,0]=4 10811 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [0,2,0,0,0,0|2,0,0]=4 10812 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,2,0,0,0,0|1,0,0]=3 10813 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,2,0,0,0,0|1,0,0]=3 10814 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,2,0,0,0,0|1,0,0]=3 10815 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,2,0,0,0,0|1,0,0]=3 10816 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,2,0,0,0,0|2,0,0]=4 10817 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,2,0,0,0,0|0,0,0]=2 10818 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,2,0,0,0,0|0,0,0]=2 10819 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,2,0,0,0,0|0,0,0]=2 10820 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,2,0,0,0,0|1,0,0]=3 10821 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,2,0,0,0,0|1,0,0]=3 10822 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,2,0,0,0,0|1,0,0]=3 10823 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,2,0,0,0,0|1,0,0]=3 10824 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,2,0,0,0,0|2,0,0]=4 10825 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,2,0,0,0,0|2,0,0]=4 10826 B10R0.74 CCOCCNC[C@@H](C)OC 2230a_100020591295_100011215890 [0,2,0,0,0,0|2,0,0]=4 10827 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,2,0,0,0,0|2,0,0]=4 10828 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,2,0,0,0,0|1,0,0]=3 10829 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,2,0,0,0,0|1,0,0]=3 10830 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,2,0,0,0,0|1,0,0]=3 10831 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,2,0,0,0,0|1,0,0]=3 10832 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,2,0,0,0,0|1,0,0]=3 10833 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|0,0,2]=4 10834 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|0,0,2]=4 10835 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,2,0,0,0,0|1,0,0]=3 10836 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,2,0,0,0,0|1,0,0]=3 10837 B10R0.74 CCOCCOCC(C)CN 34a_100000744482_100000210147 [0,2,0,0,0,0|2,0,0]=4 10838 B10R0.74 CCOCCOCC(C)OC 34a_100000690652_100000210147 [0,2,0,0,0,0|2,0,0]=4 10839 B10R0.74 CCOCCOCC(Cl)CCl 34a_100000033668_100000210147 [0,2,0,0,0,0|2,0,0]=4 10840 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,2,0,0,0,0|0,0,0]=2 10841 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,2,0,0,0,0|0,0,0]=2 10842 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,2,0,0,0,0|1,0,0]=3 10843 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,2,0,0,0,0|1,0,0]=3 10844 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,2,0,0,0,0|1,0,0]=3 10845 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,2,0,0,0,0|1,0,0]=3 10846 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,2,0,0,0,0|1,0,0]=3 10847 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,2,0,0,0,0|2,0,0]=4 10848 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,2,0,0,0,0|2,0,0]=4 10849 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,2,0,0,0,0|1,0,0]=3 10850 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,2,0,0,0,0|1,0,0]=3 10851 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,2,0,0,0,0|1,0,0]=3 10852 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,2,0,0,0,0|1,0,0]=3 10853 B10R0.74 CCOCCOC[C@H](F)CN 34a_100015665980_100000210147 [0,2,0,0,0,0|2,0,0]=4 10854 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,2,0,0,0,0|0,0,2]=4 10855 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,2,0,0,0,0|0,0,2]=4 10856 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,2,0,0,0,0|1,0,0]=3 10857 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,2,0,0,0,0|1,0,0]=3 10858 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,2,0,0,0,0|0,0,0]=2 10859 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,2,0,0,0,0|0,0,0]=2 10860 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,2,0,0,0,0|1,0,0]=3 10861 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,2,0,0,0,0|1,0,0]=3 10862 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,2,0,0,0,0|1,0,0]=3 10863 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,2,0,0,0,0|1,0,0]=3 10864 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [0,2,0,0,0,0|2,0,0]=4 10865 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [0,2,0,0,0,0|2,0,0]=4 10866 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100000210147_100015614560 [0,2,0,0,0,0|1,0,0]=3 10867 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100015614560_100011215890 [0,2,0,0,0,0|1,0,0]=3 10868 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,2,0,0,0,0|1,0,0]=3 10869 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,2,0,0,0,0|1,0,0]=3 10870 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,2,0,0,0,0|1,0,0]=3 10871 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,2,0,0,0,0|1,0,0]=3 10872 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,2,0,0,0,0|2,0,0]=4 10873 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,2,0,0,0,0|2,0,0]=4 10874 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,2,0,0,0,0|1,0,0]=3 10875 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,2,0,0,0,0|1,0,0]=3 10876 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,2,0,0,0,0|1,0,0]=3 10877 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,2,0,0,0,0|2,0,0]=4 10878 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,2,0,0,0,0|0,0,0]=2 10879 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,2,0,0,0,0|0,0,0]=2 10880 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,2,0,0,0,0|1,0,0]=3 10881 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,2,0,0,0,0|1,0,0]=3 10882 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,2,0,0,0,0|2,0,0]=4 10883 B10R0.74 CCSCCNC[C@@H](C)OC 2230a_100020591295_100000757381 [0,2,0,0,0,0|2,0,0]=4 10884 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,2,0,0,0,0|2,0,0]=4 10885 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,2,0,0,0,0|1,0,0]=3 10886 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,2,0,0,0,0|1,0,0]=3 10887 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,2,0,0,0,0|1,0,0]=3 10888 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,2,0,0,0,0|0,0,2]=4 10889 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,2,0,0,0,0|0,0,2]=4 10890 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,2,0,0,0,0|1,0,0]=3 10891 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,2,0,0,0,0|1,0,0]=3 10892 B10R0.74 CCSCCOCC(C)CN 34a_100000744482_100000757381 [0,2,0,0,0,0|2,0,0]=4 10893 B10R0.74 CCSCCOCC(C)OC 34a_100000690652_100000757381 [0,2,0,0,0,0|2,0,0]=4 10894 B10R0.74 CCSCCOCC(Cl)CCl 34a_100000033668_100000757381 [0,2,0,0,0,0|2,0,0]=4 10895 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,2,0,0,0,0|0,0,0]=2 10896 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,2,0,0,0,0|0,0,0]=2 10897 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,2,0,0,0,0|1,0,0]=3 10898 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,2,0,0,0,0|1,0,0]=3 10899 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,2,0,0,0,0|1,0,0]=3 10900 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,2,0,0,0,0|1,0,0]=3 10901 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,2,0,0,0,0|1,0,0]=3 10902 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [0,2,0,0,0,0|2,0,0]=4 10903 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [0,2,0,0,0,0|2,0,0]=4 10904 B10R0.74 CCSCCOC[C@@H](O)CF 34a_100000212035_100015614560 [0,2,0,0,0,0|1,0,0]=3 10905 B10R0.74 CCSCCOC[C@@H](O)CF 7a_100000212035_100015614560 [0,2,0,0,0,0|1,0,0]=3 10906 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,2,0,0,0,0|1,0,0]=3 10907 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,2,0,0,0,0|1,0,0]=3 10908 B10R0.74 CCSCCOC[C@H](F)CN 34a_100015665980_100000757381 [0,2,0,0,0,0|2,0,0]=4 10909 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,2,0,0,0,0|0,0,2]=4 10910 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,2,0,0,0,0|0,0,2]=4 10911 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,2,0,0,0,0|1,0,0]=3 10912 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,2,0,0,0,0|1,0,0]=3 10913 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,2,0,0,0,0|0,0,0]=2 10914 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,2,0,0,0,0|0,0,0]=2 10915 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,2,0,0,0,0|1,0,0]=3 10916 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,2,0,0,0,0|1,0,0]=3 10917 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,2,0,0,0,0|1,0,0]=3 10918 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,2,0,0,0,0|1,0,0]=3 10919 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [0,2,0,0,0,0|2,0,0]=4 10920 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [0,2,0,0,0,0|2,0,0]=4 10921 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100000757381_100015614560 [0,2,0,0,0,0|1,0,0]=3 10922 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100015614560_100000757381 [0,2,0,0,0,0|1,0,0]=3 10923 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,2,0,0,0,0|1,0,0]=3 10924 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,2,0,0,0,0|1,0,0]=3 10925 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,2,0,0,0,0|1,0,0]=3 10926 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,2,0,0,0,0|1,0,0]=3 10927 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,2,0,0,0,0|1,0,0]=3 10928 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,2,0,0,0,0|1,0,0]=3 10929 B10R0.74 CC[C@H](C)COCCCC#N 7a_100009816381_100000687738 [0,2,0,0,0,0|1,0,1]=4 10930 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,2,0,0,0,0|1,0,1]=4 10931 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,2,0,0,0,0|1,0,0]=3 10932 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,2,0,0,0,0|1,0,0]=3 10933 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,2,0,0,0,0|1,0,0]=3 10934 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,2,0,0,0,0|1,0,0]=3 10935 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,2,0,0,0,0|1,0,0]=3 10936 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,2,0,0,0,0|1,0,0]=3 10937 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,2,0,0,0,0|1,0,0]=3 10938 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,2,0,0,0,0|1,0,0]=3 10939 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,2,0,0,0,0|1,0,0]=3 10940 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,2,0,0,0,0|1,0,0]=3 10941 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,2,0,0,0,0|1,0,0]=3 10942 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,2,0,0,0,0|1,0,0]=3 10943 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,2,0,0,0,0|1,0,0]=3 10944 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,2,0,0,0,0|1,0,0]=3 10945 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100000687738_100009816398 [0,2,0,0,0,0|1,0,1]=4 10946 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100009816398_100000687738 [0,2,0,0,0,0|1,0,1]=4 10947 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,2,0,0,0,0|1,0,1]=4 10948 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,2,0,0,0,0|1,0,1]=4 10949 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,2,0,0,0,0|1,0,0]=3 10950 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,2,0,0,0,0|1,0,0]=3 10951 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,2,0,0,0,0|1,0,0]=3 10952 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,2,0,0,0,0|1,0,0]=3 10953 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,2,0,0,0,0|1,0,0]=3 10954 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,2,0,0,0,0|1,0,0]=3 10955 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,2,0,0,0,0|1,0,0]=3 10956 B10R0.74 CNCCCOC[C@@H](C)CO 34a_100000213112_100000059175 [0,2,0,0,0,0|2,0,0]=4 10957 B10R0.74 CNCCCOC[C@@H](O)CF 34a_100000213112_100015614560 [0,2,0,0,0,0|1,0,0]=3 10958 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,2,0,0,0,0|1,0,0]=3 10959 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [0,2,0,0,0,0|2,0,0]=4 10960 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,2,0,0,0,0|2,0,0]=4 10961 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [0,2,0,0,0,0|2,0,0]=4 10962 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [0,2,0,0,0,0|2,0,0]=4 10963 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [0,2,0,0,0,0|2,0,0]=4 10964 B10R0.74 COC(C)SCCCCCF 62a_100000729378_100009879195 [0,2,0,0,0,0|2,0,0]=4 10965 B10R0.74 COC(C)SCCCCCF 62a_100009879195_100000729378 [0,2,0,0,0,0|2,0,0]=4 10966 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [0,2,0,0,0,0|2,0,0]=4 10967 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [0,2,0,0,0,0|2,0,0]=4 10968 B10R0.74 COCCCCN[C@H](C)CO 2230a_100000737577_100000730899 [0,2,0,0,0,0|2,0,0]=4 10969 B10R0.74 COCCCCOC(C)CF 34a_100016041109_100000755781 [0,2,0,0,0,0|2,0,0]=4 10970 B10R0.74 COCCCCOC(C)CF 7a_100016041109_100000730899 [0,2,0,0,0,0|2,0,0]=4 10971 B10R0.74 COCCCCOC(C)CN 34a_100000210904_100000755781 [0,2,0,0,0,0|2,0,0]=4 10972 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [0,2,0,0,0,0|2,0,0]=4 10973 B10R0.74 COCCCCSC(C)CO 62a_100012180447_100000730899 [0,2,0,0,0,0|2,0,0]=4 10974 B10R0.74 COCCCCSC(C)OC 62a_100000730899_100009879195 [0,2,0,0,0,0|2,0,0]=4 10975 B10R0.74 COCCCCSC(C)OC 62a_100009879195_100000730899 [0,2,0,0,0,0|2,0,0]=4 10976 B10R0.74 COCCCCS[C@H](C)CO 62a_100000730899_100016084084 [0,2,0,0,0,0|2,0,0]=4 10977 B10R0.74 COCCCCS[C@H](C)CO 62a_100016084084_100000730899 [0,2,0,0,0,0|2,0,0]=4 10978 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [0,2,0,0,0,0|2,0,0]=4 10979 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,2,0,0,0,0|1,0,0]=3 10980 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [0,2,0,0,0,0|2,0,0]=4 10981 B10R0.74 COCCCNC[C@@H](C)OC 2230a_100020591295_100000740836 [0,2,0,0,0,0|2,0,0]=4 10982 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [0,2,0,0,0,0|2,0,0]=4 10983 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,2,0,0,0,0|1,0,0]=3 10984 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,2,0,0,0,0|1,0,0]=3 10985 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,2,0,0,0,0|1,0,0]=3 10986 B10R0.74 COCCCOCC(C)CN 34a_100000744482_100000740836 [0,2,0,0,0,0|2,0,0]=4 10987 B10R0.74 COCCCOCC(C)OC 34a_100000690652_100000740836 [0,2,0,0,0,0|2,0,0]=4 10988 B10R0.74 COCCCOCC(Cl)CCl 34a_100000033668_100000740836 [0,2,0,0,0,0|2,0,0]=4 10989 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,2,0,0,0,0|1,0,0]=3 10990 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,2,0,0,0,0|2,0,0]=4 10991 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,2,0,0,0,0|1,0,0]=3 10992 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,2,0,0,0,0|1,0,0]=3 10993 B10R0.74 COCCCOC[C@H](F)CN 34a_100015665980_100000740836 [0,2,0,0,0,0|2,0,0]=4 10994 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,2,0,0,0,0|1,0,0]=3 10995 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,2,0,0,0,0|1,0,0]=3 10996 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [0,2,0,0,0,0|2,0,0]=4 10997 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [0,2,0,0,0,0|2,0,0]=4 10998 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,2,0,0,0,0|1,0,0]=3 10999 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,2,0,0,0,0|1,0,0]=3 11000 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,2,0,0,0,0|1,0,0]=3 11001 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,2,0,0,0,0|1,0,0]=3 11002 B10R0.74 COCCNCCC(C)CO 2230a_106354213184_100011201679 [0,2,0,0,0,0|2,0,0]=4 11003 B10R0.74 COCCNCCC(C)CO 34a_106354213184_100011201679 [0,2,0,0,0,0|2,0,0]=4 11004 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [0,2,0,0,0,0|2,0,0]=4 11005 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [0,2,0,0,0,0|2,0,0]=4 11006 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [0,2,0,0,0,0|2,0,0]=4 11007 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,2,0,0,0,0|2,0,0]=4 11008 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,2,0,0,0,0|2,0,0]=4 11009 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,2,0,0,0,0|1,0,0]=3 11010 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [0,2,0,0,0,0|2,0,0]=4 11011 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,2,0,0,0,0|1,0,0]=3 11012 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,2,0,0,0,0|1,0,0]=3 11013 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,2,0,0,0,0|1,0,0]=3 11014 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,2,0,0,0,0|1,0,0]=3 11015 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [0,2,0,0,0,0|2,0,0]=4 11016 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [0,2,0,0,0,0|2,0,0]=4 11017 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,2,0,0,0,0|1,0,0]=3 11018 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,2,0,0,0,0|1,0,0]=3 11019 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,2,0,0,0,0|1,0,0]=3 11020 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,2,0,0,0,0|1,0,0]=3 11021 B10R0.74 CSCCNCCC(C)CO 2230a_106354213184_100000751147 [0,2,0,0,0,0|2,0,0]=4 11022 B10R0.74 CSCCNCCC(C)CO 34a_106354213184_100000212216 [0,2,0,0,0,0|2,0,0]=4 11023 B10R0.74 CSCOCCC[C@@H](C)CN 34a_100160569302_100011218213 [0,2,0,0,0,0|2,0,0]=4 11024 B10R0.74 C[C@@H](CN)CCCOCCF 34a_100160569302_100011217306 [0,2,0,0,0,0|2,0,0]=4 11025 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [0,2,0,0,0,0|2,0,0]=4 11026 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,2,0,0,0,0|2,0,0]=4 11027 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,2,0,0,0,0|2,0,0]=4 11028 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [0,2,0,0,0,0|2,0,0]=4 11029 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [0,2,0,0,0,0|2,0,0]=4 11030 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [0,2,0,0,0,0|2,0,0]=4 11031 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [0,2,0,0,0,0|2,0,0]=4 11032 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [0,2,0,0,0,0|2,0,0]=4 11033 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [0,2,0,0,0,0|2,0,0]=4 11034 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [0,2,0,0,0,0|2,0,0]=4 11035 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [0,2,0,0,0,0|2,0,0]=4 11036 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [0,2,0,0,0,0|2,0,0]=4 11037 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,2,0,0,0,0|2,0,0]=4 11038 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,2,0,0,0,0|2,0,0]=4 11039 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [0,2,0,0,0,0|2,0,0]=4 11040 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,2,0,0,0,0|2,0,0]=4 11041 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [0,2,0,0,0,0|2,0,0]=4 11042 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [0,2,0,0,0,0|2,0,0]=4 11043 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,2,0,0,0,0|2,0,0]=4 11044 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,2,0,0,0,0|2,0,0]=4 11045 B10R0.74 FCCCCOCC(Cl)CCl 34a_100000033668_100000729493 [0,2,0,0,0,0|2,0,0]=4 11046 B10R0.74 N#CCCCNC[C@H](O)CO 2230a_100020644852_100000687738 [0,2,0,0,0,0|1,0,1]=4 11047 B10R0.74 N#CCCCSCC(O)CO 62a_100000687738_100011219619 [0,2,0,0,0,0|1,0,1]=4 11048 B10R0.74 N#CCCCSCC(O)CO 62a_100011219619_100000687738 [0,2,0,0,0,0|1,0,1]=4 11049 B10R0.74 N#CCCCSC[C@@H](O)CF 62a_100000687738_100015614560 [0,2,0,0,0,0|1,0,1]=4 11050 B10R0.74 N#CCCCSC[C@@H](O)CF 62a_100015614560_100000687738 [0,2,0,0,0,0|1,0,1]=4 11051 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100000687738_100009815848 [0,2,0,0,0,0|1,0,1]=4 11052 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100009815848_100000687738 [0,2,0,0,0,0|1,0,1]=4 11053 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,2,0,0,0,0|1,0,0]=3 11054 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,2,0,0,0,0|1,0,0]=3 11055 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,2,0,0,0,0|1,0,0]=3 11056 B10R0.74 NC[C@@H](F)COCCCCF 34a_100015665980_100000729493 [0,2,0,0,0,0|2,0,0]=4 11057 B10R0.74 NC[C@@H](F)COCCCCO 34a_100015665980_100011216708 [0,2,0,0,0,0|2,0,0]=4 11058 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,2,0,0,0,0|1,0,1]=4 11059 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,2,0,0,0,0|1,0,1]=4 11060 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,2,0,0,0,0|1,0,1]=4 11061 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_100015614560_200011292268 [0,2,0,0,0,0|1,0,1]=4 11062 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_200011292268_100015614560 [0,2,0,0,0,0|1,0,1]=4 11063 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,2,0,0,0,0|1,0,1]=4 11064 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,2,0,0,0,0|1,0,1]=4 11065 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,2,0,0,0,0|1,0,0]=3 11066 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,2,0,0,0,0|1,0,0]=3 11067 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,2,0,0,0,0|1,0,0]=3 11068 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,2,0,0,0,0|1,0,0]=3 11069 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,2,0,0,0,0|1,0,0]=3 11070 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,2,0,0,0,0|1,0,0]=3 11071 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,2,0,0,0,0|1,0,0]=3 11072 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,2,0,0,0,0|1,0,0]=3 11073 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,2,0,0,0,0|1,0,0]=3 11074 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,2,0,0,0,0|1,0,0]=3 11075 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,2,0,0,0,0|2,0,0]=4 11076 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,2,0,0,0,0|1,0,0]=3 11077 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,2,0,0,0,0|1,0,0]=3 11078 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,2,0,0,0,0|1,0,0]=3 11079 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,2,0,0,0,0|1,0,0]=3 11080 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,2,0,0,0,0|1,0,0]=3 11081 B10R0.74 OCCCCOCC(Cl)CCl 34a_100000033668_100011216708 [0,2,0,0,0,0|2,0,0]=4 11082 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,2,0,0,0,0|1,0,0]=3 11083 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,2,0,0,0,0|1,0,0]=3 11084 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,2,0,0,0,0|1,0,0]=3 11085 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,2,0,0,0,0|1,0,0]=3 11086 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,2,0,0,0,0|1,0,0]=3 11087 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,2,0,0,0,0|1,0,0]=3 11088 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,2,0,0,0,0|1,0,0]=3 11089 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [0,2,0,0,0,0|2,0,0]=4 11090 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,2,0,0,0,0|1,0,0]=3 11091 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,2,0,0,0,0|1,0,0]=3 11092 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,2,0,0,0,0|1,0,0]=3 11093 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,2,0,0,0,0|1,0,0]=3 11094 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,2,0,0,0,0|1,0,0]=3 11095 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,2,0,0,0,0|1,0,0]=3 11096 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,2,0,0,0,0|1,0,0]=3 11097 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,2,0,0,0,0|1,0,0]=3 11098 B10R0.74 O[C@@H](CF)COCCCCBr 34a_100011216708_100015614560 [0,2,0,0,0,0|1,0,0]=3 11099 B10R0.74 O[C@@H](CF)COCCCCCl 34a_100000210776_100015614560 [0,2,0,0,0,0|1,0,0]=3 11100 B10R0.74 O[C@@H](CF)COCCCCCl 7a_100000210776_100015614560 [0,2,0,0,0,0|1,0,0]=3 11101 B10R0.74 O[C@@H](CF)COCCCCF 34a_100011995726_100015614560 [0,2,0,0,0,0|1,0,0]=3 11102 B10R0.74 O[C@@H](CF)COCCCCF 7a_100011995726_100015614560 [0,2,0,0,0,0|1,0,0]=3 11103 B10R0.74 O[C@@H](CF)COCCCCI 34a_200012148704_100015614560 [0,2,0,0,0,0|1,0,0]=3 11104 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100000729493_100015614560 [0,2,0,0,0,0|1,0,0]=3 11105 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100015614560_100000729493 [0,2,0,0,0,0|1,0,0]=3 11106 B10R0.75 C#CCCNCC(O)C(C)C 2230a_100000759067_100000688953 [0,2,0,0,0,0|0,0,2]=4 11107 B10R0.75 C#CCCNCC(O)C(C)C 34a_100000759067_100000688953 [0,2,0,0,0,0|0,0,2]=4 11108 B10R0.75 C/C=C/CNCC(O)C(C)C 34a_100000759067_100102629194 [0,2,0,0,0,0|0,0,2]=4 11109 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,2,0,0,0,0|1,0,1]=4 11110 B10R0.75 C=CCCNCC(O)C(C)C 2230a_100000759067_100000754431 [0,2,0,0,0,0|0,0,2]=4 11111 B10R0.75 C=CCCNCC(O)C(C)C 34a_100000759067_100000754431 [0,2,0,0,0,0|0,0,2]=4 11112 B10R0.75 CC#CCNCC(O)C(C)C 2230a_100000759067_100000748600 [0,2,0,0,0,0|0,0,2]=4 11113 B10R0.75 CC#CCNCC(O)C(C)C 34a_100000759067_100000748600 [0,2,0,0,0,0|0,0,2]=4 11114 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|0,0,2]=4 11115 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|0,0,2]=4 11116 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|0,0,2]=4 11117 B10R0.75 CC(C)C(C)NCCCCF 2230a_100000211541_100000729493 [0,2,0,0,0,0|2,0,0]=4 11118 B10R0.75 CC(C)C(C)NCCCCO 2230a_100000211541_100000210776 [0,2,0,0,0,0|2,0,0]=4 11119 B10R0.75 CC(C)C(C)OCCCCF 7a_100000748068_100000729493 [0,2,0,0,0,0|2,0,0]=4 11120 B10R0.75 CC(C)C(C)OCCCCO 7a_100000748068_100000210776 [0,2,0,0,0,0|2,0,0]=4 11121 B10R0.75 CC(C)C(N)CCOCCF 34a_100161115045_100011217306 [0,2,0,0,0,0|2,0,0]=4 11122 B10R0.75 CC(C)C(N)CCOCCO 34a_100161115045_100000211926 [0,2,0,0,0,0|2,0,0]=4 11123 B10R0.75 CC(C)C(O)CNCCC#N 2230a_100000759067_100011215226 [0,2,0,0,0,0|1,0,1]=4 11124 B10R0.75 CC(C)C(O)CNCCCF 2230a_100000759067_100011934791 [0,2,0,0,0,0|1,0,0]=3 11125 B10R0.75 CC(C)C(O)CNCCCF 34a_100000759067_100011934791 [0,2,0,0,0,0|1,0,0]=3 11126 B10R0.75 CC(C)C(O)CNCCCO 2230a_100000759067_100000230001 [0,2,0,0,0,0|1,0,0]=3 11127 B10R0.75 CC(C)C(O)CNCCCO 34a_100000759067_100000230001 [0,2,0,0,0,0|1,0,0]=3 11128 B10R0.75 CC(C)N(C)CCCCCF 269982a_200000211004_100000729378 [0,2,0,0,0,0|2,0,0]=4 11129 B10R0.75 CC(C)N(C)CCCCCO 2230a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 11130 B10R0.75 CC(C)N(C)CCCCCO 2230a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 11131 B10R0.75 CC(C)N(C)CCCCCO 269982a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 11132 B10R0.75 CC(C)N(C)CCCCCO 269982a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 11133 B10R0.75 CC(C)N(C)CCCCCO 269982a_200000211004_100000746330 [0,2,0,0,0,0|2,0,0]=4 11134 B10R0.75 CC(C)N(C)CCCCCO 34a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 11135 B10R0.75 CC(C)N([13CH3])CCCCCO 2230a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 11136 B10R0.75 CC(C)N([13CH3])CCCCCO 269982a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 11137 B10R0.75 CC(C)N([13CH3])CCCCCO 34a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 11138 B10R0.75 CC(C)[C@@H](N)COCCCF 34a_100011830312_100011934791 [0,2,0,0,0,0|2,0,0]=4 11139 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [0,2,0,0,0,0|2,0,0]=4 11140 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|0,0,2]=4 11141 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|0,0,2]=4 11142 B10R0.75 CC=CCNCC(O)C(C)C 2230a_100000759067_100000070051 [0,2,0,0,0,0|0,0,2]=4 11143 B10R0.75 CC=CCNCC(O)C(C)C 34a_100000759067_100000070051 [0,2,0,0,0,0|0,0,2]=4 11144 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|0,0,2]=4 11145 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|0,0,2]=4 11146 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|0,0,2]=4 11147 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|0,0,2]=4 11148 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|0,0,2]=4 11149 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|1,0,1]=4 11150 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [0,2,0,0,0,0|2,0,0]=4 11151 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [0,2,0,0,0,0|2,0,0]=4 11152 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [0,2,0,0,0,0|2,0,0]=4 11153 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|0,0,1]=3 11154 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|0,0,1]=3 11155 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [0,2,0,0,0,0|2,0,0]=4 11156 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [0,2,0,0,0,0|2,0,0]=4 11157 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [0,2,0,0,0,0|2,0,0]=4 11158 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|0,0,2]=4 11159 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|0,0,2]=4 11160 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|0,0,2]=4 11161 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|0,0,2]=4 11162 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|0,0,2]=4 11163 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|0,0,2]=4 11164 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|0,0,2]=4 11165 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|0,0,2]=4 11166 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|0,0,2]=4 11167 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|0,0,2]=4 11168 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|0,0,2]=4 11169 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|1,0,1]=4 11170 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [0,2,0,0,0,0|1,0,0]=3 11171 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|1,0,1]=4 11172 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|1,0,1]=4 11173 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,2,0,0,0,0|1,0,0]=3 11174 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|1,0,1]=4 11175 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|1,0,1]=4 11176 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|0,0,2]=4 11177 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|0,0,2]=4 11178 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,2,0,0,0,0|0,0,0]=2 11179 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,2,0,0,0,0|0,0,0]=2 11180 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|0,0,2]=4 11181 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|0,0,2]=4 11182 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|0,0,2]=4 11183 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|0,0,2]=4 11184 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|0,0,2]=4 11185 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|0,0,2]=4 11186 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|0,0,2]=4 11187 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|1,0,1]=4 11188 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|1,0,1]=4 11189 B10R0.75 CCCCOCN(C)C(C)C 269982a_200000211004_100011995733 [0,2,0,0,0,0|2,0,0]=4 11190 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,2,0,0,0,0|1,0,0]=3 11191 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|0,0,2]=4 11192 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|0,0,2]=4 11193 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|0,0,2]=4 11194 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,2,0,0,0,0|0,0,2]=4 11195 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,2,0,0,0,0|0,0,2]=4 11196 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|0,0,2]=4 11197 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|0,0,2]=4 11198 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [0,2,0,0,0,0|1,0,0]=3 11199 B10R0.75 CCCOCCN(C)C(C)C 269982a_200000211004_100011215938 [0,2,0,0,0,0|2,0,0]=4 11200 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|0,0,2]=4 11201 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|0,0,2]=4 11202 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|0,0,2]=4 11203 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|0,0,2]=4 11204 B10R0.75 CCOCCCN(C)C(C)C 269982a_200000211004_100012232248 [0,2,0,0,0,0|2,0,0]=4 11205 B10R0.75 CCOCCNC(C)C(C)C 2230a_100000211541_100011215890 [0,2,0,0,0,0|2,0,0]=4 11206 B10R0.75 CCOCCOC(C)C(C)C 7a_100000748068_100011215890 [0,2,0,0,0,0|2,0,0]=4 11207 B10R0.75 CCSCCNC(C)C(C)C 2230a_100000211541_100000757381 [0,2,0,0,0,0|2,0,0]=4 11208 B10R0.75 CCSCCOC(C)C(C)C 7a_100000748068_100000757381 [0,2,0,0,0,0|2,0,0]=4 11209 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|0,0,2]=4 11210 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|0,0,2]=4 11211 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|0,0,2]=4 11212 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|0,0,2]=4 11213 B10R0.75 COCCCCN(C)C(C)C 269982a_200000211004_100000730899 [0,2,0,0,0,0|2,0,0]=4 11214 B10R0.75 COCCCNC(C)C(C)C 2230a_100000211541_100000740836 [0,2,0,0,0,0|2,0,0]=4 11215 B10R0.75 COCCCOC(C)C(C)C 7a_100000748068_100000740836 [0,2,0,0,0,0|2,0,0]=4 11216 B10R0.75 COCCNCC(O)C(C)C 2230a_100000759067_100011201679 [0,2,0,0,0,0|1,0,0]=3 11217 B10R0.75 COCCNCC(O)C(C)C 34a_100000759067_100011201679 [0,2,0,0,0,0|1,0,0]=3 11218 B10R0.75 COCCOC[C@H](N)C(C)C 34a_100011830312_100011201679 [0,2,0,0,0,0|2,0,0]=4 11219 B10R0.75 CSCCNCC(O)C(C)C 2230a_100000759067_100000751147 [0,2,0,0,0,0|1,0,0]=3 11220 B10R0.75 CSCCNCC(O)C(C)C 34a_100000759067_100000212216 [0,2,0,0,0,0|1,0,0]=3 11221 B10R0.75 CSCCOC[C@H](N)C(C)C 34a_100011830312_100000212216 [0,2,0,0,0,0|2,0,0]=4 11222 B10R0.75 CSCOCCC(N)C(C)C 34a_100161115045_100011218213 [0,2,0,0,0,0|2,0,0]=4 11223 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|0,0,2]=4 11224 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|0,0,2]=4 11225 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|0,0,2]=4 11226 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|0,0,2]=4 11227 B10R0.5 CCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210326 [0,2,0,0,0,0|0,0,2]=4 11228 B10R0.5 CCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210326 [0,2,0,0,0,0|0,0,2]=4 11229 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,2,0,0,0,0|0,0,2]=4 11230 B10R0.5 CCCCCN(C)C(C)(C)C 269982a_100000223495_100000210625 [0,2,0,0,0,0|2,0,0]=4 11231 B10R0.5 CCCCCN(C)C(C)(C)C 269982a_100011215553_100000210215 [0,2,0,0,0,0|2,0,0]=4 11232 B10R0.5 CCCCNC(C)C(C)(C)O 269862a_100000102301_100000747739 [0,2,0,0,0,0|2,0,0]=4 11233 B10R0.5 CCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210211 [0,2,0,0,0,0|2,0,0]=4 11234 B10R0.5 CCCCN[C@H](C)C(C)(C)C 2230a_100025703359_100000210211 [0,2,0,0,0,0|2,0,0]=4 11235 B10R0.5 CCCNCC(O)C(F)(F)F 2230a_100000743304_100000210303 [0,2,0,0,0,0|2,0,0]=4 11236 B10R0.5 CCCNCC(O)C(F)(F)F 34a_100000743304_100000210303 [0,2,0,0,0,0|2,0,0]=4 11237 B10R0.5 CCCOCC(O)C(F)(F)F 34a_100000210258_100000185343 [0,2,0,0,0,0|2,0,0]=4 11238 B10R0.5 CCCSCC(O)C(F)(F)F 62a_100000185343_100000210303 [0,2,0,0,0,0|2,0,0]=4 11239 B10R0.5 CCCSCC(O)C(F)(F)F 62a_100000210303_100000185343 [0,2,0,0,0,0|2,0,0]=4 11240 B10R0.86 C#CC(OCCCC)C(C)C 34a_100011217124_100000210210 [0,2,0,0,0,0|2,0,0]=4 11241 B10R0.86 C#CC(OCCCC)C(C)C 7a_100011217124_100000210211 [0,2,0,0,0,0|2,0,0]=4 11242 B10R0.86 C=CC(OCCCC)C(C)C 34a_100000732651_100000210210 [0,2,0,0,0,0|2,0,0]=4 11243 B10R0.86 C=CC(OCCCC)C(C)C 7a_100000732651_100000210211 [0,2,0,0,0,0|2,0,0]=4 11244 B10R0.86 CC(C)C(CO)CNCCF 34a_100000692819_100011217306 [0,2,0,0,0,0|2,0,0]=4 11245 B10R0.86 CC(C)C(CO)CNCCO 34a_100000692819_100000211926 [0,2,0,0,0,0|2,0,0]=4 11246 B10R0.86 CC(C)[C@H](CO)NCCCF 2230a_100011830312_100011934791 [0,2,0,0,0,0|2,0,0]=4 11247 B10R0.86 CC(C)[C@H](CO)NCCCF 34a_100011830312_100011934791 [0,2,0,0,0,0|2,0,0]=4 11248 B10R0.86 CC(C)[C@H](CO)NCCCO 2230a_100011830312_100000230001 [0,2,0,0,0,0|2,0,0]=4 11249 B10R0.86 CC(C)[C@H](CO)NCCCO 34a_100011830312_100000230001 [0,2,0,0,0,0|2,0,0]=4 11250 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|0,0,1]=3 11251 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|0,0,1]=3 11252 B10R0.86 CCCCCC(CC)N(C)C 270004a_100102631434_100011215316 [0,2,0,0,0,0|1,0,0]=3 11253 B10R0.86 CCCCCC(OC)C(C)C 34a_200011216997_200000210301 [0,2,0,0,0,0|0,0,0]=2 11254 B10R0.86 CCCCCC(OC)C(C)C 7a_200011216997_200000210301 [0,2,0,0,0,0|0,0,0]=2 11255 B10R0.86 CCCCCC(O[13CH3])C(C)C 34a_200011216997_200025704644 [0,2,0,0,0,0|0,0,0]=2 11256 B10R0.86 CCCCCC(O[13CH3])C(C)C 7a_200011216997_200025704644 [0,2,0,0,0,0|0,0,0]=2 11257 B10R0.86 CCCCCN(CC)C(C)C 2230a_100000223497_100000210202 [0,2,0,0,0,0|2,0,0]=4 11258 B10R0.86 CCCCCN(CC)C(C)C 2230a_100000223864_100000210326 [0,2,0,0,0,0|2,0,0]=4 11259 B10R0.86 CCCCCN(CC)C(C)C 269982a_100000223497_100000204670 [0,2,0,0,0,0|2,0,0]=4 11260 B10R0.86 CCCCCN(CC)C(C)C 269982a_100000223864_100000210215 [0,2,0,0,0,0|2,0,0]=4 11261 B10R0.86 CCCCCN(CF)C(C)C 269982a_100000223497_100015361967 [0,2,0,0,0,0|2,0,0]=4 11262 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,2,0,0,0,0|1,0,1]=4 11263 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,2,0,0,0,0|1,0,1]=4 11264 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,2,0,0,0,0|1,0,1]=4 11265 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,2,0,0,0,0|1,0,1]=4 11266 B10R0.86 CCCCNC(CC)C(C)C 270004a_100000102301_100000210600 [0,2,0,0,0,0|2,0,0]=4 11267 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,2,0,0,0,0|2,0,0]=4 11268 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210211 [0,2,0,0,0,0|1,0,0]=3 11269 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210210 [0,2,0,0,0,0|1,0,0]=3 11270 B10R0.86 CCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210211 [0,2,0,0,0,0|1,0,0]=3 11271 B10R0.86 CCCCN[C@@H](CO)C(C)C 34a_100011830312_100000210210 [0,2,0,0,0,0|1,0,0]=3 11272 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,2,0,0,0,0|1,0,0]=3 11273 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210211 [0,2,0,0,0,0|1,0,0]=3 11274 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210210 [0,2,0,0,0,0|1,0,0]=3 11275 B10R0.86 CCCCOC(C#N)C(C)C 34a_100000748901_100000210210 [0,2,0,0,0,0|2,0,0]=4 11276 B10R0.86 CCCCOC(C#N)C(C)C 7a_100000748901_100000210211 [0,2,0,0,0,0|2,0,0]=4 11277 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,2,0,0,0,0|1,0,1]=4 11278 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,2,0,0,0,0|1,0,1]=4 11279 B10R0.86 CCCCOC(CC)C(C)C 34a_100011218073_100000210210 [0,2,0,0,0,0|2,0,0]=4 11280 B10R0.86 CCCCOC(CC)C(C)C 7a_100011218073_100000210211 [0,2,0,0,0,0|2,0,0]=4 11281 B10R0.86 CCCCOC(CN)C(C)C 34a_100000759067_100000210210 [0,2,0,0,0,0|2,0,0]=4 11282 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,2,0,0,0,0|1,0,1]=4 11283 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,2,0,0,0,0|1,0,1]=4 11284 B10R0.86 CCCNCC(CC)C(C)C 269862a_100020643023_100011214906 [0,2,0,0,0,0|2,0,0]=4 11285 B10R0.86 CCCNCC(CO)C(C)C 34a_100000692819_100000210303 [0,2,0,0,0,0|1,0,0]=3 11286 B10R0.86 CCCOCC(CC)C(C)C 34a_100011995916_100000210303 [0,2,0,0,0,0|2,0,0]=4 11287 B10R0.86 CCCOCC(CC)C(C)C 7a_100011995916_100000210303 [0,2,0,0,0,0|2,0,0]=4 11288 B10R0.86 CCCOCC(CN)C(C)C 34a_100000692819_100000210303 [0,2,0,0,0,0|2,0,0]=4 11289 B10R0.86 CCOCN[C@H](CC)C(=O)O 269956a_100000747097_100000739092 [0,2,0,0,0,0|2,0,0]=4 11290 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,2,0,0,0,0|2,0,0]=4 11291 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,2,0,0,0,0|2,0,0]=4 11292 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [0,2,0,0,0,0|2,0,0]=4 11293 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [0,2,0,0,0,0|2,0,0]=4 11294 B10R0.86 CC[C@H](NCCCF)[C@@H](C)O 2230a_100161114882_100011934791 [0,2,0,0,0,0|2,0,0]=4 11295 B10R0.86 CC[C@H](NCCCF)[C@@H](C)O 34a_100161114882_100011934791 [0,2,0,0,0,0|2,0,0]=4 11296 B10R0.86 CC[C@H](NCCCO)[C@@H](C)O 2230a_100161114882_100000230001 [0,2,0,0,0,0|2,0,0]=4 11297 B10R0.86 CC[C@H](NCCCO)[C@@H](C)O 34a_100161114882_100000230001 [0,2,0,0,0,0|2,0,0]=4 11298 B10R0.86 CC[C@H](NCCOC)[C@@H](C)O 2230a_100161114882_100011201679 [0,2,0,0,0,0|2,0,0]=4 11299 B10R0.86 CC[C@H](NCCOC)[C@@H](C)O 34a_100161114882_100011201679 [0,2,0,0,0,0|2,0,0]=4 11300 B10R0.86 CC[C@H](NCCSC)[C@@H](C)O 2230a_100161114882_100000751147 [0,2,0,0,0,0|2,0,0]=4 11301 B10R0.86 CC[C@H](NCCSC)[C@@H](C)O 34a_100161114882_100000212216 [0,2,0,0,0,0|2,0,0]=4 11302 B10R0.86 COCCN[C@@H](CO)C(C)C 2230a_100011830312_100011201679 [0,2,0,0,0,0|2,0,0]=4 11303 B10R0.86 COCCN[C@@H](CO)C(C)C 34a_100011830312_100011201679 [0,2,0,0,0,0|2,0,0]=4 11304 B10R0.86 COCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011201679 [0,2,0,0,0,0|2,0,0]=4 11305 B10R0.86 COCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011201679 [0,2,0,0,0,0|2,0,0]=4 11306 B10R0.86 CSCCN[C@@H](CO)C(C)C 2230a_100011830312_100000751147 [0,2,0,0,0,0|2,0,0]=4 11307 B10R0.86 CSCCN[C@@H](CO)C(C)C 34a_100011830312_100000212216 [0,2,0,0,0,0|2,0,0]=4 11308 B10R0.86 CSCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000751147 [0,2,0,0,0,0|2,0,0]=4 11309 B10R0.86 CSCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000212216 [0,2,0,0,0,0|2,0,0]=4 11310 B10R0.86 CSCNCC(CO)C(C)C 34a_100000692819_100011218213 [0,2,0,0,0,0|2,0,0]=4 11311 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCF 2230a_100015196842_100011934791 [0,2,0,0,0,0|2,0,0]=4 11312 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCF 34a_100015196842_100011934791 [0,2,0,0,0,0|2,0,0]=4 11313 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCO 2230a_100015196842_100000230001 [0,2,0,0,0,0|2,0,0]=4 11314 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCO 34a_100015196842_100000230001 [0,2,0,0,0,0|2,0,0]=4 11315 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 11316 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,0,0,1,0,0|2,0,0]=4 11317 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 11318 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [1,0,0,1,0,0|2,0,0]=4 11319 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [1,0,0,1,0,0|2,0,0]=4 11320 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [1,0,0,1,0,0|2,0,0]=4 11321 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [1,0,0,1,0,0|2,0,0]=4 11322 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [1,0,0,1,0,0|2,0,0]=4 11323 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|1,0,0]=3 11324 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|1,0,0]=3 11325 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|1,0,0]=3 11326 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|1,0,0]=3 11327 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|1,0,0]=3 11328 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,1,0,0|2,0,0]=4 11329 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,1,0,0|2,0,0]=4 11330 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,1,0,0|2,0,0]=4 11331 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,1,0,0|2,0,0]=4 11332 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,1,0,0|2,0,0]=4 11333 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,1,0,0|2,0,0]=4 11334 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [1,0,0,1,0,0|2,0,0]=4 11335 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,0,0,1,0,0|2,0,0]=4 11336 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,0,0,1,0,0|2,0,0]=4 11337 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,0,0,1,0,0|2,0,0]=4 11338 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,0,0,1,0,0|2,0,0]=4 11339 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,0,0,1,0,0|2,0,0]=4 11340 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,0,0,1,0,0|2,0,0]=4 11341 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,0,0,1,0,0|2,0,0]=4 11342 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,0,0,1,0,0|2,0,0]=4 11343 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,0,0,1,0,0|2,0,0]=4 11344 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,0]=3 11345 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,0]=3 11346 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,0]=3 11347 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|2,0,0]=4 11348 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|2,0,0]=4 11349 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|2,0,0]=4 11350 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|2,0,0]=4 11351 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,1,0,0|2,0,0]=4 11352 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 11353 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,1,0,0|2,0,0]=4 11354 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 11355 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,0]=3 11356 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,0]=3 11357 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|2,0,0]=4 11358 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,1,0,0|2,0,0]=4 11359 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,1,0,0|2,0,0]=4 11360 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|1,0,0]=3 11361 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|1,0,0]=3 11362 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,1,0,0|2,0,0]=4 11363 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,1,0,0|2,0,0]=4 11364 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,0,0,1,0,0|2,0,0]=4 11365 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,0,0,1,0,0|2,0,0]=4 11366 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,0,0,1,0,0|2,0,0]=4 11367 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,0,0,1,0,0|2,0,0]=4 11368 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,0]=3 11369 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,0]=3 11370 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|2,0,0]=4 11371 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|2,0,0]=4 11372 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|2,0,0]=4 11373 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,1,0,0|2,0,0]=4 11374 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 11375 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 11376 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,0]=3 11377 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,0]=3 11378 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|2,0,0]=4 11379 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,1,0,0|2,0,0]=4 11380 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,1,0,0|2,0,0]=4 11381 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 11382 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 11383 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 11384 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 11385 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 11386 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 11387 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 11388 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 11389 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 11390 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 11391 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 11392 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 11393 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,1,0,0|1,0,0]=3 11394 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,1,0,0|1,0,0]=3 11395 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 11396 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 11397 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,1,0,0|1,0,0]=3 11398 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,1,0,0|1,0,0]=3 11399 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,1,0,0|1,0,0]=3 11400 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,1,0,0|1,0,0]=3 11401 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [1,0,0,1,0,0|2,0,0]=4 11402 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [1,0,0,1,0,0|2,0,0]=4 11403 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [1,0,0,1,0,0|2,0,0]=4 11404 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [1,0,0,1,0,0|2,0,0]=4 11405 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 11406 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 11407 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,0]=3 11408 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,0]=3 11409 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,0]=3 11410 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|2,0,0]=4 11411 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|2,0,0]=4 11412 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [1,0,0,1,0,0|2,0,0]=4 11413 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|2,0,0]=4 11414 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,1,0,0|1,0,0]=3 11415 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,1,0,0|1,0,0]=3 11416 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [1,0,0,1,0,0|2,0,0]=4 11417 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|1,0,0]=3 11418 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|1,0,0]=3 11419 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|1,0,0]=3 11420 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|1,0,0]=3 11421 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|1,0,0]=3 11422 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|1,0,0]=3 11423 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,1,0,0|2,0,0]=4 11424 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,1,0,0|2,0,0]=4 11425 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|2,0,0]=4 11426 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|2,0,0]=4 11427 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|2,0,0]=4 11428 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|2,0,0]=4 11429 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|2,0,0]=4 11430 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,1,0,0|2,0,0]=4 11431 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,1,0,0|2,0,0]=4 11432 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|1,0,0]=3 11433 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|1,0,0]=3 11434 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|1,0,0]=3 11435 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|2,0,0]=4 11436 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|2,0,0]=4 11437 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,0,0,1,0,0|2,0,0]=4 11438 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|2,0,0]=4 11439 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|2,0,0]=4 11440 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [1,0,0,1,0,0|2,0,0]=4 11441 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [1,0,0,1,0,0|2,0,0]=4 11442 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 11443 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,0]=3 11444 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,0]=3 11445 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|2,0,0]=4 11446 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|2,0,0]=4 11447 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|2,0,0]=4 11448 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|2,0,0]=4 11449 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [1,0,0,1,0,0|2,0,0]=4 11450 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [1,0,0,1,0,0|2,0,0]=4 11451 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [1,0,0,1,0,0|2,0,0]=4 11452 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [1,0,0,1,0,0|2,0,0]=4 11453 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [1,0,0,1,0,0|2,0,0]=4 11454 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 11455 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 11456 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [1,0,0,1,0,0|2,0,0]=4 11457 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [1,0,0,1,0,0|2,0,0]=4 11458 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [1,0,0,1,0,0|2,0,0]=4 11459 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [1,0,0,1,0,0|2,0,0]=4 11460 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|1,0,0]=3 11461 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|1,0,0]=3 11462 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|2,0,0]=4 11463 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|2,0,0]=4 11464 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,1,0,0|2,0,0]=4 11465 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,1,0,0|2,0,0]=4 11466 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|1,0,0]=3 11467 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|1,0,0]=3 11468 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|2,0,0]=4 11469 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|2,0,0]=4 11470 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,0,0,1,0,0|2,0,0]=4 11471 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|2,0,0]=4 11472 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 11473 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,0]=3 11474 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,0]=3 11475 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|2,0,0]=4 11476 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|2,0,0]=4 11477 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|2,0,0]=4 11478 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|2,0,0]=4 11479 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 11480 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 11481 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [1,0,0,1,0,0|2,0,0]=4 11482 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [1,0,0,1,0,0|2,0,0]=4 11483 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [1,0,0,1,0,0|2,0,0]=4 11484 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,0]=3 11485 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,0]=3 11486 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [1,0,0,1,0,0|2,0,0]=4 11487 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [1,0,0,1,0,0|1,0,0]=3 11488 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [1,0,0,1,0,0|1,0,0]=3 11489 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [1,0,0,1,0,0|1,0,0]=3 11490 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [1,0,0,1,0,0|1,0,0]=3 11491 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [1,0,0,1,0,0|2,0,0]=4 11492 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [1,0,0,1,0,0|1,0,0]=3 11493 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [1,0,0,1,0,0|1,0,0]=3 11494 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [1,0,0,1,0,0|2,0,0]=4 11495 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [1,0,0,1,0,0|2,0,0]=4 11496 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [1,0,0,1,0,0|1,0,0]=3 11497 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [1,0,0,1,0,0|2,0,0]=4 11498 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,1,0,0|1,0,0]=3 11499 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,1,0,0|1,0,0]=3 11500 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,1,0,0|1,0,0]=3 11501 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,1,0,0|1,0,0]=3 11502 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [1,0,0,1,0,0|2,0,0]=4 11503 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 11504 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [1,0,0,1,0,0|2,0,0]=4 11505 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 11506 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [1,0,0,1,0,0|2,0,0]=4 11507 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [1,0,0,1,0,0|2,0,0]=4 11508 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|1,0,0]=3 11509 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|1,0,0]=3 11510 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [1,0,0,1,0,0|2,0,0]=4 11511 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [1,0,0,1,0,0|2,0,0]=4 11512 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [1,0,0,1,0,0|2,0,0]=4 11513 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|2,0,0]=4 11514 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|2,0,0]=4 11515 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [1,0,0,1,0,0|2,0,0]=4 11516 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,1,0,0|1,0,0]=3 11517 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,1,0,0|1,0,0]=3 11518 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [1,0,0,1,0,0|2,0,0]=4 11519 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [1,0,0,1,0,0|2,0,0]=4 11520 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [1,0,0,1,0,0|2,0,0]=4 11521 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [1,0,0,1,0,0|2,0,0]=4 11522 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [1,0,0,1,0,0|2,0,0]=4 11523 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [1,0,0,1,0,0|2,0,0]=4 11524 B8R1.10 COCNC1CCC1 2230a_100000749019_100000766300 [1,0,0,1,0,0|2,0,0]=4 11525 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [1,0,0,1,0,0|2,0,0]=4 11526 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [1,0,0,1,0,0|2,0,0]=4 11527 B8R1.10 CSCNC1CCC1 2230a_100000749019_100011218213 [1,0,0,1,0,0|2,0,0]=4 11528 B8R1.10 CSCNC1CCC1 34a_100000749019_100011218213 [1,0,0,1,0,0|2,0,0]=4 11529 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [1,0,0,1,0,0|2,0,0]=4 11530 B8R1.10 CSCSC1CCC1 62a_100011218213_100000749161 [1,0,0,1,0,0|2,0,0]=4 11531 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [1,0,0,1,0,0|2,0,0]=4 11532 B8R1.10 FCCNC1CCC1 2230a_100000749019_100011217306 [1,0,0,1,0,0|2,0,0]=4 11533 B8R1.10 FCCNC1CCC1 34a_100000724931_100000749161 [1,0,0,1,0,0|2,0,0]=4 11534 B8R1.10 FCCNC1CCC1 34a_100000749019_100011217306 [1,0,0,1,0,0|2,0,0]=4 11535 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [1,0,0,1,0,0|2,0,0]=4 11536 B8R1.10 FCCSC1CCC1 62a_100011217306_100000749161 [1,0,0,1,0,0|2,0,0]=4 11537 B8R1.10 FCNCC1CCC1 34a_100000738700_100015361967 [1,0,0,1,0,0|2,0,0]=4 11538 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [1,0,0,1,0,0|2,0,0]=4 11539 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [1,0,0,1,0,0|2,0,0]=4 11540 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [1,0,0,1,0,0|2,0,0]=4 11541 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [1,0,0,1,0,0|2,0,0]=4 11542 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [1,0,0,1,0,0|2,0,0]=4 11543 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [1,0,0,1,0,0|2,0,0]=4 11544 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [1,0,0,1,0,0|2,0,0]=4 11545 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [1,0,0,1,0,0|2,0,0]=4 11546 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [1,0,0,1,0,0|2,0,0]=4 11547 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [1,0,0,1,0,0|2,0,0]=4 11548 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [1,0,0,1,0,0|2,0,0]=4 11549 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [1,0,0,1,0,0|2,0,0]=4 11550 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,0]=3 11551 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,0]=3 11552 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 11553 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 11554 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 11555 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 11556 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 11557 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 11558 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [1,0,0,1,0,0|1,0,0]=3 11559 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [1,0,0,1,0,0|1,0,0]=3 11560 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [1,0,0,1,0,0|1,0,0]=3 11561 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [1,0,0,1,0,0|1,0,0]=3 11562 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [1,0,0,1,0,0|1,0,0]=3 11563 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [1,0,0,1,0,0|2,0,0]=4 11564 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [1,0,0,1,0,0|2,0,0]=4 11565 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [1,0,0,1,0,0|2,0,0]=4 11566 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 11567 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 11568 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 11569 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|1,0,0]=3 11570 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [1,0,0,1,0,0|2,0,0]=4 11571 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,0]=3 11572 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,0]=3 11573 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [1,0,0,1,0,0|2,0,0]=4 11574 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,0,0,1,0,0|2,0,0]=4 11575 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [1,0,0,1,0,0|2,0,0]=4 11576 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,0,0,1,0,0|2,0,0]=4 11577 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,0,0,1,0,0|2,0,0]=4 11578 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 11579 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 11580 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [1,0,0,1,0,0|2,0,0]=4 11581 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [1,0,0,1,0,0|2,0,0]=4 11582 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 11583 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 11584 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 11585 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [1,0,0,1,0,0|2,0,0]=4 11586 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,0,0,1,0,0|2,0,0]=4 11587 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,0,0,1,0,0|2,0,0]=4 11588 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,0,0,1,0,0|2,0,0]=4 11589 B8R1.13 CC1CCN1CCF 269982a_100000755817_100011217306 [1,0,0,1,0,0|2,0,0]=4 11590 B8R1.13 CC1CCN1CCF 34a_100000755817_100011217306 [1,0,0,1,0,0|2,0,0]=4 11591 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [1,0,0,1,0,0|2,0,0]=4 11592 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [1,0,0,1,0,0|2,0,0]=4 11593 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [1,0,0,1,0,0|1,0,0]=3 11594 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [1,0,0,1,0,0|1,0,0]=3 11595 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 11596 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 11597 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 11598 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 11599 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 11600 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 11601 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [1,0,0,1,0,0|2,0,0]=4 11602 B8R1.13 CSCN1CCC1C 269982a_100000755817_100011218213 [1,0,0,1,0,0|2,0,0]=4 11603 B8R1.13 CSCN1CCC1C 34a_100000755817_100011218213 [1,0,0,1,0,0|2,0,0]=4 11604 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 11605 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 11606 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 11607 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 11608 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 11609 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 11610 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 11611 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 11612 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 11613 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 11614 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 11615 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 11616 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [1,0,0,1,0,0|2,0,0]=4 11617 B8R1.36 BrCCOCC1CC1 34a_100000211926_100000742324 [1,0,0,1,0,0|2,0,0]=4 11618 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [1,0,0,1,0,0|1,0,0]=3 11619 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|1,0,0]=3 11620 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [1,0,0,1,0,0|1,0,0]=3 11621 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [1,0,0,1,0,0|1,0,0]=3 11622 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [1,0,0,1,0,0|1,0,0]=3 11623 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [1,0,0,1,0,0|1,0,0]=3 11624 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [1,0,0,1,0,0|1,0,0]=3 11625 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [1,0,0,1,0,0|1,0,0]=3 11626 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|2,0,0]=4 11627 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|2,0,0]=4 11628 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [1,0,0,1,0,0|1,0,0]=3 11629 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [1,0,0,1,0,0|1,0,0]=3 11630 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|2,0,0]=4 11631 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|2,0,0]=4 11632 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [1,0,0,1,0,0|2,0,0]=4 11633 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [1,0,0,1,0,0|2,0,0]=4 11634 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|2,0,0]=4 11635 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|2,0,0]=4 11636 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|1,0,0]=3 11637 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|1,0,0]=3 11638 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|2,0,0]=4 11639 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,0]=3 11640 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,0]=3 11641 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,0]=3 11642 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|2,0,0]=4 11643 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|2,0,0]=4 11644 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [1,0,0,1,0,0|2,0,0]=4 11645 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|1,0,0]=3 11646 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|1,0,0]=3 11647 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|2,0,0]=4 11648 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|2,0,0]=4 11649 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|2,0,0]=4 11650 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|2,0,0]=4 11651 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|2,0,0]=4 11652 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|2,0,0]=4 11653 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [1,0,0,1,0,0|2,0,0]=4 11654 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [1,0,0,1,0,0|2,0,0]=4 11655 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [1,0,0,1,0,0|2,0,0]=4 11656 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [1,0,0,1,0,0|2,0,0]=4 11657 B8R1.36 COCNCC1CC1 2230a_100000735609_100000766300 [1,0,0,1,0,0|2,0,0]=4 11658 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [1,0,0,1,0,0|2,0,0]=4 11659 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [1,0,0,1,0,0|2,0,0]=4 11660 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|2,0,0]=4 11661 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|2,0,0]=4 11662 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [1,0,0,1,0,0|2,0,0]=4 11663 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [1,0,0,1,0,0|2,0,0]=4 11664 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [1,0,0,1,0,0|2,0,0]=4 11665 B8R1.36 CSCNCC1CC1 2230a_100000735609_100011218213 [1,0,0,1,0,0|2,0,0]=4 11666 B8R1.36 CSCNCC1CC1 34a_100000735609_100011218213 [1,0,0,1,0,0|2,0,0]=4 11667 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [1,0,0,1,0,0|2,0,0]=4 11668 B8R1.36 CSCSCC1CC1 62a_100000756562_100011218213 [1,0,0,1,0,0|2,0,0]=4 11669 B8R1.36 CSCSCC1CC1 62a_100011218213_100000742324 [1,0,0,1,0,0|2,0,0]=4 11670 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [1,0,0,1,0,0|2,0,0]=4 11671 B8R1.36 FCCCNC1CC1 34a_100000212008_100011934791 [1,0,0,1,0,0|2,0,0]=4 11672 B8R1.36 FCCCNC1CC1 34a_100015189416_100000211595 [1,0,0,1,0,0|2,0,0]=4 11673 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [1,0,0,1,0,0|2,0,0]=4 11674 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [1,0,0,1,0,0|2,0,0]=4 11675 B8R1.36 FCCNCC1CC1 2230a_100000735609_100011217306 [1,0,0,1,0,0|2,0,0]=4 11676 B8R1.36 FCCNCC1CC1 269862a_100000724931_100000741477 [1,0,0,1,0,0|2,0,0]=4 11677 B8R1.36 FCCNCC1CC1 34a_100000724931_100000742324 [1,0,0,1,0,0|2,0,0]=4 11678 B8R1.36 FCCNCC1CC1 34a_100000735609_100011217306 [1,0,0,1,0,0|2,0,0]=4 11679 B8R1.36 FCCOCC1CC1 34a_100000211283_100011217306 [1,0,0,1,0,0|2,0,0]=4 11680 B8R1.36 FCCSCC1CC1 62a_100000756562_100011217306 [1,0,0,1,0,0|2,0,0]=4 11681 B8R1.36 FCCSCC1CC1 62a_100011217306_100000742324 [1,0,0,1,0,0|2,0,0]=4 11682 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [1,0,0,1,0,0|2,0,0]=4 11683 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 11684 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 11685 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [1,0,0,1,0,0|2,0,0]=4 11686 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [1,0,0,1,0,0|2,0,0]=4 11687 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [1,0,0,1,0,0|2,0,0]=4 11688 B8R1.36 NCCOCC1CC1 34a_100000210304_100000742324 [1,0,0,1,0,0|2,0,0]=4 11689 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [1,0,0,1,0,0|2,0,0]=4 11690 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [1,0,0,1,0,0|2,0,0]=4 11691 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [1,0,0,1,0,0|2,0,0]=4 11692 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [1,0,0,1,0,0|2,0,0]=4 11693 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [1,0,0,1,0,0|2,0,0]=4 11694 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [1,0,0,1,0,0|2,0,0]=4 11695 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [1,0,0,1,0,0|2,0,0]=4 11696 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [1,0,0,1,0,0|2,0,0]=4 11697 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [1,0,0,1,0,0|2,0,0]=4 11698 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [1,0,0,1,0,0|2,0,0]=4 11699 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [1,0,0,1,0,0|2,0,0]=4 11700 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|2,0,0]=4 11701 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|2,0,0]=4 11702 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,0,0,1,0,0|2,0,0]=4 11703 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [1,0,0,1,0,0|1,0,0]=3 11704 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [1,0,0,1,0,0|1,0,0]=3 11705 B8R1.1 CCN1CC[C@@H](C1)F 2230a_100015203821_100000210202 [1,0,0,1,0,0|2,0,0]=4 11706 B8R1.1 CCN1CC[C@@H](C1)F 269982a_100015203821_100000204670 [1,0,0,1,0,0|2,0,0]=4 11707 B8R1.1 CCN1CC[C@@H](C1)F 34a_100015203821_100000210202 [1,0,0,1,0,0|2,0,0]=4 11708 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [1,0,0,1,0,0|2,0,0]=4 11709 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [1,0,0,1,0,0|2,0,0]=4 11710 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [1,0,0,1,0,0|2,0,0]=4 11711 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [1,0,0,1,0,0|2,0,0]=4 11712 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [1,0,0,1,0,0|1,0,0]=3 11713 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [1,0,0,1,0,0|1,0,0]=3 11714 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,0,0,1,0,0|2,0,0]=4 11715 B8R1.1 OC1CCN(C1)CF 269982a_100011215560_100015361967 [1,0,0,1,0,0|2,0,0]=4 11716 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [1,0,0,1,0,0|1,0,0]=3 11717 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [1,0,0,1,0,0|2,0,0]=4 11718 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [1,0,0,1,0,0|2,0,0]=4 11719 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [1,0,0,1,0,0|2,0,0]=4 11720 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [1,0,0,1,0,0|2,0,0]=4 11721 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [1,0,0,1,0,0|2,0,0]=4 11722 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [1,0,0,1,0,0|2,0,0]=4 11723 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [1,0,0,1,0,0|2,0,0]=4 11724 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [1,0,0,1,0,0|2,0,0]=4 11725 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [1,0,0,1,0,0|2,0,0]=4 11726 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [1,0,0,1,0,0|1,0,0]=3 11727 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [1,0,0,1,0,0|1,0,0]=3 11728 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [1,0,0,1,0,0|2,0,0]=4 11729 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [1,0,0,1,0,0|2,0,0]=4 11730 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [1,0,0,1,0,0|2,0,0]=4 11731 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [1,0,0,1,0,0|1,0,0]=3 11732 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [1,0,0,1,0,0|1,0,0]=3 11733 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [1,0,0,1,0,0|2,0,0]=4 11734 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [1,0,0,1,0,0|2,0,0]=4 11735 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [1,0,0,1,0,0|2,0,0]=4 11736 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [1,0,0,1,0,0|2,0,0]=4 11737 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|0,0,2]=4 11738 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|0,0,2]=4 11739 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [1,0,0,1,0,0|2,0,0]=4 11740 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [1,0,0,1,0,0|2,0,0]=4 11741 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [1,0,0,1,0,0|2,0,0]=4 11742 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [1,0,0,1,0,0|2,0,0]=4 11743 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [1,0,0,1,0,0|2,0,0]=4 11744 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [1,0,0,1,0,0|2,0,0]=4 11745 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [1,0,0,1,0,0|2,0,0]=4 11746 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [1,0,0,1,0,0|2,0,0]=4 11747 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [1,0,0,1,0,0|2,0,0]=4 11748 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [1,0,0,1,0,0|2,0,0]=4 11749 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [1,0,0,1,0,0|2,0,0]=4 11750 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [1,0,0,1,0,0|2,0,0]=4 11751 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [1,0,0,1,0,0|2,0,0]=4 11752 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [1,0,0,1,0,0|2,0,0]=4 11753 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|0,0,2]=4 11754 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|0,0,2]=4 11755 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [1,0,0,1,0,0|2,0,0]=4 11756 B8R1.40 CCC(C)SC1CC1 62a_100000758301_100000211595 [1,0,0,1,0,0|2,0,0]=4 11757 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [1,0,0,1,0,0|2,0,0]=4 11758 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [1,0,0,1,0,0|2,0,0]=4 11759 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [1,0,0,1,0,0|2,0,0]=4 11760 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [1,0,0,1,0,0|2,0,0]=4 11761 B8R1.40 CNC(C)CC1CC1 270004a_106832991635_200000686933 [1,0,0,1,0,0|2,0,0]=4 11762 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [1,0,0,1,0,0|2,0,0]=4 11763 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [1,0,0,1,0,0|2,0,0]=4 11764 B8R1.41 CCNCC1(CC1)C 2230a_100000766693_100000210202 [1,0,0,1,0,0|2,0,0]=4 11765 B8R1.41 CCNCC1(CC1)O 2230a_100011936951_100000210202 [1,0,0,1,0,0|1,0,0]=3 11766 B8R1.41 CCOCC1(CC1)C 7a_100000698024_100000210202 [1,0,0,1,0,0|2,0,0]=4 11767 B8R1.41 CCOCC1(CC1)F 34a_200000703853_100000210202 [1,0,0,1,0,0|2,0,0]=4 11768 B8R1.41 CCOCC1(CC1)F 7a_200000703853_100000210202 [1,0,0,1,0,0|2,0,0]=4 11769 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [1,0,0,1,0,0|1,0,0]=3 11770 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [1,0,0,1,0,0|1,0,0]=3 11771 B8R1.46 C[C@H]1[C@H](CN1CF)O 269982a_206633788156_100015361967 [1,0,0,1,0,0|2,0,0]=4 11772 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [1,0,0,1,0,0|2,0,0]=4 11773 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [1,0,0,1,0,0|2,0,0]=4 11774 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [1,0,0,1,0,0|2,0,0]=4 11775 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [1,0,0,1,0,0|2,0,0]=4 11776 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [1,0,0,1,0,0|2,0,0]=4 11777 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [1,0,0,1,0,0|2,0,0]=4 11778 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [1,0,0,1,0,0|2,0,0]=4 11779 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [1,0,0,1,0,0|2,0,0]=4 11780 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [1,0,0,1,0,0|2,0,0]=4 11781 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [1,0,0,1,0,0|2,0,0]=4 11782 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [1,0,0,1,0,0|2,0,0]=4 11783 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [1,0,0,1,0,0|2,0,0]=4 11784 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|0,0,2]=4 11785 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [1,0,0,1,0,0|2,0,0]=4 11786 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [1,0,0,1,0,0|2,0,0]=4 11787 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [1,0,0,1,0,0|2,0,0]=4 11788 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [1,0,0,1,0,0|1,0,0]=3 11789 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [1,0,0,1,0,0|1,0,0]=3 11790 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [1,0,0,1,0,0|2,0,0]=4 11791 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [1,0,0,1,0,0|2,0,0]=4 11792 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 11793 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 11794 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 11795 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 11796 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 11797 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 11798 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [1,0,0,1,0,0|2,0,0]=4 11799 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [1,0,0,1,0,0|2,0,0]=4 11800 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [1,0,0,1,0,0|2,0,0]=4 11801 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [1,0,0,1,0,0|1,0,0]=3 11802 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [1,0,0,1,0,0|1,0,0]=3 11803 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [1,0,0,1,0,0|2,0,0]=4 11804 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [1,0,0,1,0,0|2,0,0]=4 11805 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 11806 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 11807 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 11808 B8R1.6 CCCN1CC(C1)F 2230a_100000690557_100000210303 [1,0,0,1,0,0|2,0,0]=4 11809 B8R1.6 CCCN1CC(C1)F 269982a_100000690557_100000210303 [1,0,0,1,0,0|2,0,0]=4 11810 B8R1.6 CCCN1CC(C1)F 34a_100000690557_100000210303 [1,0,0,1,0,0|2,0,0]=4 11811 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [1,0,0,1,0,0|1,0,0]=3 11812 B8R1.6 CCNC1CC(C1)F 2230a_100016993743_100000210202 [1,0,0,1,0,0|2,0,0]=4 11813 B8R1.6 CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210202 [1,0,0,1,0,0|1,0,0]=3 11814 B8R1.6 CNCC1CC(C1)O 2230a_100016992100_200000210301 [1,0,0,1,0,0|1,0,0]=3 11815 B8R1.6 COCC1CC(C1)Cl 34a_100009874164_200000210301 [1,0,0,1,0,0|2,0,0]=4 11816 B8R1.6 COCN1CC(C1)O 269982a_100000749847_100000766300 [1,0,0,1,0,0|2,0,0]=4 11817 B8R1.6 CSCN1CC(C1)O 269982a_100000749847_100011218213 [1,0,0,1,0,0|2,0,0]=4 11818 B8R1.6 OC1CN(C1)CCF 269982a_100000749847_100011217306 [1,0,0,1,0,0|2,0,0]=4 11819 B8R1.6 OCCN1CC(C1)O 269982a_100000749847_100000211926 [1,0,0,1,0,0|2,0,0]=4 11820 B8R1.6 [13CH3]NCC1CC(C1)O 2230a_100016992100_200025704644 [1,0,0,1,0,0|1,0,0]=3 11821 B8R1.6 [13CH3]OCC1CC(C1)Cl 34a_100009874164_200025704644 [1,0,0,1,0,0|2,0,0]=4 11822 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|0,0,2]=4 11823 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|0,0,2]=4 11824 B8R1.7 CC(C)N1CCCC1 2230a_100000188435_100000210206 [1,0,0,1,0,0|2,0,0]=4 11825 B8R1.7 CC(C)N1CCCC1 269982a_100000188435_100000210206 [1,0,0,1,0,0|2,0,0]=4 11826 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 11827 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [1,0,0,1,0,0|2,0,0]=4 11828 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 11829 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [1,0,0,1,0,0|2,0,0]=4 11830 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [1,0,0,1,0,0|2,0,0]=4 11831 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 11832 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 11833 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 11834 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 11835 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|0,0,2]=4 11836 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 11837 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 11838 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 11839 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 11840 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 11841 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 11842 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [1,0,0,1,0,0|2,0,0]=4 11843 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [1,0,0,1,0,0|2,0,0]=4 11844 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [1,0,0,1,0,0|2,0,0]=4 11845 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [1,0,0,1,0,0|2,0,0]=4 11846 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [1,0,0,1,0,0|2,0,0]=4 11847 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [1,0,0,1,0,0|2,0,0]=4 11848 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|0,0,2]=4 11849 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|0,0,2]=4 11850 B8R1.34 CC(C)CN1CCC1 269982a_100000754969_100000210624 [1,0,0,1,0,0|2,0,0]=4 11851 B8R1.34 CC(C)NC1CCC1 2230a_100000749019_100000210206 [1,0,0,1,0,0|2,0,0]=4 11852 B8R1.34 CC(C)NC1CCC1 34a_100000749019_100000210206 [1,0,0,1,0,0|2,0,0]=4 11853 B8R1.34 CC(C)NC1CCC1 34a_100138425928_100000749161 [1,0,0,1,0,0|2,0,0]=4 11854 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [1,0,0,1,0,0|2,0,0]=4 11855 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [1,0,0,1,0,0|2,0,0]=4 11856 B8R1.34 CC(C)SC1CCC1 62a_100000210206_100000749161 [1,0,0,1,0,0|2,0,0]=4 11857 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [1,0,0,1,0,0|1,0,0]=3 11858 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [1,0,0,1,0,0|2,0,0]=4 11859 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 11860 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [1,0,0,1,0,0|2,0,0]=4 11861 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 11862 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 11863 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 11864 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 11865 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 11866 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [1,0,0,1,0,0|1,0,0]=3 11867 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|0,0,2]=4 11868 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|0,0,2]=4 11869 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|0,0,2]=4 11870 B8R1.35 CC(Br)COC1CC1 34a_100012180447_100000211595 [1,0,0,1,0,0|2,0,0]=4 11871 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [1,0,0,1,0,0|2,0,0]=4 11872 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [1,0,0,1,0,0|2,0,0]=4 11873 B8R1.35 CC(C)COC1CC1 34a_100000210257_100000211595 [1,0,0,1,0,0|2,0,0]=4 11874 B8R1.35 CC(C)CSC1CC1 62a_100000210624_100000211595 [1,0,0,1,0,0|2,0,0]=4 11875 B8R1.35 CC(C)NCC1CC1 2230a_100000735609_100000210206 [1,0,0,1,0,0|2,0,0]=4 11876 B8R1.35 CC(C)NCC1CC1 2230a_100138425928_100000742324 [1,0,0,1,0,0|2,0,0]=4 11877 B8R1.35 CC(C)NCC1CC1 34a_100000735609_100000210206 [1,0,0,1,0,0|2,0,0]=4 11878 B8R1.35 CC(C)NCC1CC1 34a_100138425928_100000742324 [1,0,0,1,0,0|2,0,0]=4 11879 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [1,0,0,1,0,0|2,0,0]=4 11880 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [1,0,0,1,0,0|2,0,0]=4 11881 B8R1.35 CC(C)SCC1CC1 62a_100000210206_100000742324 [1,0,0,1,0,0|2,0,0]=4 11882 B8R1.35 CC(C)SCC1CC1 62a_100000756562_100000210206 [1,0,0,1,0,0|2,0,0]=4 11883 B8R1.35 CC(F)COC1CC1 34a_100015925927_100000211595 [1,0,0,1,0,0|2,0,0]=4 11884 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [1,0,0,1,0,0|1,0,0]=3 11885 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [1,0,0,1,0,0|1,0,0]=3 11886 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [1,0,0,1,0,0|1,0,0]=3 11887 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [1,0,0,1,0,0|2,0,0]=4 11888 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [1,0,0,1,0,0|2,0,0]=4 11889 B8R1.35 C[C@@H](Cl)COC1CC1 34a_100016084084_100000211595 [1,0,0,1,0,0|2,0,0]=4 11890 B8R1.35 C[C@@H](N)COC1CC1 34a_100000737577_100000211595 [1,0,0,1,0,0|2,0,0]=4 11891 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [1,0,0,1,0,0|1,0,0]=3 11892 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [1,0,0,1,0,0|1,0,0]=3 11893 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|0,0,2]=4 11894 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|0,0,2]=4 11895 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|0,0,2]=4 11896 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|1,0,1]=4 11897 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|0,0,1]=3 11898 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,1,0,0|1,0,1]=4 11899 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,1,0,0|1,0,1]=4 11900 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|1,0,1]=4 11901 B10R1.13 CC(C)C1CCN(CC1)C 2230a_100000762885_200000210301 [0,1,0,1,0,0|2,0,0]=4 11902 B10R1.13 CC(C)C1CCN(CC1)C 269982a_100000762885_200000210301 [0,1,0,1,0,0|2,0,0]=4 11903 B10R1.13 CC(C)C1CCN(CC1)C 34a_100000762885_200000210301 [0,1,0,1,0,0|2,0,0]=4 11904 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 2230a_100000762885_200025704644 [0,1,0,1,0,0|2,0,0]=4 11905 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 269982a_100000762885_200025704644 [0,1,0,1,0,0|2,0,0]=4 11906 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 34a_100000762885_200025704644 [0,1,0,1,0,0|2,0,0]=4 11907 B10R1.13 CC(C)N1CCC(CC1)F 2230a_100015193889_100000210206 [0,1,0,1,0,0|2,0,0]=4 11908 B10R1.13 CC(C)N1CCC(CC1)F 269982a_100015193889_100000210206 [0,1,0,1,0,0|2,0,0]=4 11909 B10R1.13 CC(C)N1CCC(CC1)F 34a_100015193889_100000210206 [0,1,0,1,0,0|2,0,0]=4 11910 B10R1.13 CC(C)N1CCC(CC1)O 2230a_100025773856_100000210206 [0,1,0,1,0,0|1,0,0]=3 11911 B10R1.13 CC(C)N1CCC(CC1)O 269982a_100025773856_100000210206 [0,1,0,1,0,0|1,0,0]=3 11912 B10R1.13 CC(O)C1CCN(CC1)C 2230a_100011728446_200000210301 [0,1,0,1,0,0|2,0,0]=4 11913 B10R1.13 CC(O)C1CCN(CC1)C 269982a_100011728446_200000210301 [0,1,0,1,0,0|2,0,0]=4 11914 B10R1.13 CC(O)C1CCN(CC1)C 34a_100011728446_200000210301 [0,1,0,1,0,0|2,0,0]=4 11915 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 2230a_100011728446_200025704644 [0,1,0,1,0,0|2,0,0]=4 11916 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 269982a_100011728446_200025704644 [0,1,0,1,0,0|2,0,0]=4 11917 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 34a_100011728446_200025704644 [0,1,0,1,0,0|2,0,0]=4 11918 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [0,1,0,1,0,0|2,0,0]=4 11919 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [0,1,0,1,0,0|2,0,0]=4 11920 B10R1.13 CC1CCN(CC1)C(C)C 2230a_100000188429_100000210206 [0,1,0,1,0,0|2,0,0]=4 11921 B10R1.13 CC1CCN(CC1)C(C)C 269982a_100000188429_100000210206 [0,1,0,1,0,0|2,0,0]=4 11922 B10R1.13 CC1CCN(CC1)C(C)C 34a_100000188429_100000210206 [0,1,0,1,0,0|2,0,0]=4 11923 B10R1.13 CN(C)C1CCC(CC1)O 270004a_100102631434_100000764474 [0,1,0,1,0,0|1,0,0]=3 11924 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_200000210301 [0,1,0,1,0,0|1,0,0]=3 11925 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_200000210301 [0,1,0,1,0,0|1,0,0]=3 11926 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 2230a_100020636401_200025704644 [0,1,0,1,0,0|1,0,0]=3 11927 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 269982a_100020636401_200025704644 [0,1,0,1,0,0|1,0,0]=3 11928 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|1,0,1]=4 11929 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|0,0,1]=3 11930 B10R1.14 CC(CO)N1CCC(C1)O 2230a_100011215560_100012180447 [0,1,0,1,0,0|2,0,0]=4 11931 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|0,0,1]=3 11932 B10R1.14 CCC(=O)N1CCC(C1)O 240690a_100011215560_100000210414 [0,1,0,1,0,0|1,0,1]=4 11933 B10R1.14 CCC(=O)N1CCC(C1)O 527a_100011215560_100000210414 [0,1,0,1,0,0|1,0,1]=4 11934 B10R1.14 CCC(C)N1CCC(C1)O 2230a_100011215560_100000758301 [0,1,0,1,0,0|1,0,0]=3 11935 B10R1.14 CCC(C)N1CCC(C1)O 269982a_100011215560_100000758301 [0,1,0,1,0,0|1,0,0]=3 11936 B10R1.14 CCC(C)N1CC[C@@H](C1)F 2230a_100015203821_100000758301 [0,1,0,1,0,0|2,0,0]=4 11937 B10R1.14 CCC(C)N1CC[C@@H](C1)F 269982a_100015203821_100000758301 [0,1,0,1,0,0|2,0,0]=4 11938 B10R1.14 CCC(C)N1CC[C@@H](C1)F 34a_100015203821_100011215416 [0,1,0,1,0,0|2,0,0]=4 11939 B10R1.14 CCC(C)N1CC[C@H](C1)C 2230a_100016987628_100000758301 [0,1,0,1,0,0|2,0,0]=4 11940 B10R1.14 CCC(C)N1CC[C@H](C1)C 269982a_100016987628_100000758301 [0,1,0,1,0,0|2,0,0]=4 11941 B10R1.14 CCC(C)N1CC[C@H](C1)C 34a_100016987628_100011215416 [0,1,0,1,0,0|2,0,0]=4 11942 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|1,0,1]=4 11943 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|1,0,1]=4 11944 B10R1.14 COC(C)N1CCC(C1)O 269982a_100011215560_100009879195 [0,1,0,1,0,0|2,0,0]=4 11945 B10R1.14 C[C@H](CO)N1CCC(C1)O 269982a_100011215560_100016084084 [0,1,0,1,0,0|2,0,0]=4 11946 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,1,0,0|1,0,1]=4 11947 B10R1.31 CCC1CCC(C1)N(C)C 270004a_100102631434_100011218773 [0,1,0,1,0,0|2,0,0]=4 11948 B10R1.54 C=C(C)CN1CCC(C1)O 2230a_100011215560_100000748629 [0,1,0,1,0,0|1,0,1]=4 11949 B10R1.54 C=C(C)CN1CCC(C1)O 269982a_100011215560_100000748629 [0,1,0,1,0,0|1,0,1]=4 11950 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,1,0,1,0,0|1,0,1]=4 11951 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,1,0,1,0,0|1,0,1]=4 11952 B10R1.54 CC(C)CN1CCC(C1)O 2230a_100011215560_100000210760 [0,1,0,1,0,0|1,0,0]=3 11953 B10R1.54 CC(C)CN1CCC(C1)O 269982a_100011215560_100000210624 [0,1,0,1,0,0|1,0,0]=3 11954 B10R1.54 CC(C)CN1CCC(C1)O 270004a_100011215560_100000210432 [0,1,0,1,0,0|1,0,0]=3 11955 B10R1.54 CC(C)CN1CC[C@@H](C1)F 2230a_100015203821_100000210760 [0,1,0,1,0,0|2,0,0]=4 11956 B10R1.54 CC(C)CN1CC[C@@H](C1)F 269982a_100015203821_100000210624 [0,1,0,1,0,0|2,0,0]=4 11957 B10R1.54 CC(C)CN1CC[C@@H](C1)F 270004a_100015203821_100000210432 [0,1,0,1,0,0|2,0,0]=4 11958 B10R1.54 CC(C)CN1CC[C@@H](C1)F 34a_100015203821_100000210624 [0,1,0,1,0,0|2,0,0]=4 11959 B10R1.54 CC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000210760 [0,1,0,1,0,0|2,0,0]=4 11960 B10R1.54 CC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000210624 [0,1,0,1,0,0|2,0,0]=4 11961 B10R1.54 CC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000210432 [0,1,0,1,0,0|2,0,0]=4 11962 B10R1.54 CC(C)CN1CC[C@H](C1)C 34a_100016987628_100000210624 [0,1,0,1,0,0|2,0,0]=4 11963 B10R1.54 CC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210206 [0,1,0,1,0,0|1,0,0]=3 11964 B10R1.54 CC(O)CN1CCC(C1)O 2230a_100011215560_100011218427 [0,1,0,1,0,0|1,0,0]=3 11965 B10R1.54 CC(O)CN1CCC(C1)O 269982a_100011215560_100011218427 [0,1,0,1,0,0|1,0,0]=3 11966 B10R1.54 CC(O)CN1CC[C@@H](C1)F 2230a_100015203821_100011218427 [0,1,0,1,0,0|2,0,0]=4 11967 B10R1.54 CC(O)CN1CC[C@@H](C1)F 269982a_100015203821_100011218427 [0,1,0,1,0,0|2,0,0]=4 11968 B10R1.54 CC(O)CN1CC[C@@H](C1)F 34a_100015203821_100011218427 [0,1,0,1,0,0|2,0,0]=4 11969 B10R1.54 CC(O)CN1CC[C@H](C1)C 2230a_100016987628_100011218427 [0,1,0,1,0,0|2,0,0]=4 11970 B10R1.54 CC(O)CN1CC[C@H](C1)C 269982a_100016987628_100011218427 [0,1,0,1,0,0|2,0,0]=4 11971 B10R1.54 CC(O)CN1CC[C@H](C1)C 34a_100016987628_100011218427 [0,1,0,1,0,0|2,0,0]=4 11972 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [0,1,0,1,0,0|2,0,0]=4 11973 B10R1.54 C[C@@H](O)CN1CCC(C1)O 2230a_100011215560_100009817552 [0,1,0,1,0,0|1,0,0]=3 11974 B10R1.54 C[C@@H](O)CN1CCC(C1)O 269982a_100011215560_100009817552 [0,1,0,1,0,0|1,0,0]=3 11975 B10R1.54 C[C@@H](O)CN1CC[C@@H](C1)F 2230a_100015203821_100009817552 [0,1,0,1,0,0|2,0,0]=4 11976 B10R1.54 C[C@@H](O)CN1CC[C@@H](C1)F 269982a_100015203821_100009817552 [0,1,0,1,0,0|2,0,0]=4 11977 B10R1.54 C[C@@H](O)CN1CC[C@@H](C1)F 34a_100015203821_100009817552 [0,1,0,1,0,0|2,0,0]=4 11978 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 2230a_100016987628_100009817552 [0,1,0,1,0,0|2,0,0]=4 11979 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 269982a_100016987628_100009817552 [0,1,0,1,0,0|2,0,0]=4 11980 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 34a_100016987628_100009817552 [0,1,0,1,0,0|2,0,0]=4 11981 B10R1.54 OC1CCN(C1)CC(F)F 2230a_100011215560_100011934356 [0,1,0,1,0,0|2,0,0]=4 11982 B10R1.54 OC1CCN(C1)CC(F)F 269982a_100011215560_100011934356 [0,1,0,1,0,0|2,0,0]=4 11983 B10R1.73 CC(C)COCC1CC1C 34a_100000744939_100000210624 [0,1,0,1,0,0|2,0,0]=4 11984 B10R1.73 CC(C)COCC1CC1C 7a_100000744939_100000210760 [0,1,0,1,0,0|2,0,0]=4 11985 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,1,0,1,0,0|2,0,0]=4 11986 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,1,0,1,0,0|2,0,0]=4 11987 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,1,0,1,0,0|2,0,0]=4 11988 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,1,0,1,0,0|2,0,0]=4 11989 B10R1.80 C=C(C)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000748629 [0,1,0,1,0,0|1,0,1]=4 11990 B10R1.80 C=C(C)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000748629 [0,1,0,1,0,0|1,0,1]=4 11991 B10R1.80 CC(C)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210760 [0,1,0,1,0,0|1,0,0]=3 11992 B10R1.80 CC(C)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210624 [0,1,0,1,0,0|1,0,0]=3 11993 B10R1.80 CC(C)CN1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000210432 [0,1,0,1,0,0|1,0,0]=3 11994 B10R1.80 CC(O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011218427 [0,1,0,1,0,0|1,0,0]=3 11995 B10R1.80 CC(O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011218427 [0,1,0,1,0,0|1,0,0]=3 11996 B10R1.80 C[C@@H](O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009817552 [0,1,0,1,0,0|1,0,0]=3 11997 B10R1.80 C[C@@H](O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009817552 [0,1,0,1,0,0|1,0,0]=3 11998 B10R1.80 C[C@H]1[C@H](CN1CC(F)F)O 2230a_206633788156_100011934356 [0,1,0,1,0,0|2,0,0]=4 11999 B10R1.80 C[C@H]1[C@H](CN1CC(F)F)O 269982a_206633788156_100011934356 [0,1,0,1,0,0|2,0,0]=4 12000 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [0,1,0,1,0,0|2,0,0]=4 12001 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [0,1,0,1,0,0|2,0,0]=4 12002 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [0,1,0,1,0,0|2,0,0]=4 12003 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [0,1,0,1,0,0|2,0,0]=4 12004 B10R1.127 C=C(C)CNC[C@@H]1CCO1 2230a_100020831831_100000748629 [0,1,0,1,0,0|1,0,1]=4 12005 B10R1.127 C=C(C)CNC[C@@H]1CCO1 34a_100020831831_100000748629 [0,1,0,1,0,0|1,0,1]=4 12006 B10R1.127 C=C(C)COCC1CCO1 34a_100000039022_100000748629 [0,1,0,1,0,0|1,0,1]=4 12007 B10R1.127 C=C(C)COCC1CCO1 34a_100000210245_100000103362 [0,1,0,1,0,0|1,0,1]=4 12008 B10R1.127 C=C(C)CSCC1CCO1 62a_100000103362_100000211660 [0,1,0,1,0,0|1,0,1]=4 12009 B10R1.127 C=C(C)CSCC1CCO1 62a_100000748629_100000103362 [0,1,0,1,0,0|1,0,1]=4 12010 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|1,0,1]=4 12011 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [0,1,0,1,0,0|2,0,0]=4 12012 B10R1.127 CC(Br)COCC1CCC1 34a_100012180447_100000763275 [0,1,0,1,0,0|2,0,0]=4 12013 B10R1.127 CC(Br)COCC1CCO1 34a_100012180447_100000103362 [0,1,0,1,0,0|1,0,0]=3 12014 B10R1.127 CC(C)CCCN1CCC1 269982a_100000754969_100011214892 [0,1,0,1,0,0|2,0,0]=4 12015 B10R1.127 CC(C)CCNC1CCC1 2230a_100000749019_100000210312 [0,1,0,1,0,0|2,0,0]=4 12016 B10R1.127 CC(C)CCNC1CCC1 269862a_100000749019_100000185833 [0,1,0,1,0,0|2,0,0]=4 12017 B10R1.127 CC(C)CCNC1CCC1 270004a_100000210545_100000241760 [0,1,0,1,0,0|2,0,0]=4 12018 B10R1.127 CC(C)CCNC1CCC1 34a_100000749019_100000210312 [0,1,0,1,0,0|2,0,0]=4 12019 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [0,1,0,1,0,0|2,0,0]=4 12020 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [0,1,0,1,0,0|2,0,0]=4 12021 B10R1.127 CC(C)CCSC1CCC1 62a_100000210312_100000749161 [0,1,0,1,0,0|2,0,0]=4 12022 B10R1.127 CC(C)CNCC1CCC1 2230a_100000210953_100000763275 [0,1,0,1,0,0|2,0,0]=4 12023 B10R1.127 CC(C)CNCC1CCC1 2230a_100000738700_100000210760 [0,1,0,1,0,0|2,0,0]=4 12024 B10R1.127 CC(C)CNCC1CCC1 269862a_100000210953_100000753134 [0,1,0,1,0,0|2,0,0]=4 12025 B10R1.127 CC(C)CNCC1CCC1 270004a_100000738700_100000210432 [0,1,0,1,0,0|2,0,0]=4 12026 B10R1.127 CC(C)CNCC1CCC1 34a_100000210953_100000763275 [0,1,0,1,0,0|2,0,0]=4 12027 B10R1.127 CC(C)CNCC1CCC1 34a_100000738700_100000210624 [0,1,0,1,0,0|2,0,0]=4 12028 B10R1.127 CC(C)CNCC1CCO1 2230a_100000210953_100000103362 [0,1,0,1,0,0|1,0,0]=3 12029 B10R1.127 CC(C)CNCC1CCO1 34a_100000210953_100000103362 [0,1,0,1,0,0|1,0,0]=3 12030 B10R1.127 CC(C)CNC[C@@H]1CCO1 2230a_100020831831_100000210760 [0,1,0,1,0,0|1,0,0]=3 12031 B10R1.127 CC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000210432 [0,1,0,1,0,0|1,0,0]=3 12032 B10R1.127 CC(C)CNC[C@@H]1CCO1 34a_100020831831_100000210624 [0,1,0,1,0,0|1,0,0]=3 12033 B10R1.127 CC(C)COCC1CCC1 34a_100000210257_100000763275 [0,1,0,1,0,0|2,0,0]=4 12034 B10R1.127 CC(C)COCC1CCC1 34a_100000760304_100000210624 [0,1,0,1,0,0|2,0,0]=4 12035 B10R1.127 CC(C)COCC1CCO1 34a_100000039022_100000210624 [0,1,0,1,0,0|1,0,0]=3 12036 B10R1.127 CC(C)COCC1CCO1 34a_100000210257_100000103362 [0,1,0,1,0,0|1,0,0]=3 12037 B10R1.127 CC(C)CSCC1CCC1 62a_100000210624_100000763275 [0,1,0,1,0,0|2,0,0]=4 12038 B10R1.127 CC(C)CSCC1CCC1 62a_100000763275_100000210760 [0,1,0,1,0,0|2,0,0]=4 12039 B10R1.127 CC(C)CSCC1CCO1 62a_100000103362_100000210760 [0,1,0,1,0,0|1,0,0]=3 12040 B10R1.127 CC(C)CSCC1CCO1 62a_100000210624_100000103362 [0,1,0,1,0,0|1,0,0]=3 12041 B10R1.127 CC(F)COCC1CCC1 34a_100015925927_100000763275 [0,1,0,1,0,0|2,0,0]=4 12042 B10R1.127 CC(F)COCC1CCO1 34a_100015925927_100000103362 [0,1,0,1,0,0|1,0,0]=3 12043 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [0,1,0,1,0,0|2,0,0]=4 12044 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [0,1,0,1,0,0|2,0,0]=4 12045 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [0,1,0,1,0,0|2,0,0]=4 12046 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [0,1,0,1,0,0|2,0,0]=4 12047 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [0,1,0,1,0,0|2,0,0]=4 12048 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [0,1,0,1,0,0|2,0,0]=4 12049 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [0,1,0,1,0,0|2,0,0]=4 12050 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [0,1,0,1,0,0|2,0,0]=4 12051 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [0,1,0,1,0,0|2,0,0]=4 12052 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [0,1,0,1,0,0|2,0,0]=4 12053 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [0,1,0,1,0,0|2,0,0]=4 12054 B10R1.127 CC(O)CNCC1CCO1 2230a_100000210904_100000103362 [0,1,0,1,0,0|1,0,0]=3 12055 B10R1.127 CC(O)CNCC1CCO1 34a_100000210904_100000103362 [0,1,0,1,0,0|1,0,0]=3 12056 B10R1.127 CC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011218427 [0,1,0,1,0,0|1,0,0]=3 12057 B10R1.127 CC(O)CNC[C@@H]1CCO1 34a_100020831831_100011218427 [0,1,0,1,0,0|1,0,0]=3 12058 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [0,1,0,1,0,0|2,0,0]=4 12059 B10R1.127 CC(O)COCC1CCO1 34a_100000039022_100011218427 [0,1,0,1,0,0|1,0,0]=3 12060 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [0,1,0,1,0,0|2,0,0]=4 12061 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [0,1,0,1,0,0|2,0,0]=4 12062 B10R1.127 CC(O)CSCC1CCO1 62a_100000103362_100011218427 [0,1,0,1,0,0|1,0,0]=3 12063 B10R1.127 CC(O)CSCC1CCO1 62a_100011218427_100000103362 [0,1,0,1,0,0|1,0,0]=3 12064 B10R1.127 C[C@@H](Cl)COCC1CCC1 34a_100016084084_100000763275 [0,1,0,1,0,0|2,0,0]=4 12065 B10R1.127 C[C@@H](Cl)COCC1CCO1 34a_100016084084_100000103362 [0,1,0,1,0,0|1,0,0]=3 12066 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [0,1,0,1,0,0|2,0,0]=4 12067 B10R1.127 C[C@@H](N)COCC1CCC1 34a_100000737577_100000763275 [0,1,0,1,0,0|2,0,0]=4 12068 B10R1.127 C[C@@H](N)COCC1CCO1 34a_100000737577_100000103362 [0,1,0,1,0,0|1,0,0]=3 12069 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [0,1,0,1,0,0|2,0,0]=4 12070 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [0,1,0,1,0,0|2,0,0]=4 12071 B10R1.127 C[C@@H](O)CNC[C@@H]1CCO1 2230a_100020831831_100009817552 [0,1,0,1,0,0|1,0,0]=3 12072 B10R1.127 C[C@@H](O)CNC[C@@H]1CCO1 34a_100020831831_100009817552 [0,1,0,1,0,0|1,0,0]=3 12073 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [0,1,0,1,0,0|2,0,0]=4 12074 B10R1.127 C[C@@H](O)COCC1CCO1 34a_100000039022_100009817552 [0,1,0,1,0,0|1,0,0]=3 12075 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [0,1,0,1,0,0|2,0,0]=4 12076 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [0,1,0,1,0,0|2,0,0]=4 12077 B10R1.127 C[C@@H](O)CSCC1CCO1 62a_100000103362_100009817552 [0,1,0,1,0,0|1,0,0]=3 12078 B10R1.127 C[C@@H](O)CSCC1CCO1 62a_100009817552_100000103362 [0,1,0,1,0,0|1,0,0]=3 12079 B10R1.127 FC(F)CNCC1CCO1 34a_100000765723_100000103362 [0,1,0,1,0,0|2,0,0]=4 12080 B10R1.127 FC(F)CNC[C@@H]1CCO1 2230a_100020831831_100011934356 [0,1,0,1,0,0|2,0,0]=4 12081 B10R1.127 FC(F)CNC[C@@H]1CCO1 34a_100020831831_100011934356 [0,1,0,1,0,0|2,0,0]=4 12082 B10R1.127 FC(F)COCC1CCO1 34a_100000039022_100011934356 [0,1,0,1,0,0|2,0,0]=4 12083 B10R1.127 FC(F)COCC1CCO1 34a_100000743014_100000103362 [0,1,0,1,0,0|2,0,0]=4 12084 B10R1.127 FC(F)CSCC1CCO1 62a_100000103362_100011934356 [0,1,0,1,0,0|2,0,0]=4 12085 B10R1.127 FC(F)CSCC1CCO1 62a_100011934356_100000103362 [0,1,0,1,0,0|2,0,0]=4 12086 B10R1.150 CC1CN(C1)CC(O)CO 2230a_100000702820_100011219619 [0,1,0,1,0,0|2,0,0]=4 12087 B10R1.150 CC1CN(C1)CC(O)CO 34a_100000702820_100011219619 [0,1,0,1,0,0|2,0,0]=4 12088 B10R1.150 CC1CN(C1)C[C@@H](O)CF 2230a_100000702820_100015614560 [0,1,0,1,0,0|2,0,0]=4 12089 B10R1.150 CC1CN(C1)C[C@@H](O)CF 34a_100000702820_100015614560 [0,1,0,1,0,0|2,0,0]=4 12090 B10R1.150 CC1CN(C1)C[C@@H](O)CO 2230a_100000702820_100009815848 [0,1,0,1,0,0|2,0,0]=4 12091 B10R1.150 CC1CN(C1)C[C@@H](O)CO 34a_100000702820_100009815848 [0,1,0,1,0,0|2,0,0]=4 12092 B10R1.150 CCC(C)CN1CC(C1)C 2230a_100000702820_100000748023 [0,1,0,1,0,0|2,0,0]=4 12093 B10R1.150 CCC(C)CN1CC(C1)C 269982a_100000702820_100000748023 [0,1,0,1,0,0|2,0,0]=4 12094 B10R1.150 CCC(C)CN1CC(C1)C 270004a_100000702820_100000243153 [0,1,0,1,0,0|2,0,0]=4 12095 B10R1.150 CCC(C)CN1CC(C1)C 34a_100000702820_100000748023 [0,1,0,1,0,0|2,0,0]=4 12096 B10R1.150 CCC(C)CN1CC(C1)F 2230a_100000690557_100000748023 [0,1,0,1,0,0|2,0,0]=4 12097 B10R1.150 CCC(C)CN1CC(C1)F 269982a_100000690557_100000748023 [0,1,0,1,0,0|2,0,0]=4 12098 B10R1.150 CCC(C)CN1CC(C1)F 270004a_100000690557_100000243153 [0,1,0,1,0,0|2,0,0]=4 12099 B10R1.150 CCC(C)CN1CC(C1)F 34a_100000690557_100000748023 [0,1,0,1,0,0|2,0,0]=4 12100 B10R1.150 CCC(C)CN1CC(C1)O 269982a_100000749847_100000748023 [0,1,0,1,0,0|2,0,0]=4 12101 B10R1.150 CCC(C)NC1CC(C1)F 2230a_100016993743_100000758301 [0,1,0,1,0,0|2,0,0]=4 12102 B10R1.150 CCC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000758301 [0,1,0,1,0,0|2,0,0]=4 12103 B10R1.150 CCC(O)CN1CC(C1)C 2230a_100000702820_100011218378 [0,1,0,1,0,0|1,0,0]=3 12104 B10R1.150 CCC(O)CN1CC(C1)C 269982a_100000702820_100011218378 [0,1,0,1,0,0|1,0,0]=3 12105 B10R1.150 CCC(O)CN1CC(C1)C 34a_100000702820_100011218378 [0,1,0,1,0,0|1,0,0]=3 12106 B10R1.150 CCC(O)CN1CC(C1)F 2230a_100000690557_100011218378 [0,1,0,1,0,0|1,0,0]=3 12107 B10R1.150 CCC(O)CN1CC(C1)F 269982a_100000690557_100011218378 [0,1,0,1,0,0|1,0,0]=3 12108 B10R1.150 CCC(O)CN1CC(C1)F 34a_100000690557_100011218378 [0,1,0,1,0,0|1,0,0]=3 12109 B10R1.150 CCC(O)CN1CC(C1)O 269982a_100000749847_100011218378 [0,1,0,1,0,0|1,0,0]=3 12110 B10R1.150 CC[C@H](C)CN1CC(C1)C 2230a_100000702820_100009816398 [0,1,0,1,0,0|2,0,0]=4 12111 B10R1.150 CC[C@H](C)CN1CC(C1)C 269982a_100000702820_100009816398 [0,1,0,1,0,0|2,0,0]=4 12112 B10R1.150 CC[C@H](C)CN1CC(C1)C 34a_100000702820_100009816398 [0,1,0,1,0,0|2,0,0]=4 12113 B10R1.150 CC[C@H](C)CN1CC(C1)F 2230a_100000690557_100009816398 [0,1,0,1,0,0|2,0,0]=4 12114 B10R1.150 CC[C@H](C)CN1CC(C1)F 269982a_100000690557_100009816398 [0,1,0,1,0,0|2,0,0]=4 12115 B10R1.150 CC[C@H](C)CN1CC(C1)F 34a_100000690557_100009816398 [0,1,0,1,0,0|2,0,0]=4 12116 B10R1.150 CC[C@H](C)CN1CC(C1)O 269982a_100000749847_100009816398 [0,1,0,1,0,0|2,0,0]=4 12117 B10R1.150 OCC(O)CN1CC(C1)F 2230a_100000690557_100011219619 [0,1,0,1,0,0|2,0,0]=4 12118 B10R1.150 OCC(O)CN1CC(C1)F 34a_100000690557_100011219619 [0,1,0,1,0,0|2,0,0]=4 12119 B10R1.150 OC[C@H](O)CN1CC(C1)F 2230a_100000690557_100009815848 [0,1,0,1,0,0|2,0,0]=4 12120 B10R1.150 OC[C@H](O)CN1CC(C1)F 34a_100000690557_100009815848 [0,1,0,1,0,0|2,0,0]=4 12121 B10R1.150 O[C@@H](CF)CN1CC(C1)F 2230a_100000690557_100015614560 [0,1,0,1,0,0|2,0,0]=4 12122 B10R1.150 O[C@@H](CF)CN1CC(C1)F 34a_100000690557_100015614560 [0,1,0,1,0,0|2,0,0]=4 12123 B10R1.153 C=CC(O)CNCC1CC1 2230a_100000735609_100000730141 [0,1,0,1,0,0|0,0,2]=4 12124 B10R1.153 C=CC(O)CNCC1CC1 34a_100000735609_100000730141 [0,1,0,1,0,0|0,0,2]=4 12125 B10R1.153 C=CC(O)COCC1CC1 34a_100000211283_100000730141 [0,1,0,1,0,0|0,0,2]=4 12126 B10R1.153 C=CC(O)CSCC1CC1 62a_100000730141_100000742324 [0,1,0,1,0,0|0,0,2]=4 12127 B10R1.153 C=CC(O)CSCC1CC1 62a_100000756562_100000730141 [0,1,0,1,0,0|0,0,2]=4 12128 B10R1.153 CC(CF)OCCC1CC1 34a_100016041109_100000694398 [0,1,0,1,0,0|2,0,0]=4 12129 B10R1.153 CC(CF)OCCC1CC1 7a_100016041109_100000764125 [0,1,0,1,0,0|2,0,0]=4 12130 B10R1.153 CC(CN)COCC1CC1 34a_100000744482_100000742324 [0,1,0,1,0,0|2,0,0]=4 12131 B10R1.153 CC(CN)OCCC1CC1 34a_100000210904_100000694398 [0,1,0,1,0,0|2,0,0]=4 12132 B10R1.153 CC(CO)CCNC1CC1 34a_106354213184_100000211595 [0,1,0,1,0,0|2,0,0]=4 12133 B10R1.153 CC(CO)CNCC1CC1 269862a_100000744482_100000741477 [0,1,0,1,0,0|2,0,0]=4 12134 B10R1.153 CC(CO)CNCC1CC1 34a_100000744482_100000742324 [0,1,0,1,0,0|2,0,0]=4 12135 B10R1.153 CC(CO)NCCC1CC1 34a_100000764129_100012180447 [0,1,0,1,0,0|2,0,0]=4 12136 B10R1.153 CC(CO)OCCC1CC1 34a_100000754188_100012180447 [0,1,0,1,0,0|2,0,0]=4 12137 B10R1.153 CC(CO)OCCC1CC1 7a_100000754188_100012180447 [0,1,0,1,0,0|2,0,0]=4 12138 B10R1.153 CC(CO)SCCC1CC1 62a_100012180447_100000764125 [0,1,0,1,0,0|2,0,0]=4 12139 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|0,0,2]=4 12140 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,1,0,1,0,0|0,0,2]=4 12141 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,1,0,1,0,0|0,0,2]=4 12142 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,1,0,1,0,0|0,0,2]=4 12143 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,1,0,1,0,0|0,0,2]=4 12144 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|0,0,2]=4 12145 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|0,0,2]=4 12146 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|0,0,2]=4 12147 B10R1.153 CCC(C)CNCC1CC1 2230a_100000735609_100000748023 [0,1,0,1,0,0|1,0,0]=3 12148 B10R1.153 CCC(C)CNCC1CC1 2230a_100020588543_100000742324 [0,1,0,1,0,0|1,0,0]=3 12149 B10R1.153 CCC(C)CNCC1CC1 269862a_100020588543_100000741477 [0,1,0,1,0,0|1,0,0]=3 12150 B10R1.153 CCC(C)CNCC1CC1 270004a_100000735609_100000243153 [0,1,0,1,0,0|1,0,0]=3 12151 B10R1.153 CCC(C)CNCC1CC1 34a_100000735609_100000748023 [0,1,0,1,0,0|1,0,0]=3 12152 B10R1.153 CCC(C)CNCC1CO1 2230a_100020588543_100011216344 [0,1,0,1,0,0|2,0,0]=4 12153 B10R1.153 CCC(C)COCC1CC1 34a_100000211283_100000748023 [0,1,0,1,0,0|1,0,0]=3 12154 B10R1.153 CCC(C)COC[C@@H]1CO1 34a_100000757423_100000748023 [0,1,0,1,0,0|2,0,0]=4 12155 B10R1.153 CCC(C)CSCC1CC1 62a_100000748023_100000742324 [0,1,0,1,0,0|1,0,0]=3 12156 B10R1.153 CCC(C)CSCC1CC1 62a_100000756562_100000748023 [0,1,0,1,0,0|1,0,0]=3 12157 B10R1.153 CCC(C)CSCC1CO1 62a_100000748023_102125554688 [0,1,0,1,0,0|2,0,0]=4 12158 B10R1.153 CCC(C)CSCC1CO1 62a_102125554688_100000748023 [0,1,0,1,0,0|2,0,0]=4 12159 B10R1.153 CCC(C)CSCC1CS1 62a_100000031435_100000748023 [0,1,0,1,0,0|2,0,0]=4 12160 B10R1.153 CCC(C)CSCC1CS1 62a_100000748023_100000031435 [0,1,0,1,0,0|2,0,0]=4 12161 B10R1.153 CCC(C)CSC[C@@H]1CO1 62a_100000745022_100000748023 [0,1,0,1,0,0|2,0,0]=4 12162 B10R1.153 CCC(C)CSC[C@@H]1CO1 62a_100000748023_100000745022 [0,1,0,1,0,0|2,0,0]=4 12163 B10R1.153 CCC(C)NCCC1CC1 2230a_100000209981_100000694398 [0,1,0,1,0,0|1,0,0]=3 12164 B10R1.153 CCC(C)NCCC1CC1 34a_100000764129_100011215416 [0,1,0,1,0,0|1,0,0]=3 12165 B10R1.153 CCC(C)NCCC1CO1 2230a_100000209981_100000732470 [0,1,0,1,0,0|2,0,0]=4 12166 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [0,1,0,1,0,0|1,0,0]=3 12167 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [0,1,0,1,0,0|1,0,0]=3 12168 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [0,1,0,1,0,0|1,0,0]=3 12169 B10R1.153 CCC(C)OCCC1CO1 7a_100000210228_100000732470 [0,1,0,1,0,0|2,0,0]=4 12170 B10R1.153 CCC(C)OCC[C@@H]1CO1 34a_100009820653_100011215416 [0,1,0,1,0,0|2,0,0]=4 12171 B10R1.153 CCC(C)SCCC1CC1 62a_100000758301_100000764125 [0,1,0,1,0,0|1,0,0]=3 12172 B10R1.153 CCC(C)SCCC1CC1 62a_100000764125_100000758301 [0,1,0,1,0,0|1,0,0]=3 12173 B10R1.153 CCC(C)SCCC1CO1 62a_100000732470_100000758301 [0,1,0,1,0,0|2,0,0]=4 12174 B10R1.153 CCC(C)SCCC1CO1 62a_100000758301_100000732470 [0,1,0,1,0,0|2,0,0]=4 12175 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [0,1,0,1,0,0|0,0,0]=2 12176 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [0,1,0,1,0,0|0,0,0]=2 12177 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [0,1,0,1,0,0|0,0,0]=2 12178 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [0,1,0,1,0,0|0,0,0]=2 12179 B10R1.153 CCC(O)CNCC1CO1 2230a_100011218483_100011216344 [0,1,0,1,0,0|1,0,0]=3 12180 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [0,1,0,1,0,0|0,0,0]=2 12181 B10R1.153 CCC(O)COC[C@@H]1CO1 34a_100000757423_100011218378 [0,1,0,1,0,0|1,0,0]=3 12182 B10R1.153 CCC(O)CSCC1CC1 62a_100000756562_100011218378 [0,1,0,1,0,0|0,0,0]=2 12183 B10R1.153 CCC(O)CSCC1CC1 62a_100011218378_100000742324 [0,1,0,1,0,0|0,0,0]=2 12184 B10R1.153 CCC(O)CSCC1CO1 62a_100011218378_102125554688 [0,1,0,1,0,0|1,0,0]=3 12185 B10R1.153 CCC(O)CSCC1CO1 62a_102125554688_100011218378 [0,1,0,1,0,0|1,0,0]=3 12186 B10R1.153 CCC(O)CSCC1CS1 62a_100000031435_100011218378 [0,1,0,1,0,0|1,0,0]=3 12187 B10R1.153 CCC(O)CSCC1CS1 62a_100011218378_100000031435 [0,1,0,1,0,0|1,0,0]=3 12188 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100000745022_100011218378 [0,1,0,1,0,0|1,0,0]=3 12189 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100011218378_100000745022 [0,1,0,1,0,0|1,0,0]=3 12190 B10R1.153 CCN(C)CCCC1CO1 2230a_100000225621_100000733510 [0,1,0,1,0,0|2,0,0]=4 12191 B10R1.153 CCN(C)CCCC1CO1 269982a_100000225621_100000733510 [0,1,0,1,0,0|2,0,0]=4 12192 B10R1.153 CC[C@H](C)CNCC1CC1 2230a_100000735609_100009816398 [0,1,0,1,0,0|1,0,0]=3 12193 B10R1.153 CC[C@H](C)CNCC1CC1 34a_100000735609_100009816398 [0,1,0,1,0,0|1,0,0]=3 12194 B10R1.153 CC[C@H](C)COCC1CC1 34a_100000211283_100009816398 [0,1,0,1,0,0|1,0,0]=3 12195 B10R1.153 CC[C@H](C)COCC1CC1 7a_100009816381_100000742324 [0,1,0,1,0,0|1,0,0]=3 12196 B10R1.153 CC[C@H](C)COCC1CO1 7a_100009816381_102125554688 [0,1,0,1,0,0|2,0,0]=4 12197 B10R1.153 CC[C@H](C)COCC1CS1 7a_100009816381_100000031435 [0,1,0,1,0,0|2,0,0]=4 12198 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 34a_100000757423_100009816398 [0,1,0,1,0,0|2,0,0]=4 12199 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 7a_100009816381_100000745022 [0,1,0,1,0,0|2,0,0]=4 12200 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100000756562_100009816398 [0,1,0,1,0,0|1,0,0]=3 12201 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100009816398_100000742324 [0,1,0,1,0,0|1,0,0]=3 12202 B10R1.153 CC[C@H](C)CSCC1CO1 62a_100009816398_102125554688 [0,1,0,1,0,0|2,0,0]=4 12203 B10R1.153 CC[C@H](C)CSCC1CO1 62a_102125554688_100009816398 [0,1,0,1,0,0|2,0,0]=4 12204 B10R1.153 CC[C@H](C)CSCC1CS1 62a_100000031435_100009816398 [0,1,0,1,0,0|2,0,0]=4 12205 B10R1.153 CC[C@H](C)CSCC1CS1 62a_100009816398_100000031435 [0,1,0,1,0,0|2,0,0]=4 12206 B10R1.153 CC[C@H](C)CSC[C@@H]1CO1 62a_100000745022_100009816398 [0,1,0,1,0,0|2,0,0]=4 12207 B10R1.153 CC[C@H](C)CSC[C@@H]1CO1 62a_100009816398_100000745022 [0,1,0,1,0,0|2,0,0]=4 12208 B10R1.153 COC(C)COCC1CC1 34a_100000690652_100000742324 [0,1,0,1,0,0|2,0,0]=4 12209 B10R1.153 COC(C)SCCC1CC1 62a_100000764125_100009879195 [0,1,0,1,0,0|2,0,0]=4 12210 B10R1.153 COC(C)SCCC1CC1 62a_100009879195_100000764125 [0,1,0,1,0,0|2,0,0]=4 12211 B10R1.153 CO[C@H](C)CNCC1CC1 2230a_100020591295_100000742324 [0,1,0,1,0,0|2,0,0]=4 12212 B10R1.153 CO[C@H](C)CNCC1CC1 269862a_100020591295_100000741477 [0,1,0,1,0,0|2,0,0]=4 12213 B10R1.153 C[C@@H](CO)CNCC1CC1 2230a_100000735609_100000059175 [0,1,0,1,0,0|2,0,0]=4 12214 B10R1.153 C[C@@H](CO)CNCC1CC1 34a_100000735609_100000059175 [0,1,0,1,0,0|2,0,0]=4 12215 B10R1.153 C[C@@H](CO)COCC1CC1 34a_100000211283_100000059175 [0,1,0,1,0,0|2,0,0]=4 12216 B10R1.153 C[C@@H](CO)CSCC1CC1 62a_100000059175_100000742324 [0,1,0,1,0,0|2,0,0]=4 12217 B10R1.153 C[C@@H](CO)CSCC1CC1 62a_100000756562_100000059175 [0,1,0,1,0,0|2,0,0]=4 12218 B10R1.153 C[C@H](CO)NCCC1CC1 2230a_100000737577_100000694398 [0,1,0,1,0,0|2,0,0]=4 12219 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100000764125_100016084084 [0,1,0,1,0,0|2,0,0]=4 12220 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100016084084_100000764125 [0,1,0,1,0,0|2,0,0]=4 12221 B10R1.153 ClCC(Cl)COCC1CC1 34a_100000033668_100000742324 [0,1,0,1,0,0|2,0,0]=4 12222 B10R1.153 NC[C@@H](F)COCC1CC1 34a_100015665980_100000742324 [0,1,0,1,0,0|2,0,0]=4 12223 B10R1.153 OCC(O)CNCC1CC1 2230a_100000735609_100011219619 [0,1,0,1,0,0|1,0,0]=3 12224 B10R1.153 OCC(O)CNCC1CC1 34a_100000735609_100011219619 [0,1,0,1,0,0|1,0,0]=3 12225 B10R1.153 OCC(O)COCC1CC1 34a_100000211283_100011219619 [0,1,0,1,0,0|1,0,0]=3 12226 B10R1.153 OCC(O)COC[C@@H]1CO1 34a_100000757423_100011219619 [0,1,0,1,0,0|2,0,0]=4 12227 B10R1.153 OCC(O)CSCC1CC1 62a_100000756562_100011219619 [0,1,0,1,0,0|1,0,0]=3 12228 B10R1.153 OCC(O)CSCC1CC1 62a_100011219619_100000742324 [0,1,0,1,0,0|1,0,0]=3 12229 B10R1.153 OCC(O)CSCC1CO1 62a_100011219619_102125554688 [0,1,0,1,0,0|2,0,0]=4 12230 B10R1.153 OCC(O)CSCC1CO1 62a_102125554688_100011219619 [0,1,0,1,0,0|2,0,0]=4 12231 B10R1.153 OCC(O)CSCC1CS1 62a_100000031435_100011219619 [0,1,0,1,0,0|2,0,0]=4 12232 B10R1.153 OCC(O)CSCC1CS1 62a_100011219619_100000031435 [0,1,0,1,0,0|2,0,0]=4 12233 B10R1.153 OCC(O)CSC[C@@H]1CO1 62a_100000745022_100011219619 [0,1,0,1,0,0|2,0,0]=4 12234 B10R1.153 OCC(O)CSC[C@@H]1CO1 62a_100011219619_100000745022 [0,1,0,1,0,0|2,0,0]=4 12235 B10R1.153 OC[C@@H](O)CNCC1CC1 2230a_100020644852_100000742324 [0,1,0,1,0,0|1,0,0]=3 12236 B10R1.153 OC[C@@H](O)CNCC1CC1 269862a_100020644852_100000741477 [0,1,0,1,0,0|1,0,0]=3 12237 B10R1.153 OC[C@@H](O)CNCC1CO1 2230a_100020644852_100011216344 [0,1,0,1,0,0|2,0,0]=4 12238 B10R1.153 OC[C@H](F)CNCC1CC1 269862a_100015665980_100000741477 [0,1,0,1,0,0|2,0,0]=4 12239 B10R1.153 OC[C@H](F)CNCC1CC1 34a_100015665980_100000742324 [0,1,0,1,0,0|2,0,0]=4 12240 B10R1.153 OC[C@H](O)CNCC1CC1 2230a_100000735609_100009815848 [0,1,0,1,0,0|1,0,0]=3 12241 B10R1.153 OC[C@H](O)CNCC1CC1 34a_100000735609_100009815848 [0,1,0,1,0,0|1,0,0]=3 12242 B10R1.153 OC[C@H](O)COCC1CC1 34a_100000211283_100009815848 [0,1,0,1,0,0|1,0,0]=3 12243 B10R1.153 OC[C@H](O)COC[C@@H]1CO1 34a_100000757423_100009815848 [0,1,0,1,0,0|2,0,0]=4 12244 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100000756562_100009815848 [0,1,0,1,0,0|1,0,0]=3 12245 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100009815848_100000742324 [0,1,0,1,0,0|1,0,0]=3 12246 B10R1.153 OC[C@H](O)CSCC1CO1 62a_100009815848_102125554688 [0,1,0,1,0,0|2,0,0]=4 12247 B10R1.153 OC[C@H](O)CSCC1CO1 62a_102125554688_100009815848 [0,1,0,1,0,0|2,0,0]=4 12248 B10R1.153 OC[C@H](O)CSCC1CS1 62a_100000031435_100009815848 [0,1,0,1,0,0|2,0,0]=4 12249 B10R1.153 OC[C@H](O)CSCC1CS1 62a_100009815848_100000031435 [0,1,0,1,0,0|2,0,0]=4 12250 B10R1.153 OC[C@H](O)CSC[C@@H]1CO1 62a_100000745022_100009815848 [0,1,0,1,0,0|2,0,0]=4 12251 B10R1.153 OC[C@H](O)CSC[C@@H]1CO1 62a_100009815848_100000745022 [0,1,0,1,0,0|2,0,0]=4 12252 B10R1.153 O[C@@H](CF)CNCC1CC1 2230a_100000735609_100015614560 [0,1,0,1,0,0|1,0,0]=3 12253 B10R1.153 O[C@@H](CF)CNCC1CC1 34a_100000735609_100015614560 [0,1,0,1,0,0|1,0,0]=3 12254 B10R1.153 O[C@@H](CF)COCC1CC1 34a_100000211283_100015614560 [0,1,0,1,0,0|1,0,0]=3 12255 B10R1.153 O[C@@H](CF)COC[C@@H]1CO1 34a_100000757423_100015614560 [0,1,0,1,0,0|2,0,0]=4 12256 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100000756562_100015614560 [0,1,0,1,0,0|1,0,0]=3 12257 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100015614560_100000742324 [0,1,0,1,0,0|1,0,0]=3 12258 B10R1.153 O[C@@H](CF)CSCC1CO1 62a_100015614560_102125554688 [0,1,0,1,0,0|2,0,0]=4 12259 B10R1.153 O[C@@H](CF)CSCC1CO1 62a_102125554688_100015614560 [0,1,0,1,0,0|2,0,0]=4 12260 B10R1.153 O[C@@H](CF)CSCC1CS1 62a_100000031435_100015614560 [0,1,0,1,0,0|2,0,0]=4 12261 B10R1.153 O[C@@H](CF)CSCC1CS1 62a_100015614560_100000031435 [0,1,0,1,0,0|2,0,0]=4 12262 B10R1.153 O[C@@H](CF)CSC[C@@H]1CO1 62a_100000745022_100015614560 [0,1,0,1,0,0|2,0,0]=4 12263 B10R1.153 O[C@@H](CF)CSC[C@@H]1CO1 62a_100015614560_100000745022 [0,1,0,1,0,0|2,0,0]=4 12264 B10R1.168 CCC1CN(C1)CC(C)C 2230a_100015205115_100000210760 [0,1,0,1,0,0|2,0,0]=4 12265 B10R1.168 CCC1CN(C1)CC(C)C 269982a_100015205115_100000210624 [0,1,0,1,0,0|2,0,0]=4 12266 B10R1.168 CCC1CN(C1)CC(C)C 270004a_100015205115_100000210432 [0,1,0,1,0,0|2,0,0]=4 12267 B10R1.168 CCC1CN(C1)CC(C)O 2230a_100015205115_100011218427 [0,1,0,1,0,0|2,0,0]=4 12268 B10R1.168 CCC1CN(C1)CC(C)O 269982a_100015205115_100011218427 [0,1,0,1,0,0|2,0,0]=4 12269 B10R1.168 CCC1CN(C1)C[C@@H](C)O 2230a_100015205115_100009817552 [0,1,0,1,0,0|2,0,0]=4 12270 B10R1.168 CCC1CN(C1)C[C@@H](C)O 269982a_100015205115_100009817552 [0,1,0,1,0,0|2,0,0]=4 12271 B10R1.168 CCN1CC(C1)CC(C)C 2230a_214813039686_100000210202 [0,1,0,1,0,0|2,0,0]=4 12272 B10R1.168 CCN1CC(C1)CC(C)C 269982a_214813039686_100000204670 [0,1,0,1,0,0|2,0,0]=4 12273 B10R1.168 CCN1CC(C1)CC(C)C 34a_214813039686_100000210202 [0,1,0,1,0,0|2,0,0]=4 12274 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [0,1,0,1,0,0|2,0,0]=4 12275 B10R1.171 CCN1CCCC(C1)(C)C 2230a_100000716857_100000210202 [0,1,0,1,0,0|2,0,0]=4 12276 B10R1.171 CCN1CCCC(C1)(C)C 269982a_100000716857_100000204670 [0,1,0,1,0,0|2,0,0]=4 12277 B10R1.171 CCN1CCCC(C1)(C)C 34a_100000716857_100000210202 [0,1,0,1,0,0|2,0,0]=4 12278 B10R1.171 CCN1CCCC(C1)(C)O 2230a_100000695535_100000210202 [0,1,0,1,0,0|2,0,0]=4 12279 B10R1.171 CCN1CCCC(C1)(C)O 269982a_100000695535_100000204670 [0,1,0,1,0,0|2,0,0]=4 12280 B10R1.171 CNC1CCCC(C1)(C)C 270004a_106832991635_100000031663 [0,1,0,1,0,0|2,0,0]=4 12281 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [0,1,0,1,0,0|2,0,0]=4 12282 B10R1.197 CC1CCCN(CC1)CF 269982a_100025706717_100015361967 [0,1,0,1,0,0|2,0,0]=4 12283 B10R1.197 CC1CCCN(CC1)CF 34a_100025706717_100015361967 [0,1,0,1,0,0|2,0,0]=4 12284 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 12285 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 12286 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 12287 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 12288 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 12289 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 12290 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [0,1,0,1,0,0|1,0,0]=3 12291 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [0,1,0,1,0,0|1,0,0]=3 12292 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [0,1,0,1,0,0|1,0,0]=3 12293 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [0,1,0,1,0,0|0,0,0]=2 12294 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [0,1,0,1,0,0|0,0,0]=2 12295 B10R1.197 CCN1CCCN(CC1)C 2230a_100000211313_100000210202 [0,1,0,1,0,0|2,0,0]=4 12296 B10R1.197 CCN1CCCN(CC1)C 2230a_100000748291_200000210301 [0,1,0,1,0,0|2,0,0]=4 12297 B10R1.197 CCN1CCCN(CC1)C 269982a_100000211313_100000204670 [0,1,0,1,0,0|2,0,0]=4 12298 B10R1.197 CCN1CCCN(CC1)C 269982a_100000748291_200000210301 [0,1,0,1,0,0|2,0,0]=4 12299 B10R1.197 CCN1CCCN(CC1)[13CH3] 2230a_100000748291_200025704644 [0,1,0,1,0,0|2,0,0]=4 12300 B10R1.197 CCN1CCCN(CC1)[13CH3] 269982a_100000748291_200025704644 [0,1,0,1,0,0|2,0,0]=4 12301 B10R1.197 COC1CCCN(CC1)C 2230a_100016993962_200000210301 [0,1,0,1,0,0|1,0,0]=3 12302 B10R1.197 COC1CCCN(CC1)C 269982a_100016993962_200000210301 [0,1,0,1,0,0|1,0,0]=3 12303 B10R1.197 COC1CCCN(CC1)C 34a_100016993962_200000210301 [0,1,0,1,0,0|1,0,0]=3 12304 B10R1.197 COC1CCCN(CC1)[13CH3] 2230a_100016993962_200025704644 [0,1,0,1,0,0|1,0,0]=3 12305 B10R1.197 COC1CCCN(CC1)[13CH3] 269982a_100016993962_200025704644 [0,1,0,1,0,0|1,0,0]=3 12306 B10R1.197 COC1CCCN(CC1)[13CH3] 34a_100016993962_200025704644 [0,1,0,1,0,0|1,0,0]=3 12307 B10R1.197 OC1CCCN(CC1)CF 269982a_100015186869_100015361967 [0,1,0,1,0,0|1,0,0]=3 12308 B10R1.206 CC(CO)OCC1CC1C 34a_100000744939_100012180447 [0,1,0,1,0,0|2,0,0]=4 12309 B10R1.206 CC(CO)OCC1CC1C 7a_100000744939_100012180447 [0,1,0,1,0,0|2,0,0]=4 12310 B10R1.206 CCC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000748023 [0,1,0,1,0,0|2,0,0]=4 12311 B10R1.206 CCC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000748023 [0,1,0,1,0,0|2,0,0]=4 12312 B10R1.206 CCC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100000748023 [0,1,0,1,0,0|2,0,0]=4 12313 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [0,1,0,1,0,0|1,0,0]=3 12314 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [0,1,0,1,0,0|1,0,0]=3 12315 B10R1.206 CCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218378 [0,1,0,1,0,0|1,0,0]=3 12316 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011218378 [0,1,0,1,0,0|1,0,0]=3 12317 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011218378 [0,1,0,1,0,0|1,0,0]=3 12318 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009816398 [0,1,0,1,0,0|2,0,0]=4 12319 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009816398 [0,1,0,1,0,0|2,0,0]=4 12320 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@H]1F 34a_100025746932_100009816398 [0,1,0,1,0,0|2,0,0]=4 12321 B10R1.206 OCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011219619 [0,1,0,1,0,0|2,0,0]=4 12322 B10R1.206 OCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011219619 [0,1,0,1,0,0|2,0,0]=4 12323 B10R1.206 OCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011219619 [0,1,0,1,0,0|2,0,0]=4 12324 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009815848 [0,1,0,1,0,0|2,0,0]=4 12325 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009815848 [0,1,0,1,0,0|2,0,0]=4 12326 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100009815848 [0,1,0,1,0,0|2,0,0]=4 12327 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100015614560 [0,1,0,1,0,0|2,0,0]=4 12328 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@H]1F 2230a_100025746932_100015614560 [0,1,0,1,0,0|2,0,0]=4 12329 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@H]1F 34a_100025746932_100015614560 [0,1,0,1,0,0|2,0,0]=4 12330 B10R1.302 CC1(CCCN(CC1)[13CH3])O 2230a_100000723723_200025704644 [0,1,0,1,0,0|1,0,0]=3 12331 B10R1.302 CC1(CCCN(CC1)[13CH3])O 269982a_100000723723_200025704644 [0,1,0,1,0,0|1,0,0]=3 12332 B10R1.302 CC1(CCCN(CC1)[13CH3])O 34a_100000723723_200025704644 [0,1,0,1,0,0|1,0,0]=3 12333 B10R1.302 CN1CCCC(CC1)(C)O 2230a_100000723723_200000210301 [0,1,0,1,0,0|1,0,0]=3 12334 B10R1.302 CN1CCCC(CC1)(C)O 269982a_100000723723_200000210301 [0,1,0,1,0,0|1,0,0]=3 12335 B10R1.302 CN1CCCC(CC1)(C)O 34a_100000723723_200000210301 [0,1,0,1,0,0|1,0,0]=3 12336 B10R1.302 CN1CCCC(CC1)(F)F 2230a_100020621504_200000210301 [0,1,0,1,0,0|2,0,0]=4 12337 B10R1.302 CN1CCCC(CC1)(F)F 269982a_100020621504_200000210301 [0,1,0,1,0,0|2,0,0]=4 12338 B10R1.302 CN1CCCC(CC1)(F)F 34a_100020621504_200000210301 [0,1,0,1,0,0|2,0,0]=4 12339 B10R1.302 [13CH3]N1CCCC(CC1)(F)F 2230a_100020621504_200025704644 [0,1,0,1,0,0|2,0,0]=4 12340 B10R1.302 [13CH3]N1CCCC(CC1)(F)F 269982a_100020621504_200025704644 [0,1,0,1,0,0|2,0,0]=4 12341 B10R1.302 [13CH3]N1CCCC(CC1)(F)F 34a_100020621504_200025704644 [0,1,0,1,0,0|2,0,0]=4 12342 B10R1.350 C=C(C)CNCC1(CC1)O 2230a_100011936951_100000748629 [0,1,0,1,0,0|1,0,1]=4 12343 B10R1.350 CC(C)CCNC1(CC1)C 2230a_100000757604_100000210312 [0,1,0,1,0,0|2,0,0]=4 12344 B10R1.350 CC(C)CCOC1(CC1)C 7a_100011725673_100000210626 [0,1,0,1,0,0|2,0,0]=4 12345 B10R1.350 CC(C)CNCC1(CC1)C 2230a_100000766693_100000210760 [0,1,0,1,0,0|2,0,0]=4 12346 B10R1.350 CC(C)CNCC1(CC1)C 270004a_100000766693_100000210432 [0,1,0,1,0,0|2,0,0]=4 12347 B10R1.350 CC(C)CNCC1(CC1)O 2230a_100011936951_100000210760 [0,1,0,1,0,0|1,0,0]=3 12348 B10R1.350 CC(C)CNCC1(CC1)O 270004a_100011936951_100000210432 [0,1,0,1,0,0|1,0,0]=3 12349 B10R1.350 CC(C)COCC1(CC1)C 7a_100000698024_100000210760 [0,1,0,1,0,0|2,0,0]=4 12350 B10R1.350 CC(C)COCC1(CC1)F 34a_200000703853_100000210624 [0,1,0,1,0,0|2,0,0]=4 12351 B10R1.350 CC(C)COCC1(CC1)F 7a_200000703853_100000210760 [0,1,0,1,0,0|2,0,0]=4 12352 B10R1.350 CC(O)CCNC1(CC1)C 2230a_100000757604_100012276601 [0,1,0,1,0,0|2,0,0]=4 12353 B10R1.350 CC(O)CCOC1(CC1)C 7a_100011725673_100012276601 [0,1,0,1,0,0|2,0,0]=4 12354 B10R1.350 CC(O)CNCC1(CC1)C 2230a_100000766693_100011218427 [0,1,0,1,0,0|2,0,0]=4 12355 B10R1.350 CC(O)CNCC1(CC1)O 2230a_100011936951_100011218427 [0,1,0,1,0,0|1,0,0]=3 12356 B10R1.350 CC(O)COCC1(CC1)C 7a_100000698024_100011218427 [0,1,0,1,0,0|2,0,0]=4 12357 B10R1.350 CC(O)COCC1(CC1)F 34a_200000703853_100011218427 [0,1,0,1,0,0|2,0,0]=4 12358 B10R1.350 CC(O)COCC1(CC1)F 7a_200000703853_100011218427 [0,1,0,1,0,0|2,0,0]=4 12359 B10R1.350 C[C@@H](O)CNCC1(CC1)C 2230a_100000766693_100009817552 [0,1,0,1,0,0|2,0,0]=4 12360 B10R1.350 C[C@@H](O)CNCC1(CC1)O 2230a_100011936951_100009817552 [0,1,0,1,0,0|1,0,0]=3 12361 B10R1.350 C[C@@H](O)COCC1(CC1)C 7a_100000698024_100009817552 [0,1,0,1,0,0|2,0,0]=4 12362 B10R1.350 C[C@@H](O)COCC1(CC1)F 34a_200000703853_100009817552 [0,1,0,1,0,0|2,0,0]=4 12363 B10R1.350 C[C@@H](O)COCC1(CC1)F 7a_200000703853_100009817552 [0,1,0,1,0,0|2,0,0]=4 12364 B10R1.350 OC1(CC1)CNCC(F)F 2230a_100011936951_100011934356 [0,1,0,1,0,0|2,0,0]=4 12365 B10R1.485 CCC1(CCCN(C1)C)C 2230a_100000756310_200000210301 [0,1,0,1,0,0|2,0,0]=4 12366 B10R1.485 CCC1(CCCN(C1)C)C 269982a_100000756310_200000210301 [0,1,0,1,0,0|2,0,0]=4 12367 B10R1.485 CCC1(CCCN(C1)[13CH3])C 2230a_100000756310_200025704644 [0,1,0,1,0,0|2,0,0]=4 12368 B10R1.485 CCC1(CCCN(C1)[13CH3])C 269982a_100000756310_200025704644 [0,1,0,1,0,0|2,0,0]=4 12369 B10R1.10 CC1CCCC(C1)NCF 34a_100011194320_100015361967 [0,1,0,1,0,0|2,0,0]=4 12370 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,1,0,1,0,0|2,0,0]=4 12371 B10R1.10 CC1CNCC(C1)CO[13CH3] 34a_200012821172_200025704644 [0,1,0,1,0,0|2,0,0]=4 12372 B10R1.10 CCCN1CCCC(C1)F 2230a_100000697950_100000210303 [0,1,0,1,0,0|2,0,0]=4 12373 B10R1.10 CCCN1CCCC(C1)F 269982a_100000697950_100000210303 [0,1,0,1,0,0|2,0,0]=4 12374 B10R1.10 CCCN1CCCC(C1)F 34a_100000697950_100000210303 [0,1,0,1,0,0|2,0,0]=4 12375 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [0,1,0,1,0,0|1,0,0]=3 12376 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [0,1,0,1,0,0|1,0,0]=3 12377 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [0,1,0,1,0,0|2,0,0]=4 12378 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [0,1,0,1,0,0|2,0,0]=4 12379 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [0,1,0,1,0,0|2,0,0]=4 12380 B10R1.10 CCCN1CCOC(C1)C 2230a_100000729577_100000210303 [0,1,0,1,0,0|2,0,0]=4 12381 B10R1.10 CCCN1CCOC(C1)C 269982a_100000729577_100000210303 [0,1,0,1,0,0|2,0,0]=4 12382 B10R1.10 CCCN1CCOC(C1)C 34a_100000729577_100000210303 [0,1,0,1,0,0|2,0,0]=4 12383 B10R1.10 CCCN1CCOC(C1)O 2230a_100000688207_100000210303 [0,1,0,1,0,0|1,0,0]=3 12384 B10R1.10 CCCN1CCOC(C1)O 269982a_100000688207_100000210303 [0,1,0,1,0,0|1,0,0]=3 12385 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,1,0,1,0,0|1,0,0]=3 12386 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,1,0,1,0,0|1,0,0]=3 12387 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,1,0,1,0,0|1,0,0]=3 12388 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,1,0,1,0,0|1,0,0]=3 12389 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,1,0,1,0,0|1,0,0]=3 12390 B10R1.10 CCNC1CCN[C@@H](C1)C 270004a_100015525214_100016994030 [0,1,0,1,0,0|2,0,0]=4 12391 B10R1.10 CCNC1CCOC(C1)C 270004a_100015525214_100000755752 [0,1,0,1,0,0|2,0,0]=4 12392 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,1,0,1,0,0|1,0,1]=4 12393 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,1,0,1,0,0|1,0,0]=3 12394 B10R1.10 CCOC1CCCN(C1)C 2230a_100000745229_200000210301 [0,1,0,1,0,0|2,0,0]=4 12395 B10R1.10 CCOC1CCCN(C1)C 269982a_100000745229_200000210301 [0,1,0,1,0,0|2,0,0]=4 12396 B10R1.10 CCOC1CCCN(C1)C 34a_100000745229_200000210301 [0,1,0,1,0,0|2,0,0]=4 12397 B10R1.10 CCOC1CCCN(C1)[13CH3] 2230a_100000745229_200025704644 [0,1,0,1,0,0|2,0,0]=4 12398 B10R1.10 CCOC1CCCN(C1)[13CH3] 269982a_100000745229_200025704644 [0,1,0,1,0,0|2,0,0]=4 12399 B10R1.10 CCOC1CCCN(C1)[13CH3] 34a_100000745229_200025704644 [0,1,0,1,0,0|2,0,0]=4 12400 B10R1.10 CCOC1CCOC(C1)C 34a_100011986385_100000210202 [0,1,0,1,0,0|2,0,0]=4 12401 B10R1.10 CCOC1CCOC(C1)C 7a_100011986385_100000210202 [0,1,0,1,0,0|2,0,0]=4 12402 B10R1.10 CN1CCCC(C1)CCO 2230a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 12403 B10R1.10 CN1CCCC(C1)CCO 269982a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 12404 B10R1.10 CN1CCCC(C1)CCO 34a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 12405 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_100000752043_200025704644 [0,1,0,1,0,0|2,0,0]=4 12406 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_200025704644_100000752043 [0,1,0,1,0,0|2,0,0]=4 12407 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,1,0,1,0,0|1,0,0]=3 12408 B10R1.10 CNCC1CCCN(C1)C 34a_100102657272_100015183302 [0,1,0,1,0,0|2,0,0]=4 12409 B10R1.10 CNCC1CCCN(C1)C 7a_106832991635_100000752043 [0,1,0,1,0,0|2,0,0]=4 12410 B10R1.10 COCC1CCCN(C1)C 2230a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 12411 B10R1.10 COCC1CCCN(C1)C 269982a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 12412 B10R1.10 COCC1CCCN(C1)C 34a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 12413 B10R1.10 COCC1CCCN(C1)C 34a_100138415774_100015183302 [0,1,0,1,0,0|2,0,0]=4 12414 B10R1.10 COCC1CCCN(C1)[13CH3] 2230a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 12415 B10R1.10 COCC1CCCN(C1)[13CH3] 269982a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 12416 B10R1.10 COCC1CCCN(C1)[13CH3] 34a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 12417 B10R1.10 COCC1CNCC(C1)C 34a_200012821172_200000210301 [0,1,0,1,0,0|2,0,0]=4 12418 B10R1.10 COCN1CCCC(C1)O 2230a_100000211013_100000766300 [0,1,0,1,0,0|2,0,0]=4 12419 B10R1.10 COCN1CCCC(C1)O 269982a_100000211013_100000766300 [0,1,0,1,0,0|2,0,0]=4 12420 B10R1.10 COCN1CCC[C@@H](C1)C 2230a_100000717927_100000766300 [0,1,0,1,0,0|2,0,0]=4 12421 B10R1.10 COCN1CCC[C@@H](C1)C 269982a_100000717927_100000766300 [0,1,0,1,0,0|2,0,0]=4 12422 B10R1.10 COCN1CCOC(C1)O 2230a_100000688207_100000766300 [0,1,0,1,0,0|2,0,0]=4 12423 B10R1.10 COCN1CCOC(C1)O 269982a_100000688207_100000766300 [0,1,0,1,0,0|2,0,0]=4 12424 B10R1.10 CSCC1CCCN(C1)C 62a_100000752043_200000210301 [0,1,0,1,0,0|2,0,0]=4 12425 B10R1.10 CSCC1CCCN(C1)C 62a_200000210301_100000752043 [0,1,0,1,0,0|2,0,0]=4 12426 B10R1.10 CSCN1CCCC(C1)O 2230a_100000211013_100011218213 [0,1,0,1,0,0|2,0,0]=4 12427 B10R1.10 CSCN1CCCC(C1)O 269982a_100000211013_100011218213 [0,1,0,1,0,0|2,0,0]=4 12428 B10R1.10 CSCN1CCC[C@@H](C1)C 2230a_100000717927_100011218213 [0,1,0,1,0,0|2,0,0]=4 12429 B10R1.10 CSCN1CCC[C@@H](C1)C 269982a_100000717927_100011218213 [0,1,0,1,0,0|2,0,0]=4 12430 B10R1.10 CSCN1CCC[C@@H](C1)C 34a_100000717927_100011218213 [0,1,0,1,0,0|2,0,0]=4 12431 B10R1.10 CSCN1CCOC(C1)O 2230a_100000688207_100011218213 [0,1,0,1,0,0|2,0,0]=4 12432 B10R1.10 CSCN1CCOC(C1)O 269982a_100000688207_100011218213 [0,1,0,1,0,0|2,0,0]=4 12433 B10R1.10 C[C@H]1CCCN(C1)CCF 2230a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 12434 B10R1.10 C[C@H]1CCCN(C1)CCF 269982a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 12435 B10R1.10 C[C@H]1CCCN(C1)CCF 34a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 12436 B10R1.10 C[C@H]1CCCN(C1)CCO 2230a_100000717927_100000211926 [0,1,0,1,0,0|2,0,0]=4 12437 B10R1.10 C[C@H]1CCCN(C1)CCO 269982a_100000717927_100000211926 [0,1,0,1,0,0|2,0,0]=4 12438 B10R1.10 C[C@H]1CCCN(C1)CCO 34a_100000717927_100000211926 [0,1,0,1,0,0|2,0,0]=4 12439 B10R1.10 OC1CCCN(C1)CCF 2230a_100000211013_100011217306 [0,1,0,1,0,0|2,0,0]=4 12440 B10R1.10 OC1CCCN(C1)CCF 269982a_100000211013_100011217306 [0,1,0,1,0,0|2,0,0]=4 12441 B10R1.10 OC1CN(CCO1)CCF 2230a_100000688207_100011217306 [0,1,0,1,0,0|2,0,0]=4 12442 B10R1.10 OC1CN(CCO1)CCF 269982a_100000688207_100011217306 [0,1,0,1,0,0|2,0,0]=4 12443 B10R1.10 OCCN1CCCC(C1)O 2230a_100000211013_100000211926 [0,1,0,1,0,0|2,0,0]=4 12444 B10R1.10 OCCN1CCCC(C1)O 269982a_100000211013_100000211926 [0,1,0,1,0,0|2,0,0]=4 12445 B10R1.10 OCCN1CCOC(C1)O 2230a_100000688207_100000211926 [0,1,0,1,0,0|2,0,0]=4 12446 B10R1.10 OCCN1CCOC(C1)O 269982a_100000688207_100000211926 [0,1,0,1,0,0|2,0,0]=4 12447 B10R1.10 [13CH3]N1CCCC(C1)CCO 2230a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 12448 B10R1.10 [13CH3]N1CCCC(C1)CCO 269982a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 12449 B10R1.10 [13CH3]N1CCCC(C1)CCO 34a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 12450 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,1,0,1,0,0|1,0,0]=3 12451 B10R1.11 CC(CCO)N1CCCC1 2230a_100000188435_100009893172 [0,1,0,1,0,0|2,0,0]=4 12452 B10R1.11 CC(CCO)N1CCCC1 269982a_100000188435_100009893172 [0,1,0,1,0,0|2,0,0]=4 12453 B10R1.11 CC(CS[13CH3])N1CCCC1 62a_200015187269_200025704644 [0,1,0,1,0,0|2,0,0]=4 12454 B10R1.11 CC(CS[13CH3])N1CCCC1 62a_200025704644_200015187269 [0,1,0,1,0,0|2,0,0]=4 12455 B10R1.11 CC(NCF)C1CCCC1 34a_100015185923_100015361967 [0,1,0,1,0,0|2,0,0]=4 12456 B10R1.11 CC(OCF)C1CCCC1 34a_100011216366_100015361967 [0,1,0,1,0,0|2,0,0]=4 12457 B10R1.11 CC(OCF)C1CCCC1 7a_100011216366_100015361967 [0,1,0,1,0,0|2,0,0]=4 12458 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|0,0,2]=4 12459 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|0,0,2]=4 12460 B10R1.11 CCCC(C)N1CCCC1 2230a_100000188435_100000766640 [0,1,0,1,0,0|2,0,0]=4 12461 B10R1.11 CCCC(C)N1CCCC1 269982a_100000188435_100000766640 [0,1,0,1,0,0|2,0,0]=4 12462 B10R1.11 CCCC(C)N1CCCC1 270004a_100000188435_100000211909 [0,1,0,1,0,0|2,0,0]=4 12463 B10R1.11 CCCN(C)C1CCCC1 2230a_100000201646_200000210301 [0,1,0,1,0,0|2,0,0]=4 12464 B10R1.11 CCCN(C)C1CCCC1 2230a_100000207505_100000210303 [0,1,0,1,0,0|2,0,0]=4 12465 B10R1.11 CCCN(C)C1CCCC1 2230a_100000747261_100000179811 [0,1,0,1,0,0|2,0,0]=4 12466 B10R1.11 CCCN(C)C1CCCC1 269982a_100000201646_200000210301 [0,1,0,1,0,0|2,0,0]=4 12467 B10R1.11 CCCN(C)C1CCCC1 269982a_100000207505_100000210303 [0,1,0,1,0,0|2,0,0]=4 12468 B10R1.11 CCCN(C)C1CCCC1 269982a_100000747261_100000179811 [0,1,0,1,0,0|2,0,0]=4 12469 B10R1.11 CCCN(C)C1CCCC1 270004a_100000747261_100000210133 [0,1,0,1,0,0|2,0,0]=4 12470 B10R1.11 CCCN(C)C1CCCC1 34a_100000201646_200000210301 [0,1,0,1,0,0|2,0,0]=4 12471 B10R1.11 CCCN(C)C1CCCC1 34a_100000207505_100000210303 [0,1,0,1,0,0|2,0,0]=4 12472 B10R1.11 CCCN([13CH3])C1CCCC1 2230a_100000201646_200025704644 [0,1,0,1,0,0|2,0,0]=4 12473 B10R1.11 CCCN([13CH3])C1CCCC1 269982a_100000201646_200025704644 [0,1,0,1,0,0|2,0,0]=4 12474 B10R1.11 CCCN([13CH3])C1CCCC1 34a_100000201646_200025704644 [0,1,0,1,0,0|2,0,0]=4 12475 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,1,0,0|0,0,2]=4 12476 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,1,0,0|0,0,2]=4 12477 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,1,0,0|0,0,2]=4 12478 B10R1.11 CCNC(C)C1CCCC1 2230a_100015185923_100000210202 [0,1,0,1,0,0|1,0,0]=3 12479 B10R1.11 CCNC(C)C1CCCC1 269862a_100015525214_100000749594 [0,1,0,1,0,0|1,0,0]=3 12480 B10R1.11 CCNC(C)C1CCCC1 270004a_100015525214_100000749594 [0,1,0,1,0,0|1,0,0]=3 12481 B10R1.11 CCNC(C)C1CCCC1 34a_100015185923_100000210202 [0,1,0,1,0,0|1,0,0]=3 12482 B10R1.11 CCNC(C)C1CCCO1 2230a_100025754208_100000210202 [0,1,0,1,0,0|2,0,0]=4 12483 B10R1.11 CCNC(C)C1CCCO1 34a_100025754208_100000210202 [0,1,0,1,0,0|2,0,0]=4 12484 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [0,1,0,1,0,0|1,0,0]=3 12485 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [0,1,0,1,0,0|1,0,0]=3 12486 B10R1.11 CN(CCF)C1CCCC1 2230a_100000207505_100011217306 [0,1,0,1,0,0|2,0,0]=4 12487 B10R1.11 CN(CCF)C1CCCC1 269982a_100000207505_100011217306 [0,1,0,1,0,0|2,0,0]=4 12488 B10R1.11 CN(CCF)C1CCCC1 34a_100000207505_100011217306 [0,1,0,1,0,0|2,0,0]=4 12489 B10R1.11 CN(CCO)C1CCCC1 2230a_100000207505_100000211926 [0,1,0,1,0,0|2,0,0]=4 12490 B10R1.11 CN(CCO)C1CCCC1 2230a_100000210263_100000179811 [0,1,0,1,0,0|2,0,0]=4 12491 B10R1.11 CN(CCO)C1CCCC1 269982a_100000207505_100000211926 [0,1,0,1,0,0|2,0,0]=4 12492 B10R1.11 CN(CCO)C1CCCC1 269982a_100000210263_100000179811 [0,1,0,1,0,0|2,0,0]=4 12493 B10R1.11 CN(CCO)C1CCCC1 269982a_200000200444_200000210301 [0,1,0,1,0,0|2,0,0]=4 12494 B10R1.11 CN(CCO)C1CCCC1 270004a_100000210263_100000210133 [0,1,0,1,0,0|2,0,0]=4 12495 B10R1.11 CN(CCO)C1CCCC1 34a_100000207505_100000211926 [0,1,0,1,0,0|2,0,0]=4 12496 B10R1.11 CN(CCO)C1CCCC1 34a_200000200444_200000210301 [0,1,0,1,0,0|2,0,0]=4 12497 B10R1.11 CNCC(C)N1CCCC1 7a_106832991635_200015187269 [0,1,0,1,0,0|2,0,0]=4 12498 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,1,0,0|0,0,2]=4 12499 B10R1.11 COCC(C)N1CCCC1 2230a_100000188435_100000765312 [0,1,0,1,0,0|2,0,0]=4 12500 B10R1.11 COCC(C)N1CCCC1 269982a_100000188435_100000765312 [0,1,0,1,0,0|2,0,0]=4 12501 B10R1.11 COCC(C)N1CCCC1 270004a_100000188435_100000749346 [0,1,0,1,0,0|2,0,0]=4 12502 B10R1.11 COCN(C)C1CCCC1 2230a_100000207505_100000766300 [0,1,0,1,0,0|2,0,0]=4 12503 B10R1.11 COCN(C)C1CCCC1 269982a_100000207505_100000766300 [0,1,0,1,0,0|2,0,0]=4 12504 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,1,0,1,0,0|0,0,2]=4 12505 B10R1.11 CSCC(C)N1CCCC1 270004a_100000188435_100011216314 [0,1,0,1,0,0|2,0,0]=4 12506 B10R1.11 CSCC(C)N1CCCC1 62a_200000210301_200015187269 [0,1,0,1,0,0|2,0,0]=4 12507 B10R1.11 CSCC(C)N1CCCC1 62a_200015187269_200000210301 [0,1,0,1,0,0|2,0,0]=4 12508 B10R1.11 CSCN(C)C1CCCC1 2230a_100000207505_100011218213 [0,1,0,1,0,0|2,0,0]=4 12509 B10R1.11 CSCN(C)C1CCCC1 269982a_100000207505_100011218213 [0,1,0,1,0,0|2,0,0]=4 12510 B10R1.11 CSCN(C)C1CCCC1 34a_100000207505_100011218213 [0,1,0,1,0,0|2,0,0]=4 12511 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,1,0,0|0,0,2]=4 12512 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,1,0,0|0,0,2]=4 12513 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,1,0,0|0,0,2]=4 12514 B10R1.11 [13CH3]N(CCO)C1CCCC1 269982a_200000200444_200025704644 [0,1,0,1,0,0|2,0,0]=4 12515 B10R1.11 [13CH3]N(CCO)C1CCCC1 34a_200000200444_200025704644 [0,1,0,1,0,0|2,0,0]=4 12516 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|0,0,2]=4 12517 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|0,0,2]=4 12518 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|0,0,2]=4 12519 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|0,0,2]=4 12520 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|0,0,2]=4 12521 B10R1.21 BrCCCOC1CCOC1 34a_100011217188_100000690089 [0,1,0,1,0,0|2,0,0]=4 12522 B10R1.21 BrCCOCC1CCOC1 34a_100000211926_100011261433 [0,1,0,1,0,0|2,0,0]=4 12523 B10R1.21 BrCCOCC1OCCO1 34a_100000211926_100000755774 [0,1,0,1,0,0|2,0,0]=4 12524 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [0,1,0,1,0,0|2,0,0]=4 12525 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [0,1,0,1,0,0|2,0,0]=4 12526 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [0,1,0,1,0,0|1,1,0]=4 12527 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [0,1,0,1,0,0|1,1,0]=4 12528 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [0,1,0,1,0,0|2,0,0]=4 12529 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [0,1,0,1,0,0|2,0,0]=4 12530 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [0,1,0,1,0,0|2,0,0]=4 12531 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [0,1,0,1,0,0|2,0,0]=4 12532 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [0,1,0,1,0,0|2,0,0]=4 12533 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [0,1,0,1,0,0|1,0,0]=3 12534 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [0,1,0,1,0,0|1,0,0]=3 12535 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [0,1,0,1,0,0|1,0,0]=3 12536 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [0,1,0,1,0,0|1,1,0]=4 12537 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [0,1,0,1,0,0|1,0,0]=3 12538 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [0,1,0,1,0,0|1,0,0]=3 12539 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [0,1,0,1,0,0|1,0,0]=3 12540 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [0,1,0,1,0,0|2,0,0]=4 12541 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [0,1,0,1,0,0|2,0,0]=4 12542 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [0,1,0,1,0,0|2,0,0]=4 12543 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [0,1,0,1,0,0|2,0,0]=4 12544 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,1,0,1,0,0|1,0,0]=3 12545 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [0,1,0,1,0,0|1,0,0]=3 12546 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [0,1,0,1,0,0|1,0,0]=3 12547 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [0,1,0,1,0,0|1,1,0]=4 12548 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [0,1,0,1,0,0|1,0,0]=3 12549 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [0,1,0,1,0,0|2,0,0]=4 12550 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [0,1,0,1,0,0|2,0,0]=4 12551 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [0,1,0,1,0,0|1,0,0]=3 12552 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [0,1,0,1,0,0|2,0,0]=4 12553 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [0,1,0,1,0,0|2,0,0]=4 12554 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [0,1,0,1,0,0|2,0,0]=4 12555 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [0,1,0,1,0,0|1,0,0]=3 12556 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [0,1,0,1,0,0|1,0,0]=3 12557 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [0,1,0,1,0,0|1,0,0]=3 12558 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [0,1,0,1,0,0|1,0,0]=3 12559 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,1,0,1,0,0|1,0,0]=3 12560 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,1,0,1,0,0|1,0,0]=3 12561 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,1,0,1,0,0|2,0,0]=4 12562 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,1,0,1,0,0|2,0,0]=4 12563 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,1,0,1,0,0|2,0,0]=4 12564 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,1,0,1,0,0|1,0,0]=3 12565 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,1,0,1,0,0|1,0,0]=3 12566 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [0,1,0,1,0,0|2,0,0]=4 12567 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [0,1,0,1,0,0|1,0,0]=3 12568 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [0,1,0,1,0,0|1,0,0]=3 12569 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [0,1,0,1,0,0|1,0,0]=3 12570 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [0,1,0,1,0,0|1,0,0]=3 12571 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [0,1,0,1,0,0|1,0,0]=3 12572 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [0,1,0,1,0,0|2,0,0]=4 12573 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [0,1,0,1,0,0|2,0,0]=4 12574 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [0,1,0,1,0,0|2,0,0]=4 12575 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,1,0,1,0,0|1,0,0]=3 12576 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,1,0,1,0,0|1,0,0]=3 12577 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [0,1,0,1,0,0|1,0,0]=3 12578 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [0,1,0,1,0,0|1,0,0]=3 12579 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [0,1,0,1,0,0|1,0,0]=3 12580 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [0,1,0,1,0,0|1,0,0]=3 12581 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [0,1,0,1,0,0|2,0,0]=4 12582 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [0,1,0,1,0,0|2,0,0]=4 12583 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [0,1,0,1,0,0|2,0,0]=4 12584 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [0,1,0,1,0,0|1,0,0]=3 12585 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [0,1,0,1,0,0|1,0,0]=3 12586 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [0,1,0,1,0,0|1,0,0]=3 12587 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [0,1,0,1,0,0|2,0,0]=4 12588 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [0,1,0,1,0,0|2,0,0]=4 12589 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [0,1,0,1,0,0|2,0,0]=4 12590 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [0,1,0,1,0,0|2,0,0]=4 12591 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [0,1,0,1,0,0|1,0,0]=3 12592 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [0,1,0,1,0,0|1,0,0]=3 12593 B10R1.21 CCOCSC1CCOC1 62a_100000739092_100000690089 [0,1,0,1,0,0|2,0,0]=4 12594 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [0,1,0,1,0,0|2,0,0]=4 12595 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [0,1,0,1,0,0|2,0,0]=4 12596 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [0,1,0,1,0,0|1,0,0]=3 12597 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [0,1,0,1,0,0|2,0,0]=4 12598 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [0,1,0,1,0,0|2,0,0]=4 12599 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [0,1,0,1,0,0|2,0,0]=4 12600 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [0,1,0,1,0,0|2,0,0]=4 12601 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [0,1,0,1,0,0|2,0,0]=4 12602 B10R1.21 CNCCCC1OCCO1 2230a_106832991635_100000042513 [0,1,0,1,0,0|1,0,0]=3 12603 B10R1.21 CNCCCC1OCCO1 34a_100102657272_100009861162 [0,1,0,1,0,0|1,0,0]=3 12604 B10R1.21 CNCCCC1OCCO1 7a_106832991635_100000042513 [0,1,0,1,0,0|1,0,0]=3 12605 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [0,1,0,1,0,0|2,0,0]=4 12606 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [0,1,0,1,0,0|2,0,0]=4 12607 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [0,1,0,1,0,0|2,0,0]=4 12608 B10R1.21 COCCCC1OCCO1 34a_100009871617_200000210301 [0,1,0,1,0,0|1,0,0]=3 12609 B10R1.21 COCCCC1OCCO1 34a_100138415774_100009861162 [0,1,0,1,0,0|1,0,0]=3 12610 B10R1.21 COCCCC1OCCO1 7a_100009871617_200000210301 [0,1,0,1,0,0|1,0,0]=3 12611 B10R1.21 COCCNC1CCOC1 2230a_100000209980_100000731011 [0,1,0,1,0,0|2,0,0]=4 12612 B10R1.21 COCCNC1CCOC1 270004a_100000209980_100000752484 [0,1,0,1,0,0|2,0,0]=4 12613 B10R1.21 COCCN[C@@H]1CCOC1 2230a_200015188469_100011201679 [0,1,0,1,0,0|2,0,0]=4 12614 B10R1.21 COCCN[C@H]1CCOC1 2230a_100015188467_100011201679 [0,1,0,1,0,0|2,0,0]=4 12615 B10R1.21 COCCN[C@H]1CCOC1 34a_100015188467_100011201679 [0,1,0,1,0,0|2,0,0]=4 12616 B10R1.21 COCCOC1CCCO1 34a_100000085407_100011201679 [0,1,0,1,0,0|2,0,0]=4 12617 B10R1.21 COCCOC1CCOC1 34a_100000210237_100000690089 [0,1,0,1,0,0|2,0,0]=4 12618 B10R1.21 COCCO[C@H]1CCOC1 34a_100000717292_100011201679 [0,1,0,1,0,0|2,0,0]=4 12619 B10R1.21 COCCSC1CCOC1 62a_100000233755_100000690089 [0,1,0,1,0,0|2,0,0]=4 12620 B10R1.21 COCNCC1CCOC1 2230a_100000737293_100000766300 [0,1,0,1,0,0|2,0,0]=4 12621 B10R1.21 COCNCC1OCCO1 2230a_100000036311_100000766300 [0,1,0,1,0,0|2,0,0]=4 12622 B10R1.21 COCNC[C@@H]1CCCO1 2230a_100020590478_100000766300 [0,1,0,1,0,0|2,0,0]=4 12623 B10R1.21 COCSCC1CCCO1 62a_100000203698_100000766300 [0,1,0,1,0,0|2,0,0]=4 12624 B10R1.21 COCSCC1CCCO1 62a_100000766300_100000203698 [0,1,0,1,0,0|2,0,0]=4 12625 B10R1.21 COCSCC1CCOC1 62a_100000702531_100000766300 [0,1,0,1,0,0|2,0,0]=4 12626 B10R1.21 COCSCC1CCOC1 62a_100000766300_100000702531 [0,1,0,1,0,0|2,0,0]=4 12627 B10R1.21 COCSCC1OCCO1 62a_100000755774_100000766300 [0,1,0,1,0,0|2,0,0]=4 12628 B10R1.21 COCSCC1OCCO1 62a_100000766300_100000755774 [0,1,0,1,0,0|2,0,0]=4 12629 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [0,1,0,1,0,0|2,0,0]=4 12630 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [0,1,0,1,0,0|2,0,0]=4 12631 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [0,1,0,1,0,0|1,0,0]=3 12632 B10R1.21 CSCCNC1CCOC1 2230a_100020590264_100000731011 [0,1,0,1,0,0|2,0,0]=4 12633 B10R1.21 CSCCNC1CCOC1 270004a_100020590264_100000752484 [0,1,0,1,0,0|2,0,0]=4 12634 B10R1.21 CSCCN[C@@H]1CCOC1 2230a_200015188469_100000751147 [0,1,0,1,0,0|2,0,0]=4 12635 B10R1.21 CSCCN[C@H]1CCOC1 2230a_100015188467_100000751147 [0,1,0,1,0,0|2,0,0]=4 12636 B10R1.21 CSCCN[C@H]1CCOC1 34a_100015188467_100000212216 [0,1,0,1,0,0|2,0,0]=4 12637 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [0,1,0,1,0,0|2,0,0]=4 12638 B10R1.21 CSCCOC1CCOC1 34a_100000230434_100000690089 [0,1,0,1,0,0|2,0,0]=4 12639 B10R1.21 CSCCOC1CCOC1 7a_100000230434_100000731011 [0,1,0,1,0,0|2,0,0]=4 12640 B10R1.21 CSCCO[C@H]1CCOC1 34a_100000717292_100000212216 [0,1,0,1,0,0|2,0,0]=4 12641 B10R1.21 CSCCSC1CCOC1 62a_100000212216_100000690089 [0,1,0,1,0,0|2,0,0]=4 12642 B10R1.21 CSCNCC1CCOC1 2230a_100000737293_100011218213 [0,1,0,1,0,0|2,0,0]=4 12643 B10R1.21 CSCNCC1CCOC1 34a_100000737293_100011218213 [0,1,0,1,0,0|2,0,0]=4 12644 B10R1.21 CSCNCC1OCCO1 2230a_100000036311_100011218213 [0,1,0,1,0,0|2,0,0]=4 12645 B10R1.21 CSCNCC1OCCO1 34a_100000036311_100011218213 [0,1,0,1,0,0|2,0,0]=4 12646 B10R1.21 CSCNC[C@@H]1CCCO1 2230a_100020590478_100011218213 [0,1,0,1,0,0|2,0,0]=4 12647 B10R1.21 CSCNC[C@@H]1CCCO1 34a_100020590478_100011218213 [0,1,0,1,0,0|2,0,0]=4 12648 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [0,1,0,1,0,0|2,0,0]=4 12649 B10R1.21 CSCOCC1CCOC1 34a_100000740260_100011218213 [0,1,0,1,0,0|2,0,0]=4 12650 B10R1.21 CSCOCC1COCO1 34a_100011216627_100011218213 [0,1,0,1,0,0|2,0,0]=4 12651 B10R1.21 CSCOCC1OCCO1 34a_100000087154_100011218213 [0,1,0,1,0,0|2,0,0]=4 12652 B10R1.21 CSCSCC1CCCO1 62a_100000203698_100011218213 [0,1,0,1,0,0|2,0,0]=4 12653 B10R1.21 CSCSCC1CCCO1 62a_100011218213_100000203698 [0,1,0,1,0,0|2,0,0]=4 12654 B10R1.21 CSCSCC1CCOC1 62a_100000702531_100011218213 [0,1,0,1,0,0|2,0,0]=4 12655 B10R1.21 CSCSCC1CCOC1 62a_100011218213_100000702531 [0,1,0,1,0,0|2,0,0]=4 12656 B10R1.21 CSCSCC1OCCO1 62a_100000755774_100011218213 [0,1,0,1,0,0|2,0,0]=4 12657 B10R1.21 CSCSCC1OCCO1 62a_100011218213_100000755774 [0,1,0,1,0,0|2,0,0]=4 12658 B10R1.21 ClCCCOC1CCOC1 34a_100000230001_100000690089 [0,1,0,1,0,0|2,0,0]=4 12659 B10R1.21 FCCCNC1CCOC1 2230a_100015189416_100000731011 [0,1,0,1,0,0|2,0,0]=4 12660 B10R1.21 FCCCNC1CCOC1 270004a_100015189416_100000752484 [0,1,0,1,0,0|2,0,0]=4 12661 B10R1.21 FCCCNC1CCOC1 34a_100015189416_100000690089 [0,1,0,1,0,0|2,0,0]=4 12662 B10R1.21 FCCCN[C@@H]1CCOC1 2230a_200015188469_100011934791 [0,1,0,1,0,0|2,0,0]=4 12663 B10R1.21 FCCCN[C@H]1CCOC1 2230a_100015188467_100011934791 [0,1,0,1,0,0|2,0,0]=4 12664 B10R1.21 FCCCN[C@H]1CCOC1 34a_100015188467_100011934791 [0,1,0,1,0,0|2,0,0]=4 12665 B10R1.21 FCCCOC1CCCO1 34a_100000085407_100011934791 [0,1,0,1,0,0|2,0,0]=4 12666 B10R1.21 FCCCOC1CCOC1 34a_100000759539_100000690089 [0,1,0,1,0,0|2,0,0]=4 12667 B10R1.21 FCCCO[C@H]1CCOC1 34a_100000717292_100011934791 [0,1,0,1,0,0|2,0,0]=4 12668 B10R1.21 FCCCSC1CCOC1 62a_100011934791_100000690089 [0,1,0,1,0,0|2,0,0]=4 12669 B10R1.21 FCCNCC1CCOC1 2230a_100000737293_100011217306 [0,1,0,1,0,0|2,0,0]=4 12670 B10R1.21 FCCNCC1CCOC1 34a_100000724931_100011261433 [0,1,0,1,0,0|2,0,0]=4 12671 B10R1.21 FCCNCC1CCOC1 34a_100000737293_100011217306 [0,1,0,1,0,0|2,0,0]=4 12672 B10R1.21 FCCNCC1OCCO1 2230a_100000036311_100011217306 [0,1,0,1,0,0|2,0,0]=4 12673 B10R1.21 FCCNCC1OCCO1 34a_100000036311_100011217306 [0,1,0,1,0,0|2,0,0]=4 12674 B10R1.21 FCCNCC1OCCO1 34a_100000724931_100000755774 [0,1,0,1,0,0|2,0,0]=4 12675 B10R1.21 FCCNC[C@@H]1CCCO1 2230a_100020590478_100011217306 [0,1,0,1,0,0|2,0,0]=4 12676 B10R1.21 FCCNC[C@@H]1CCCO1 34a_100020590478_100011217306 [0,1,0,1,0,0|2,0,0]=4 12677 B10R1.21 FCCOCC1CCCO1 34a_100000210270_100011217306 [0,1,0,1,0,0|2,0,0]=4 12678 B10R1.21 FCCOCC1CCCO1 7a_100000210270_100011217306 [0,1,0,1,0,0|2,0,0]=4 12679 B10R1.21 FCCOCC1CCOC1 34a_100000740260_100011217306 [0,1,0,1,0,0|2,0,0]=4 12680 B10R1.21 FCCOCC1COCO1 34a_100011216627_100011217306 [0,1,0,1,0,0|2,0,0]=4 12681 B10R1.21 FCCOCC1OCCO1 34a_100000087154_100011217306 [0,1,0,1,0,0|2,0,0]=4 12682 B10R1.21 FCCSCC1CCCO1 62a_100000203698_100011217306 [0,1,0,1,0,0|2,0,0]=4 12683 B10R1.21 FCCSCC1CCCO1 62a_100011217306_100000203698 [0,1,0,1,0,0|2,0,0]=4 12684 B10R1.21 FCCSCC1CCOC1 62a_100000702531_100011217306 [0,1,0,1,0,0|2,0,0]=4 12685 B10R1.21 FCCSCC1CCOC1 62a_100011217306_100000702531 [0,1,0,1,0,0|2,0,0]=4 12686 B10R1.21 FCCSCC1OCCO1 62a_100000755774_100011217306 [0,1,0,1,0,0|2,0,0]=4 12687 B10R1.21 FCCSCC1OCCO1 62a_100011217306_100000755774 [0,1,0,1,0,0|2,0,0]=4 12688 B10R1.21 FCNCCC1OCCO1 34a_100000034215_100015361967 [0,1,0,1,0,0|2,0,0]=4 12689 B10R1.21 FCOCCC1CCOC1 34a_100011879284_100015361967 [0,1,0,1,0,0|2,0,0]=4 12690 B10R1.21 FCSCCC1OCCO1 62a_100015361967_100000740749 [0,1,0,1,0,0|2,0,0]=4 12691 B10R1.21 NCCCOC1CCOC1 34a_100000182051_100000690089 [0,1,0,1,0,0|2,0,0]=4 12692 B10R1.21 NCCOCC1CCOC1 34a_100000210304_100011261433 [0,1,0,1,0,0|2,0,0]=4 12693 B10R1.21 NCCOCC1OCCO1 34a_100000210304_100000755774 [0,1,0,1,0,0|2,0,0]=4 12694 B10R1.21 OCCCNC1CCOC1 270004a_100000182051_100000752484 [0,1,0,1,0,0|2,0,0]=4 12695 B10R1.21 OCCCN[C@@H]1CCOC1 2230a_200015188469_100000230001 [0,1,0,1,0,0|2,0,0]=4 12696 B10R1.21 OCCCN[C@H]1CCOC1 2230a_100015188467_100000230001 [0,1,0,1,0,0|2,0,0]=4 12697 B10R1.21 OCCCN[C@H]1CCOC1 34a_100015188467_100000230001 [0,1,0,1,0,0|2,0,0]=4 12698 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [0,1,0,1,0,0|2,0,0]=4 12699 B10R1.21 OCCCO[C@H]1CCOC1 34a_100000717292_100000230001 [0,1,0,1,0,0|2,0,0]=4 12700 B10R1.21 OCCCSC1CCOC1 62a_100011215043_100000690089 [0,1,0,1,0,0|2,0,0]=4 12701 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [0,1,0,1,0,0|2,0,0]=4 12702 B10R1.21 OCCNCC1CCOC1 2230a_100000737293_100000211926 [0,1,0,1,0,0|2,0,0]=4 12703 B10R1.21 OCCNCC1CCOC1 2230a_100016997473_100000702531 [0,1,0,1,0,0|2,0,0]=4 12704 B10R1.21 OCCNCC1CCOC1 34a_100000737293_100000211926 [0,1,0,1,0,0|2,0,0]=4 12705 B10R1.21 OCCNCC1CCOC1 34a_100016990907_100011261433 [0,1,0,1,0,0|2,0,0]=4 12706 B10R1.21 OCCNCC1OCCO1 2230a_100000036311_100000211926 [0,1,0,1,0,0|2,0,0]=4 12707 B10R1.21 OCCNCC1OCCO1 2230a_100016997473_100000755774 [0,1,0,1,0,0|2,0,0]=4 12708 B10R1.21 OCCNCC1OCCO1 34a_100000036311_100000211926 [0,1,0,1,0,0|2,0,0]=4 12709 B10R1.21 OCCNCC1OCCO1 34a_100016990907_100000755774 [0,1,0,1,0,0|2,0,0]=4 12710 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [0,1,0,1,0,0|2,0,0]=4 12711 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [0,1,0,1,0,0|2,0,0]=4 12712 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [0,1,0,1,0,0|2,0,0]=4 12713 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [0,1,0,1,0,0|2,0,0]=4 12714 B10R1.21 OCCOCC1CCOC1 34a_100000740260_100000211926 [0,1,0,1,0,0|2,0,0]=4 12715 B10R1.21 OCCOCC1COCO1 34a_100011216627_100000211926 [0,1,0,1,0,0|2,0,0]=4 12716 B10R1.21 OCCOCC1OCCO1 34a_100000087154_100000211926 [0,1,0,1,0,0|2,0,0]=4 12717 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [0,1,0,1,0,0|2,0,0]=4 12718 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [0,1,0,1,0,0|2,0,0]=4 12719 B10R1.21 OCCSCC1CCOC1 62a_100000211926_100000702531 [0,1,0,1,0,0|2,0,0]=4 12720 B10R1.21 OCCSCC1CCOC1 62a_100000702531_100000211926 [0,1,0,1,0,0|2,0,0]=4 12721 B10R1.21 OCCSCC1OCCO1 62a_100000211926_100000755774 [0,1,0,1,0,0|2,0,0]=4 12722 B10R1.21 OCCSCC1OCCO1 62a_100000755774_100000211926 [0,1,0,1,0,0|2,0,0]=4 12723 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [0,1,0,1,0,0|2,0,0]=4 12724 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [0,1,0,1,0,0|2,0,0]=4 12725 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [0,1,0,1,0,0|2,0,0]=4 12726 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [0,1,0,1,0,0|2,0,0]=4 12727 B10R1.21 [13CH3]OCCCC1OCCO1 34a_100009871617_200025704644 [0,1,0,1,0,0|1,0,0]=3 12728 B10R1.21 [13CH3]OCCCC1OCCO1 7a_100009871617_200025704644 [0,1,0,1,0,0|1,0,0]=3 12729 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [0,1,0,1,0,0|2,0,0]=4 12730 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [0,1,0,1,0,0|2,0,0]=4 12731 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [0,1,0,1,0,0|1,0,0]=3 12732 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [0,1,0,1,0,0|2,0,0]=4 12733 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [0,1,0,1,0,0|2,0,0]=4 12734 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [0,1,0,1,0,0|2,0,0]=4 12735 B10R1.24 CCCCCN1CC(C1)F 2230a_100000690557_100000210326 [0,1,0,1,0,0|2,0,0]=4 12736 B10R1.24 CCCCCN1CC(C1)F 269982a_100000690557_100000210215 [0,1,0,1,0,0|2,0,0]=4 12737 B10R1.24 CCCCCN1CC(C1)F 34a_100000690557_100000718602 [0,1,0,1,0,0|2,0,0]=4 12738 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [0,1,0,1,0,0|2,0,0]=4 12739 B10R1.24 CCCCNC1CC(C1)F 2230a_100016993743_100000210211 [0,1,0,1,0,0|2,0,0]=4 12740 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210211 [0,1,0,1,0,0|2,0,0]=4 12741 B10R1.24 CCCNCC1CC(C1)O 2230a_100016992100_100000210303 [0,1,0,1,0,0|2,0,0]=4 12742 B10R1.24 CCCOCC1CC(C1)Cl 34a_100009874164_100000210303 [0,1,0,1,0,0|2,0,0]=4 12743 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [0,1,0,1,0,0|2,0,0]=4 12744 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [0,1,0,1,0,0|2,0,0]=4 12745 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [0,1,0,1,0,0|2,0,0]=4 12746 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [0,1,0,1,0,0|2,0,0]=4 12747 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [0,1,0,1,0,0|2,0,0]=4 12748 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [0,1,0,1,0,0|2,0,0]=4 12749 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [0,1,0,1,0,0|2,0,0]=4 12750 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [0,1,0,1,0,0|2,0,0]=4 12751 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [0,1,0,1,0,0|2,0,0]=4 12752 B10R1.29 CCCCN1CCSC1C 2230a_200011216479_100000210211 [0,1,0,1,0,0|2,0,0]=4 12753 B10R1.29 CCCCN1CCSC1C 269982a_200011216479_100000210211 [0,1,0,1,0,0|2,0,0]=4 12754 B10R1.29 CCCCN1CCSC1C 34a_200011216479_100000210210 [0,1,0,1,0,0|2,0,0]=4 12755 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [0,1,0,1,0,0|2,0,0]=4 12756 B10R1.29 CCCNC1CCOC1C 270004a_100020643023_100000691750 [0,1,0,1,0,0|2,0,0]=4 12757 B10R1.29 CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210303 [0,1,0,1,0,0|1,0,0]=3 12758 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,1,0,1,0,0|2,0,0]=4 12759 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,1,0,1,0,0|2,0,0]=4 12760 B10R1.29 CCCOC1COCC1O 34a_100000210258_200000725654 [0,1,0,1,0,0|1,0,0]=3 12761 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [0,1,0,1,0,0|2,0,0]=4 12762 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [0,1,0,1,0,0|2,0,0]=4 12763 B10R1.29 CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210303 [0,1,0,1,0,0|2,0,0]=4 12764 B10R1.29 CCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210303 [0,1,0,1,0,0|2,0,0]=4 12765 B10R1.29 CCCSC1COCC1O 62a_100000210303_200000725654 [0,1,0,1,0,0|1,0,0]=3 12766 B10R1.29 CCCSC1COCC1O 62a_200000725654_100000210303 [0,1,0,1,0,0|1,0,0]=3 12767 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,1,0,1,0,0|1,0,0]=3 12768 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,1,0,1,0,0|1,0,0]=3 12769 B10R1.29 COCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000766300 [0,1,0,1,0,0|2,0,0]=4 12770 B10R1.29 COCSC1COCC1O 62a_100000766300_200000725654 [0,1,0,1,0,0|2,0,0]=4 12771 B10R1.29 COCSC1COCC1O 62a_200000725654_100000766300 [0,1,0,1,0,0|2,0,0]=4 12772 B10R1.29 COCS[C@@H]1CCC[C@H]1O 62a_100000766300_200016002552 [0,1,0,1,0,0|2,0,0]=4 12773 B10R1.29 COCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000766300 [0,1,0,1,0,0|2,0,0]=4 12774 B10R1.29 CSCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011218213 [0,1,0,1,0,0|2,0,0]=4 12775 B10R1.29 CSCSC1COCC1O 62a_100011218213_200000725654 [0,1,0,1,0,0|2,0,0]=4 12776 B10R1.29 CSCSC1COCC1O 62a_200000725654_100011218213 [0,1,0,1,0,0|2,0,0]=4 12777 B10R1.29 CSCS[C@@H]1CCC[C@H]1O 62a_100011218213_200016002552 [0,1,0,1,0,0|2,0,0]=4 12778 B10R1.29 CSCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218213 [0,1,0,1,0,0|2,0,0]=4 12779 B10R1.29 NCCOC1COCC1O 34a_100000210304_200000725654 [0,1,0,1,0,0|2,0,0]=4 12780 B10R1.29 OC1COCC1NCCF 34a_100000724931_200000725654 [0,1,0,1,0,0|2,0,0]=4 12781 B10R1.29 OC1COCC1OCCBr 34a_100000211926_200000725654 [0,1,0,1,0,0|2,0,0]=4 12782 B10R1.29 OC1COCC1SCCF 62a_100011217306_200000725654 [0,1,0,1,0,0|2,0,0]=4 12783 B10R1.29 OC1COCC1SCCF 62a_200000725654_100011217306 [0,1,0,1,0,0|2,0,0]=4 12784 B10R1.29 OCCNC1COCC1O 34a_100016990907_200000725654 [0,1,0,1,0,0|2,0,0]=4 12785 B10R1.29 OCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000211926 [0,1,0,1,0,0|2,0,0]=4 12786 B10R1.29 OCCSC1COCC1O 62a_100000211926_200000725654 [0,1,0,1,0,0|2,0,0]=4 12787 B10R1.29 OCCSC1COCC1O 62a_200000725654_100000211926 [0,1,0,1,0,0|2,0,0]=4 12788 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_100000211926_200016002552 [0,1,0,1,0,0|2,0,0]=4 12789 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211926 [0,1,0,1,0,0|2,0,0]=4 12790 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_100011217306_200016002552 [0,1,0,1,0,0|2,0,0]=4 12791 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_200016002552_100011217306 [0,1,0,1,0,0|2,0,0]=4 12792 B10R1.29 O[C@H]1COC[C@@H]1NCCF 2230a_100015191717_100011217306 [0,1,0,1,0,0|2,0,0]=4 12793 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 12794 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 12795 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 12796 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 12797 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 12798 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 12799 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [0,1,0,1,0,0|2,0,0]=4 12800 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [0,1,0,1,0,0|2,0,0]=4 12801 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [0,1,0,1,0,0|2,0,0]=4 12802 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,1,0,1,0,0|1,0,0]=3 12803 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,1,0,1,0,0|1,0,0]=3 12804 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,1,0,1,0,0|1,0,0]=3 12805 B10R1.85 CCNC1CCCNCC1 270004a_100015525214_100015187895 [0,1,0,1,0,0|2,0,0]=4 12806 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,1,0,1,0,0|1,0,0]=3 12807 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,1,0,1,0,0|1,0,0]=3 12808 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,1,0,1,0,0|1,0,0]=3 12809 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,1,0,1,0,0|1,0,0]=3 12810 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,1,0,1,0,0|1,0,0]=3 12811 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [0,1,0,1,0,0|1,0,0]=3 12812 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [0,1,0,1,0,0|1,0,0]=3 12813 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [0,1,0,1,0,0|1,0,0]=3 12814 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [0,1,0,1,0,0|1,0,0]=3 12815 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [0,1,0,1,0,0|1,0,0]=3 12816 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [0,1,0,1,0,0|1,0,0]=3 12817 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,1,0,1,0,0|1,0,0]=3 12818 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,1,0,1,0,0|1,0,0]=3 12819 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,1,0,1,0,0|1,0,0]=3 12820 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [0,1,0,1,0,0|2,0,0]=4 12821 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [0,1,0,1,0,0|2,0,0]=4 12822 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [0,1,0,1,0,0|1,0,0]=3 12823 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [0,1,0,1,0,0|1,0,0]=3 12824 B10R1.85 CSCN1CCCCCC1 2230a_100000185865_100011218213 [0,1,0,1,0,0|2,0,0]=4 12825 B10R1.85 CSCN1CCCCCC1 269982a_100000185865_100011218213 [0,1,0,1,0,0|2,0,0]=4 12826 B10R1.85 CSCN1CCCCCC1 34a_100000185865_100011218213 [0,1,0,1,0,0|2,0,0]=4 12827 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [0,1,0,1,0,0|2,0,0]=4 12828 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [0,1,0,1,0,0|2,0,0]=4 12829 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [0,1,0,1,0,0|2,0,0]=4 12830 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [0,1,0,1,0,0|2,0,0]=4 12831 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,1,0,1,0,0|2,0,0]=4 12832 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,1,0,1,0,0|2,0,0]=4 12833 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [0,1,0,1,0,0|2,0,0]=4 12834 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [0,1,0,1,0,0|2,0,0]=4 12835 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,1,0,1,0,0|2,0,0]=4 12836 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,1,0,1,0,0|2,0,0]=4 12837 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,1,0,1,0,0|2,0,0]=4 12838 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [0,1,0,1,0,0|1,0,0]=3 12839 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [0,1,0,1,0,0|1,0,0]=3 12840 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,1,0,1,0,0|1,0,0]=3 12841 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,1,0,1,0,0|1,0,0]=3 12842 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [0,1,0,1,0,0|1,0,0]=3 12843 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [0,1,0,1,0,0|1,0,0]=3 12844 B10R1.92 CCCN1CC(C1)COC 2230a_100016993750_100000210303 [0,1,0,1,0,0|2,0,0]=4 12845 B10R1.92 CCCN1CC(C1)COC 269982a_100016993750_100000210303 [0,1,0,1,0,0|2,0,0]=4 12846 B10R1.92 CCCN1CC(C1)COC 34a_100016993750_100000210303 [0,1,0,1,0,0|2,0,0]=4 12847 B10R1.92 CCCN1CC(C1)OCC 269982a_100000732654_100000210303 [0,1,0,1,0,0|2,0,0]=4 12848 B10R1.92 CCCN1CC(C1)OCC 34a_100000732654_100000210303 [0,1,0,1,0,0|2,0,0]=4 12849 B10R1.92 CCNC1CC(C1)COC 2230a_100012180050_100000210202 [0,1,0,1,0,0|2,0,0]=4 12850 B10R1.92 CCNC1CC(C1)COC 270004a_100015525214_100010371266 [0,1,0,1,0,0|2,0,0]=4 12851 B10R1.96 CCC1=NOC(C1)CNC 2230a_100015184091_200000210301 [0,1,0,1,0,0|1,0,1]=4 12852 B10R1.96 CCC1=NOC(C1)CNC 34a_100102657272_200009817039 [0,1,0,1,0,0|1,0,1]=4 12853 B10R1.96 CCC1=NOC(C1)CNC 7a_106832991635_200009817039 [0,1,0,1,0,0|1,0,1]=4 12854 B10R1.96 CCC1=NOC(C1)CN[13CH3] 2230a_100015184091_200025704644 [0,1,0,1,0,0|1,0,1]=4 12855 B10R1.96 CCC1=NOC(C1)COC 34a_100138415774_200009817039 [0,1,0,1,0,0|1,0,1]=4 12856 B10R1.96 CCC1=NOC(C1)CSC 62a_200000210301_200009817039 [0,1,0,1,0,0|1,0,1]=4 12857 B10R1.96 CCC1=NOC(C1)CSC 62a_200009817039_200000210301 [0,1,0,1,0,0|1,0,1]=4 12858 B10R1.96 CCC1=NOC(C1)CS[13CH3] 62a_200009817039_200025704644 [0,1,0,1,0,0|1,0,1]=4 12859 B10R1.96 CCC1=NOC(C1)CS[13CH3] 62a_200025704644_200009817039 [0,1,0,1,0,0|1,0,1]=4 12860 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [0,1,0,1,0,0|1,0,0]=3 12861 B10R1.96 CCCN1CCC(C1)C#N 2230a_100016989334_100000210303 [0,1,0,1,0,0|2,0,0]=4 12862 B10R1.96 CCCN1CCC(C1)CO 2230a_100000748654_100000210303 [0,1,0,1,0,0|1,0,0]=3 12863 B10R1.96 CCCN1CCC(C1)CO 269982a_100000748654_100000210303 [0,1,0,1,0,0|1,0,0]=3 12864 B10R1.96 CCCN1CCC(C1)CO 34a_100000748654_100000210303 [0,1,0,1,0,0|1,0,0]=3 12865 B10R1.96 CCCN1CC[C@H](C1)OC 2230a_100000766984_100000210303 [0,1,0,1,0,0|1,0,0]=3 12866 B10R1.96 CCCN1CC[C@H](C1)OC 269982a_100000766984_100000210303 [0,1,0,1,0,0|1,0,0]=3 12867 B10R1.96 CCN1CCC(C1)CCO 2230a_100016987287_100000210202 [0,1,0,1,0,0|2,0,0]=4 12868 B10R1.96 CCN1CCC(C1)CCO 269982a_100016987287_100000204670 [0,1,0,1,0,0|2,0,0]=4 12869 B10R1.96 CCN1CCC(C1)CCO 34a_100016987287_100000210202 [0,1,0,1,0,0|2,0,0]=4 12870 B10R1.96 CCN1CCC(C1)CNC 2230a_100011224064_200000210301 [0,1,0,1,0,0|2,0,0]=4 12871 B10R1.96 CCN1CCC(C1)CNC 2230a_106832991635_100015184589 [0,1,0,1,0,0|2,0,0]=4 12872 B10R1.96 CCN1CCC(C1)CNC 7a_106832991635_100015184589 [0,1,0,1,0,0|2,0,0]=4 12873 B10R1.96 CCN1CCC(C1)CN[13CH3] 2230a_100011224064_200025704644 [0,1,0,1,0,0|2,0,0]=4 12874 B10R1.96 CCN1CCC(C1)COC 2230a_100025706693_100000210202 [0,1,0,1,0,0|2,0,0]=4 12875 B10R1.96 CCN1CCC(C1)COC 269982a_100025706693_100000204670 [0,1,0,1,0,0|2,0,0]=4 12876 B10R1.96 CCN1CCC(C1)COC 34a_100025706693_100000210202 [0,1,0,1,0,0|2,0,0]=4 12877 B10R1.96 CCN1CCC(C1)CSC 62a_100015184589_200000210301 [0,1,0,1,0,0|2,0,0]=4 12878 B10R1.96 CCN1CCC(C1)CSC 62a_200000210301_100015184589 [0,1,0,1,0,0|2,0,0]=4 12879 B10R1.96 CCN1CCC(C1)CS[13CH3] 62a_100015184589_200025704644 [0,1,0,1,0,0|2,0,0]=4 12880 B10R1.96 CCN1CCC(C1)CS[13CH3] 62a_200025704644_100015184589 [0,1,0,1,0,0|2,0,0]=4 12881 B10R1.96 CCNC1CCC(C1)C#N 270004a_100015525214_100000717688 [0,1,0,1,0,0|2,0,0]=4 12882 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [0,1,0,1,0,0|1,0,0]=3 12883 B10R1.96 CCNC1CCN(C1)CC 2230a_100015188829_100000210202 [0,1,0,1,0,0|2,0,0]=4 12884 B10R1.96 CCO[C@H]1CCN(C1)CC 2230a_100011787710_100000210202 [0,1,0,1,0,0|2,0,0]=4 12885 B10R1.96 CCO[C@H]1CCN(C1)CC 269982a_100011787710_100000204670 [0,1,0,1,0,0|2,0,0]=4 12886 B10R1.96 CCO[C@H]1CCN(C1)CC 34a_100011787710_100000210202 [0,1,0,1,0,0|2,0,0]=4 12887 B10R1.96 CCSC1CCN(C1)CC 62a_100000210202_200011861547 [0,1,0,1,0,0|2,0,0]=4 12888 B10R1.96 CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200000210301 [0,1,0,1,0,0|1,0,0]=3 12889 B10R1.96 COCN1CCC(C1)CO 2230a_100000748654_100000766300 [0,1,0,1,0,0|2,0,0]=4 12890 B10R1.96 COCN1CCC(C1)CO 269982a_100000748654_100000766300 [0,1,0,1,0,0|2,0,0]=4 12891 B10R1.96 COCN1CC[C@H](C1)OC 2230a_100000766984_100000766300 [0,1,0,1,0,0|2,0,0]=4 12892 B10R1.96 COCN1CC[C@H](C1)OC 269982a_100000766984_100000766300 [0,1,0,1,0,0|2,0,0]=4 12893 B10R1.96 COC[C@H]1CC[C@H](C1)CN 34a_206354213956_200000210301 [0,1,0,1,0,0|2,0,0]=4 12894 B10R1.96 CO[C@@H]1CCN(C1)CCF 2230a_100000766984_100011217306 [0,1,0,1,0,0|2,0,0]=4 12895 B10R1.96 CO[C@@H]1CCN(C1)CCF 269982a_100000766984_100011217306 [0,1,0,1,0,0|2,0,0]=4 12896 B10R1.96 CO[C@@H]1CCN(C1)CCO 2230a_100000766984_100000211926 [0,1,0,1,0,0|2,0,0]=4 12897 B10R1.96 CO[C@@H]1CCN(C1)CCO 269982a_100000766984_100000211926 [0,1,0,1,0,0|2,0,0]=4 12898 B10R1.96 CO[C@@H]1CCN(C1)CSC 2230a_100000766984_100011218213 [0,1,0,1,0,0|2,0,0]=4 12899 B10R1.96 CO[C@@H]1CCN(C1)CSC 269982a_100000766984_100011218213 [0,1,0,1,0,0|2,0,0]=4 12900 B10R1.96 CSCN1CCC(C1)CO 2230a_100000748654_100011218213 [0,1,0,1,0,0|2,0,0]=4 12901 B10R1.96 CSCN1CCC(C1)CO 269982a_100000748654_100011218213 [0,1,0,1,0,0|2,0,0]=4 12902 B10R1.96 CSCN1CCC(C1)CO 34a_100000748654_100011218213 [0,1,0,1,0,0|2,0,0]=4 12903 B10R1.96 OCC1CCN(C1)CCF 2230a_100000748654_100011217306 [0,1,0,1,0,0|2,0,0]=4 12904 B10R1.96 OCC1CCN(C1)CCF 269982a_100000748654_100011217306 [0,1,0,1,0,0|2,0,0]=4 12905 B10R1.96 OCC1CCN(C1)CCF 34a_100000748654_100011217306 [0,1,0,1,0,0|2,0,0]=4 12906 B10R1.96 OCCN1CCC(C1)CO 2230a_100000748654_100000211926 [0,1,0,1,0,0|2,0,0]=4 12907 B10R1.96 OCCN1CCC(C1)CO 269982a_100000748654_100000211926 [0,1,0,1,0,0|2,0,0]=4 12908 B10R1.96 OCCN1CCC(C1)CO 34a_100000748654_100000211926 [0,1,0,1,0,0|2,0,0]=4 12909 B10R1.96 [13CH3]NC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200025704644 [0,1,0,1,0,0|1,0,0]=3 12910 B10R1.96 [13CH3]OC[C@H]1CC[C@H](C1)CN 34a_206354213956_200025704644 [0,1,0,1,0,0|2,0,0]=4 12911 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,1,0,1,0,0|0,0,2]=4 12912 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,1,0,1,0,0|0,0,2]=4 12913 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|0,0,2]=4 12914 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|0,0,2]=4 12915 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|0,0,2]=4 12916 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|0,0,2]=4 12917 B10R1.137 CC(CCBr)OC1CCC1 34a_100012276601_100000749161 [0,1,0,1,0,0|2,0,0]=4 12918 B10R1.137 CC(CCO)NC1CCC1 2230a_100000749019_100009893172 [0,1,0,1,0,0|2,0,0]=4 12919 B10R1.137 CC(CCO)NC1CCC1 34a_100000749019_100009893172 [0,1,0,1,0,0|2,0,0]=4 12920 B10R1.137 CC(CCO)OC1CCC1 34a_100000748187_100009893172 [0,1,0,1,0,0|2,0,0]=4 12921 B10R1.137 CC(CCO)SC1CCC1 62a_100009893172_100000749161 [0,1,0,1,0,0|2,0,0]=4 12922 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|0,0,2]=4 12923 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|0,0,2]=4 12924 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,1,0,1,0,0|0,0,1]=3 12925 B10R1.137 CCCC(C)CN1CCC1 269982a_100000754969_100011216630 [0,1,0,1,0,0|2,0,0]=4 12926 B10R1.137 CCCC(C)NC1CCC1 2230a_100000749019_100000766640 [0,1,0,1,0,0|2,0,0]=4 12927 B10R1.137 CCCC(C)NC1CCC1 270004a_100000741246_100000241760 [0,1,0,1,0,0|2,0,0]=4 12928 B10R1.137 CCCC(C)NC1CCC1 34a_100000749019_100000766640 [0,1,0,1,0,0|2,0,0]=4 12929 B10R1.137 CCCC(C)OC1CCC1 34a_100000748187_100000766640 [0,1,0,1,0,0|2,0,0]=4 12930 B10R1.137 CCCC(C)OC1CCC1 34a_100000764384_100000749161 [0,1,0,1,0,0|2,0,0]=4 12931 B10R1.137 CCCC(C)SC1CCC1 62a_100000766640_100000749161 [0,1,0,1,0,0|2,0,0]=4 12932 B10R1.137 CCCN(C)CC1CCC1 2230a_100000747261_100000763275 [0,1,0,1,0,0|2,0,0]=4 12933 B10R1.137 CCCN(C)CC1CCC1 2230a_200000750244_100000210303 [0,1,0,1,0,0|2,0,0]=4 12934 B10R1.137 CCCN(C)CC1CCC1 269982a_100000747261_100000763275 [0,1,0,1,0,0|2,0,0]=4 12935 B10R1.137 CCCN(C)CC1CCC1 269982a_200000750244_100000210303 [0,1,0,1,0,0|2,0,0]=4 12936 B10R1.137 CCCN(C)CC1CCC1 34a_200000750244_100000210303 [0,1,0,1,0,0|2,0,0]=4 12937 B10R1.137 CCCN(C)CC1CCO1 2230a_100000747261_100000103362 [0,1,0,1,0,0|1,0,0]=3 12938 B10R1.137 CCCN(C)CC1CCO1 269982a_100000747261_100000103362 [0,1,0,1,0,0|1,0,0]=3 12939 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|0,0,2]=4 12940 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|0,0,2]=4 12941 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|0,0,2]=4 12942 B10R1.137 CN(CCF)CC1CCC1 2230a_200000750244_100011217306 [0,1,0,1,0,0|2,0,0]=4 12943 B10R1.137 CN(CCF)CC1CCC1 269982a_200000750244_100011217306 [0,1,0,1,0,0|2,0,0]=4 12944 B10R1.137 CN(CCF)CC1CCC1 34a_200000750244_100011217306 [0,1,0,1,0,0|2,0,0]=4 12945 B10R1.137 CN(CCO)CC1CCC1 2230a_100000210263_100000763275 [0,1,0,1,0,0|2,0,0]=4 12946 B10R1.137 CN(CCO)CC1CCC1 2230a_200000750244_100000211926 [0,1,0,1,0,0|2,0,0]=4 12947 B10R1.137 CN(CCO)CC1CCC1 269982a_100000210263_100000763275 [0,1,0,1,0,0|2,0,0]=4 12948 B10R1.137 CN(CCO)CC1CCC1 269982a_200000750244_100000211926 [0,1,0,1,0,0|2,0,0]=4 12949 B10R1.137 CN(CCO)CC1CCC1 34a_200000750244_100000211926 [0,1,0,1,0,0|2,0,0]=4 12950 B10R1.137 CN(CCO)CC1CCO1 2230a_100000210263_100000103362 [0,1,0,1,0,0|2,0,0]=4 12951 B10R1.137 CN(CCO)CC1CCO1 269982a_100000210263_100000103362 [0,1,0,1,0,0|2,0,0]=4 12952 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,1,0,1,0,0|0,0,2]=4 12953 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,1,0,1,0,0|1,0,1]=4 12954 B10R1.137 COCC(C)NC1CCC1 2230a_100000749019_100000765312 [0,1,0,1,0,0|2,0,0]=4 12955 B10R1.137 COCC(C)NC1CCC1 34a_100000749019_100000765312 [0,1,0,1,0,0|2,0,0]=4 12956 B10R1.137 COCC(C)OC1CCC1 34a_100000748187_100000765312 [0,1,0,1,0,0|2,0,0]=4 12957 B10R1.137 COCC(C)SC1CCC1 62a_100000765312_100000749161 [0,1,0,1,0,0|2,0,0]=4 12958 B10R1.137 COCN(C)CC1CCC1 2230a_200000750244_100000766300 [0,1,0,1,0,0|2,0,0]=4 12959 B10R1.137 COCN(C)CC1CCC1 269982a_200000750244_100000766300 [0,1,0,1,0,0|2,0,0]=4 12960 B10R1.137 COC[C@@H](C)NC1CCC1 270004a_100000764878_100000241760 [0,1,0,1,0,0|2,0,0]=4 12961 B10R1.137 COC[C@@H](C)OC1CCC1 34a_100011934205_100000749161 [0,1,0,1,0,0|2,0,0]=4 12962 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,1,0,1,0,0|0,0,2]=4 12963 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [0,1,0,1,0,0|1,0,1]=4 12964 B10R1.137 CSCN(C)CC1CCC1 2230a_200000750244_100011218213 [0,1,0,1,0,0|2,0,0]=4 12965 B10R1.137 CSCN(C)CC1CCC1 269982a_200000750244_100011218213 [0,1,0,1,0,0|2,0,0]=4 12966 B10R1.137 CSCN(C)CC1CCC1 34a_200000750244_100011218213 [0,1,0,1,0,0|2,0,0]=4 12967 B10R1.137 C[C@H](CCO)NC1CCC1 270004a_100000706166_100000241760 [0,1,0,1,0,0|2,0,0]=4 12968 B10R1.137 C[C@H](CCO)NC1CCC1 34a_100000706166_100000749161 [0,1,0,1,0,0|2,0,0]=4 12969 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,1,0,1,0,0|0,0,2]=4 12970 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,1,0,1,0,0|0,0,2]=4 12971 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,1,0,1,0,0|0,0,2]=4 12972 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [0,1,0,1,0,0|1,0,1]=4 12973 B10R1.138 CC(CCBr)OCC1CC1 34a_100012276601_100000742324 [0,1,0,1,0,0|2,0,0]=4 12974 B10R1.138 CC(CCN)COC1CC1 34a_106354213184_100000211595 [0,1,0,1,0,0|2,0,0]=4 12975 B10R1.138 CC(CCO)NCC1CC1 2230a_100000735609_100009893172 [0,1,0,1,0,0|2,0,0]=4 12976 B10R1.138 CC(CCO)NCC1CC1 34a_100000735609_100009893172 [0,1,0,1,0,0|2,0,0]=4 12977 B10R1.138 CC(CCO)OCC1CC1 34a_100000211283_100009893172 [0,1,0,1,0,0|2,0,0]=4 12978 B10R1.138 CC(CCO)SCC1CC1 62a_100000756562_100009893172 [0,1,0,1,0,0|2,0,0]=4 12979 B10R1.138 CC(CCO)SCC1CC1 62a_100009893172_100000742324 [0,1,0,1,0,0|2,0,0]=4 12980 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|0,0,2]=4 12981 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|0,0,2]=4 12982 B10R1.138 CCCC(C)CNC1CC1 34a_100000212008_100011216630 [0,1,0,1,0,0|2,0,0]=4 12983 B10R1.138 CCCC(C)COC1CC1 34a_100000688023_100000211595 [0,1,0,1,0,0|2,0,0]=4 12984 B10R1.138 CCCC(C)CSC1CC1 62a_100011216630_100000211595 [0,1,0,1,0,0|2,0,0]=4 12985 B10R1.138 CCCC(C)NCC1CC1 2230a_100000735609_100000766640 [0,1,0,1,0,0|2,0,0]=4 12986 B10R1.138 CCCC(C)NCC1CC1 2230a_100000741246_100000742324 [0,1,0,1,0,0|2,0,0]=4 12987 B10R1.138 CCCC(C)NCC1CC1 269862a_100000741246_100000741477 [0,1,0,1,0,0|2,0,0]=4 12988 B10R1.138 CCCC(C)NCC1CC1 270004a_100000735609_100000211909 [0,1,0,1,0,0|2,0,0]=4 12989 B10R1.138 CCCC(C)NCC1CC1 34a_100000735609_100000766640 [0,1,0,1,0,0|2,0,0]=4 12990 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [0,1,0,1,0,0|2,0,0]=4 12991 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [0,1,0,1,0,0|2,0,0]=4 12992 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [0,1,0,1,0,0|2,0,0]=4 12993 B10R1.138 CCCC(C)SCC1CC1 62a_100000756562_100000766640 [0,1,0,1,0,0|2,0,0]=4 12994 B10R1.138 CCCC(C)SCC1CC1 62a_100000766640_100000742324 [0,1,0,1,0,0|2,0,0]=4 12995 B10R1.138 CCCN(C)CCC1CC1 2230a_100000747261_100000694398 [0,1,0,1,0,0|2,0,0]=4 12996 B10R1.138 CCCN(C)CCC1CC1 269982a_100000747261_100000694398 [0,1,0,1,0,0|2,0,0]=4 12997 B10R1.138 CCC[C@H](N)COC1CC1 34a_100000732646_100000211595 [0,1,0,1,0,0|2,0,0]=4 12998 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,1,0,1,0,0|0,0,2]=4 12999 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,1,0,1,0,0|0,0,2]=4 13000 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,1,0,1,0,0|0,0,2]=4 13001 B10R1.138 CN(CCO)CCC1CC1 2230a_100000210263_100000694398 [0,1,0,1,0,0|2,0,0]=4 13002 B10R1.138 CN(CCO)CCC1CC1 269982a_100000210263_100000694398 [0,1,0,1,0,0|2,0,0]=4 13003 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,1,0,1,0,0|0,0,2]=4 13004 B10R1.138 COCC(C)NCC1CC1 2230a_100000735609_100000765312 [0,1,0,1,0,0|2,0,0]=4 13005 B10R1.138 COCC(C)NCC1CC1 270004a_100000735609_100000749346 [0,1,0,1,0,0|2,0,0]=4 13006 B10R1.138 COCC(C)NCC1CC1 34a_100000735609_100000765312 [0,1,0,1,0,0|2,0,0]=4 13007 B10R1.138 COCC(C)OCC1CC1 34a_100000211283_100000765312 [0,1,0,1,0,0|2,0,0]=4 13008 B10R1.138 COCC(C)SCC1CC1 62a_100000756562_100000765312 [0,1,0,1,0,0|2,0,0]=4 13009 B10R1.138 COCC(C)SCC1CC1 62a_100000765312_100000742324 [0,1,0,1,0,0|2,0,0]=4 13010 B10R1.138 COCC(N)COC1CC1 34a_100000724102_100000211595 [0,1,0,1,0,0|2,0,0]=4 13011 B10R1.138 COCC(O)CNC1CC1 34a_100000212008_100011215053 [0,1,0,1,0,0|1,0,0]=3 13012 B10R1.138 COCC(O)CNC1CC1 34a_100000756049_100000211595 [0,1,0,1,0,0|1,0,0]=3 13013 B10R1.138 COCC(O)CSC1CC1 62a_100011215053_100000211595 [0,1,0,1,0,0|1,0,0]=3 13014 B10R1.138 COC[C@@H](C)NCC1CC1 2230a_100000764878_100000742324 [0,1,0,1,0,0|2,0,0]=4 13015 B10R1.138 COC[C@@H](C)NCC1CC1 269862a_100000764878_100000741477 [0,1,0,1,0,0|2,0,0]=4 13016 B10R1.138 COC[C@@H](C)OCC1CC1 34a_100011934205_100000742324 [0,1,0,1,0,0|2,0,0]=4 13017 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,1,0,1,0,0|0,0,2]=4 13018 B10R1.138 CSCC(C)NCC1CC1 270004a_100000735609_100011216314 [0,1,0,1,0,0|2,0,0]=4 13019 B10R1.138 C[C@H](CCO)NCC1CC1 2230a_100000706166_100000742324 [0,1,0,1,0,0|2,0,0]=4 13020 B10R1.138 C[C@H](CCO)NCC1CC1 269862a_100000706166_100000741477 [0,1,0,1,0,0|2,0,0]=4 13021 B10R1.138 C[C@H](CCO)NCC1CC1 34a_100000706166_100000742324 [0,1,0,1,0,0|2,0,0]=4 13022 B10R1.138 N#CC[C@H](O)CSC1CC1 62a_100000001066_100000211595 [0,1,0,1,0,0|1,0,1]=4 13023 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,1,0,1,0,0|0,0,2]=4 13024 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,1,0,1,0,0|0,0,2]=4 13025 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,1,0,1,0,0|0,0,2]=4 13026 B10R1.139 CC(CCO)N1CCC1C 269982a_100000755817_100009893172 [0,1,0,1,0,0|2,0,0]=4 13027 B10R1.139 CC(CCO)N1CCC1C 34a_100000755817_100009893172 [0,1,0,1,0,0|2,0,0]=4 13028 B10R1.139 CCCC(C)N1CCC1C 269982a_100000755817_100000766640 [0,1,0,1,0,0|2,0,0]=4 13029 B10R1.139 CCCC(C)N1CCC1C 34a_100000755817_100000766640 [0,1,0,1,0,0|2,0,0]=4 13030 B10R1.139 COCC(C)N1CCC1C 269982a_100000755817_100000765312 [0,1,0,1,0,0|2,0,0]=4 13031 B10R1.139 COCC(C)N1CCC1C 34a_100000755817_100000765312 [0,1,0,1,0,0|2,0,0]=4 13032 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|0,0,2]=4 13033 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|0,0,2]=4 13034 B10R1.186 CCCCCN(C)C1CC1 2230a_100000226674_100000210326 [0,1,0,1,0,0|2,0,0]=4 13035 B10R1.186 CCCCCN(C)C1CC1 269982a_100000223495_100000211595 [0,1,0,1,0,0|2,0,0]=4 13036 B10R1.186 CCCCCN(C)C1CC1 269982a_100000226674_100000210215 [0,1,0,1,0,0|2,0,0]=4 13037 B10R1.186 CCCCNC(C)C1CC1 2230a_100000700016_100000210211 [0,1,0,1,0,0|2,0,0]=4 13038 B10R1.186 CCCCNC(C)C1CC1 269862a_100000102301_100000210639 [0,1,0,1,0,0|2,0,0]=4 13039 B10R1.186 CCCCNC(C)C1CC1 34a_100000700016_100000210210 [0,1,0,1,0,0|2,0,0]=4 13040 B10R1.186 CCCCNC(C)C1CO1 270004a_100000102301_100000031964 [0,1,0,1,0,0|2,0,0]=4 13041 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [0,1,0,1,0,0|2,0,0]=4 13042 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [0,1,0,1,0,0|2,0,0]=4 13043 B10R1.186 CCCNCC(O)C1CC1 2230a_100000751198_100000210303 [0,1,0,1,0,0|1,0,0]=3 13044 B10R1.186 CCCNCC(O)C1CC1 34a_100000751198_100000210303 [0,1,0,1,0,0|1,0,0]=3 13045 B10R1.186 CCCOC[C@H](N)C1CC1 34a_100020623730_100000210303 [0,1,0,1,0,0|2,0,0]=4 13046 B10R1.186 COCNCC(O)C1CC1 2230a_100000751198_100000766300 [0,1,0,1,0,0|2,0,0]=4 13047 B10R1.186 CSCNCC(O)C1CC1 2230a_100000751198_100011218213 [0,1,0,1,0,0|2,0,0]=4 13048 B10R1.186 CSCNCC(O)C1CC1 34a_100000751198_100011218213 [0,1,0,1,0,0|2,0,0]=4 13049 B10R1.186 OC(CNCCF)C1CC1 2230a_100000751198_100011217306 [0,1,0,1,0,0|2,0,0]=4 13050 B10R1.186 OC(CNCCF)C1CC1 34a_100000751198_100011217306 [0,1,0,1,0,0|2,0,0]=4 13051 B10R1.186 OCCNCC(O)C1CC1 2230a_100000751198_100000211926 [0,1,0,1,0,0|2,0,0]=4 13052 B10R1.186 OCCNCC(O)C1CC1 34a_100000751198_100000211926 [0,1,0,1,0,0|2,0,0]=4 13053 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [0,1,0,1,0,0|1,0,0]=3 13054 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [0,1,0,1,0,0|1,0,0]=3 13055 B10R1.245 CC1CCCC(N1CF)C 269982a_100000210447_100015361967 [0,1,0,1,0,0|2,0,0]=4 13056 B10R1.245 CC1CCCC(N1CF)C 34a_100000210447_100015361967 [0,1,0,1,0,0|2,0,0]=4 13057 B10R1.245 CCN1C(CCCC1C)C 2230a_100000210447_100000210202 [0,1,0,1,0,0|1,0,0]=3 13058 B10R1.245 CCN1C(CCCC1C)C 269982a_100000210447_100000204670 [0,1,0,1,0,0|1,0,0]=3 13059 B10R1.245 CCN1C(CCCC1C)C 34a_100000210447_100000210202 [0,1,0,1,0,0|1,0,0]=3 13060 B10R1.245 CCN1[C@@H](COC[C@@H]1C)C 2230a_100103153222_100000210202 [0,1,0,1,0,0|2,0,0]=4 13061 B10R1.245 CCN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100000204670 [0,1,0,1,0,0|2,0,0]=4 13062 B10R1.245 CCN1[C@@H](COC[C@@H]1C)C 34a_100103153222_100000210202 [0,1,0,1,0,0|2,0,0]=4 13063 B10R1.245 CNC1C(CCCC1C)C 269862a_106832991636_100000211995 [0,1,0,1,0,0|1,0,0]=3 13064 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [0,1,0,1,0,0|1,0,0]=3 13065 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [0,1,0,1,0,0|1,0,0]=3 13066 B10R1.376 CCCCNC1(CCC1)C 2230a_100000692455_100000210211 [0,1,0,1,0,0|2,0,0]=4 13067 B10R1.376 CCCCNC1(CCC1)C 34a_100000692455_100000210210 [0,1,0,1,0,0|2,0,0]=4 13068 B10R1.376 CCCCNC1(COC1)C 2230a_100000732644_100000210211 [0,1,0,1,0,0|2,0,0]=4 13069 B10R1.376 CCCCOC1(CCC1)C 34a_100000759064_100000210210 [0,1,0,1,0,0|2,0,0]=4 13070 B10R1.376 CCCCOC1(CCC1)C 7a_100000759064_100000210211 [0,1,0,1,0,0|2,0,0]=4 13071 B10R1.376 CCCCOC1(CSC1)C 7a_100016018533_100000210211 [0,1,0,1,0,0|2,0,0]=4 13072 B10R1.376 CCCNCC1(CCC1)C 2230a_100000706607_100000210303 [0,1,0,1,0,0|2,0,0]=4 13073 B10R1.376 CCCNCC1(CCC1)O 2230a_100000752638_100000210303 [0,1,0,1,0,0|1,0,0]=3 13074 B10R1.376 CCCNCC1(COC1)C 2230a_100020631278_100000210303 [0,1,0,1,0,0|2,0,0]=4 13075 B10R1.376 CCCNCC1(COC1)C 269862a_100020643023_100000050806 [0,1,0,1,0,0|2,0,0]=4 13076 B10R1.376 CCCNCC1(COC1)O 2230a_100010264505_100000210303 [0,1,0,1,0,0|1,0,0]=3 13077 B10R1.376 CCCOCC1(CCC1)C 34a_100000210258_100000726658 [0,1,0,1,0,0|2,0,0]=4 13078 B10R1.376 CCCOCC1(COC1)C 34a_100000210258_100009817586 [0,1,0,1,0,0|2,0,0]=4 13079 B10R1.376 CCCOCC1(CSC1)C 34a_100000732658_100000210303 [0,1,0,1,0,0|2,0,0]=4 13080 B10R1.376 CCCOCC1(CSC1)C 7a_100000732658_100000210303 [0,1,0,1,0,0|2,0,0]=4 13081 B10R1.376 CCCSCC1(CCC1)C 62a_100000210303_100000726658 [0,1,0,1,0,0|2,0,0]=4 13082 B10R1.376 CCCSCC1(CCC1)C 62a_100000726658_100000210303 [0,1,0,1,0,0|2,0,0]=4 13083 B10R1.376 CCCSCC1(COC1)C 62a_100000210303_100009817586 [0,1,0,1,0,0|2,0,0]=4 13084 B10R1.376 CCCSCC1(COC1)C 62a_100009817586_100000210303 [0,1,0,1,0,0|2,0,0]=4 13085 B10R1.376 COCNCC1(CCC1)O 2230a_100000752638_100000766300 [0,1,0,1,0,0|2,0,0]=4 13086 B10R1.376 COCNCC1(COC1)O 2230a_100010264505_100000766300 [0,1,0,1,0,0|2,0,0]=4 13087 B10R1.376 CSCNCC1(CCC1)O 2230a_100000752638_100011218213 [0,1,0,1,0,0|2,0,0]=4 13088 B10R1.376 CSCNCC1(COC1)O 2230a_100010264505_100011218213 [0,1,0,1,0,0|2,0,0]=4 13089 B10R1.376 OC1(CCC1)CNCCF 2230a_100000752638_100011217306 [0,1,0,1,0,0|2,0,0]=4 13090 B10R1.376 OC1(COC1)CNCCF 2230a_100010264505_100011217306 [0,1,0,1,0,0|2,0,0]=4 13091 B10R1.376 OCCNCC1(CCC1)O 2230a_100000752638_100000211926 [0,1,0,1,0,0|2,0,0]=4 13092 B10R1.376 OCCNCC1(COC1)O 2230a_100010264505_100000211926 [0,1,0,1,0,0|2,0,0]=4 13093 B10R1.377 CC1(CCCCC1)CN[13CH3] 2230a_100000706052_200025704644 [0,1,0,1,0,0|1,0,0]=3 13094 B10R1.377 CC1(CCCCC1)CN[13CH3] 34a_100000706052_200025704644 [0,1,0,1,0,0|1,0,0]=3 13095 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [0,1,0,1,0,0|1,0,0]=3 13096 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [0,1,0,1,0,0|1,0,0]=3 13097 B10R1.377 CC1(CCCCC1)NCF 34a_100000741114_100015361967 [0,1,0,1,0,0|2,0,0]=4 13098 B10R1.377 CC1(CCCCC1)OCF 34a_100011215885_100015361967 [0,1,0,1,0,0|2,0,0]=4 13099 B10R1.377 CC1(CCCCC1)OCF 7a_100011215885_100015361967 [0,1,0,1,0,0|2,0,0]=4 13100 B10R1.377 CC1(CCOCC1)CN[13CH3] 2230a_100000695556_200025704644 [0,1,0,1,0,0|2,0,0]=4 13101 B10R1.377 CC1(CCOCC1)CN[13CH3] 34a_100000695556_200025704644 [0,1,0,1,0,0|2,0,0]=4 13102 B10R1.377 CC1(CCOCC1)CO[13CH3] 34a_100000704393_200025704644 [0,1,0,1,0,0|2,0,0]=4 13103 B10R1.377 CC1(CCOCC1)CO[13CH3] 7a_100000704393_200025704644 [0,1,0,1,0,0|2,0,0]=4 13104 B10R1.377 CCNC1(CCCCC1)C 2230a_100000741114_100000210202 [0,1,0,1,0,0|1,0,0]=3 13105 B10R1.377 CCNC1(CCCCC1)C 34a_100000741114_100000210202 [0,1,0,1,0,0|1,0,0]=3 13106 B10R1.377 CCNC1(CCOCC1)C 2230a_100000692449_100000210202 [0,1,0,1,0,0|2,0,0]=4 13107 B10R1.377 CCNC1(CCOCC1)C 34a_100000692449_100000210202 [0,1,0,1,0,0|2,0,0]=4 13108 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [0,1,0,1,0,0|1,0,0]=3 13109 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [0,1,0,1,0,0|1,0,0]=3 13110 B10R1.377 CCOC1(CCOCC1)C 34a_100011827762_100000210202 [0,1,0,1,0,0|2,0,0]=4 13111 B10R1.377 CCOC1(CCOCC1)C 7a_100011827762_100000210202 [0,1,0,1,0,0|2,0,0]=4 13112 B10R1.377 CCOC1(CCSCC1)C 34a_200011004327_100000210202 [0,1,0,1,0,0|2,0,0]=4 13113 B10R1.377 CCOC1(CCSCC1)C 7a_200011004327_100000210202 [0,1,0,1,0,0|2,0,0]=4 13114 B10R1.377 CNCC1(CCCCC1)C 2230a_100000706052_200000210301 [0,1,0,1,0,0|1,0,0]=3 13115 B10R1.377 CNCC1(CCCCC1)C 269862a_106832991636_100011935227 [0,1,0,1,0,0|1,0,0]=3 13116 B10R1.377 CNCC1(CCCCC1)C 34a_100000706052_200000210301 [0,1,0,1,0,0|1,0,0]=3 13117 B10R1.377 CNCC1(CCCCC1)O 2230a_100000748649_200000210301 [0,1,0,1,0,0|0,0,0]=2 13118 B10R1.377 CNCC1(CCCCC1)O 34a_100000748649_200000210301 [0,1,0,1,0,0|0,0,0]=2 13119 B10R1.377 CNCC1(CCOCC1)C 2230a_100000695556_200000210301 [0,1,0,1,0,0|2,0,0]=4 13120 B10R1.377 CNCC1(CCOCC1)C 269862a_106832991636_100000701351 [0,1,0,1,0,0|2,0,0]=4 13121 B10R1.377 CNCC1(CCOCC1)C 34a_100000695556_200000210301 [0,1,0,1,0,0|2,0,0]=4 13122 B10R1.377 CNCC1(CCOCC1)F 2230a_100016991512_200000210301 [0,1,0,1,0,0|2,0,0]=4 13123 B10R1.377 CNCC1(CCOCC1)F 34a_100016991512_200000210301 [0,1,0,1,0,0|2,0,0]=4 13124 B10R1.377 CNCC1(CCOCC1)O 2230a_100000704115_200000210301 [0,1,0,1,0,0|1,0,0]=3 13125 B10R1.377 CNCC1(CCOCC1)O 34a_100000704115_200000210301 [0,1,0,1,0,0|1,0,0]=3 13126 B10R1.377 CNCC1(CCSCC1)O 2230a_100000758141_200000210301 [0,1,0,1,0,0|1,0,0]=3 13127 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [0,1,0,1,0,0|1,0,0]=3 13128 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [0,1,0,1,0,0|1,0,0]=3 13129 B10R1.377 COCC1(CCCCC1)F 34a_100000090305_200000210301 [0,1,0,1,0,0|1,0,0]=3 13130 B10R1.377 COCC1(CCCCC1)F 7a_100000090305_200000210301 [0,1,0,1,0,0|1,0,0]=3 13131 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [0,1,0,1,0,0|1,0,0]=3 13132 B10R1.377 COCC1(CCNCC1)F 34a_100016990393_200000210301 [0,1,0,1,0,0|2,0,0]=4 13133 B10R1.377 COCC1(CCOCC1)C 34a_100000704393_200000210301 [0,1,0,1,0,0|2,0,0]=4 13134 B10R1.377 COCC1(CCOCC1)C 7a_100000704393_200000210301 [0,1,0,1,0,0|2,0,0]=4 13135 B10R1.377 COCC1(CCOCC1)N 34a_100000751404_200000210301 [0,1,0,1,0,0|2,0,0]=4 13136 B10R1.377 [13CH3]NCC1(CCCCC1)O 2230a_100000748649_200025704644 [0,1,0,1,0,0|0,0,0]=2 13137 B10R1.377 [13CH3]NCC1(CCCCC1)O 34a_100000748649_200025704644 [0,1,0,1,0,0|0,0,0]=2 13138 B10R1.377 [13CH3]NCC1(CCOCC1)F 2230a_100016991512_200025704644 [0,1,0,1,0,0|2,0,0]=4 13139 B10R1.377 [13CH3]NCC1(CCOCC1)F 34a_100016991512_200025704644 [0,1,0,1,0,0|2,0,0]=4 13140 B10R1.377 [13CH3]NCC1(CCOCC1)O 2230a_100000704115_200025704644 [0,1,0,1,0,0|1,0,0]=3 13141 B10R1.377 [13CH3]NCC1(CCOCC1)O 34a_100000704115_200025704644 [0,1,0,1,0,0|1,0,0]=3 13142 B10R1.377 [13CH3]NCC1(CCSCC1)O 2230a_100000758141_200025704644 [0,1,0,1,0,0|1,0,0]=3 13143 B10R1.377 [13CH3]OCC1(CCCCC1)F 34a_100000090305_200025704644 [0,1,0,1,0,0|1,0,0]=3 13144 B10R1.377 [13CH3]OCC1(CCCCC1)F 7a_100000090305_200025704644 [0,1,0,1,0,0|1,0,0]=3 13145 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [0,1,0,1,0,0|1,0,0]=3 13146 B10R1.377 [13CH3]OCC1(CCNCC1)F 34a_100016990393_200025704644 [0,1,0,1,0,0|2,0,0]=4 13147 B10R1.377 [13CH3]OCC1(CCOCC1)N 34a_100000751404_200025704644 [0,1,0,1,0,0|2,0,0]=4 13148 B10R1.527 CCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000210202 [0,1,0,1,0,0|2,0,0]=4 13149 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,1,0,0|2,0,0]=4 13150 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,1,0,0|2,0,0]=4 13151 B10R1.15 CC(O[13CH3])C1CCCNC1 34a_100000740858_200025704644 [0,1,0,1,0,0|2,0,0]=4 13152 B10R1.15 CC(O[13CH3])C1CCNCC1 34a_100011728446_200025704644 [0,1,0,1,0,0|2,0,0]=4 13153 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|0,0,2]=4 13154 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|0,0,2]=4 13155 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|0,0,2]=4 13156 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,1,0,0|0,0,2]=4 13157 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,1,0,0|0,0,2]=4 13158 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,1,0,0|0,0,2]=4 13159 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,1,0,0|0,0,2]=4 13160 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,1,0,0|0,0,2]=4 13161 B10R1.15 CCC(C)N1CCCOC1 2230a_100000131196_100000758301 [0,1,0,1,0,0|2,0,0]=4 13162 B10R1.15 CCC(C)N1CCCOC1 269982a_100000131196_100000758301 [0,1,0,1,0,0|2,0,0]=4 13163 B10R1.15 CCC(C)N1CCCOC1 34a_100000131196_100011215416 [0,1,0,1,0,0|2,0,0]=4 13164 B10R1.15 CCC(C)N1CCOCC1 2230a_100015191051_100000758301 [0,1,0,1,0,0|2,0,0]=4 13165 B10R1.15 CCC(C)N1CCOCC1 269982a_100015191051_100000758301 [0,1,0,1,0,0|2,0,0]=4 13166 B10R1.15 CCC(C)N1CCOCC1 34a_100015191051_100011215416 [0,1,0,1,0,0|2,0,0]=4 13167 B10R1.15 CCC(C)N1CCSCC1 2230a_100000737611_100000758301 [0,1,0,1,0,0|2,0,0]=4 13168 B10R1.15 CCC(C)N1CCSCC1 269982a_100000737611_100000758301 [0,1,0,1,0,0|2,0,0]=4 13169 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 13170 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [0,1,0,1,0,0|2,0,0]=4 13171 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 13172 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [0,1,0,1,0,0|2,0,0]=4 13173 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [0,1,0,1,0,0|2,0,0]=4 13174 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 13175 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [0,1,0,1,0,0|2,0,0]=4 13176 B10R1.15 CCN(C)C1CCCOC1 269982a_100000225621_100000693364 [0,1,0,1,0,0|2,0,0]=4 13177 B10R1.15 CCN(C)C1CCOCC1 2230a_100011324086_200000210301 [0,1,0,1,0,0|2,0,0]=4 13178 B10R1.15 CCN(C)C1CCOCC1 2230a_100020587155_100000210202 [0,1,0,1,0,0|2,0,0]=4 13179 B10R1.15 CCN(C)C1CCOCC1 269982a_100000225621_100011324220 [0,1,0,1,0,0|2,0,0]=4 13180 B10R1.15 CCN(C)C1CCOCC1 269982a_100011324086_200000210301 [0,1,0,1,0,0|2,0,0]=4 13181 B10R1.15 CCN(C)C1CCOCC1 269982a_100020587155_100000204670 [0,1,0,1,0,0|2,0,0]=4 13182 B10R1.15 CCN(C)C1CCOCC1 34a_100011324086_200000210301 [0,1,0,1,0,0|2,0,0]=4 13183 B10R1.15 CCN(C)C1CCOCC1 34a_100020587155_100000210202 [0,1,0,1,0,0|2,0,0]=4 13184 B10R1.15 CCN(C)C1CCSCC1 2230a_100015184757_100000210202 [0,1,0,1,0,0|2,0,0]=4 13185 B10R1.15 CCN(C)C1CCSCC1 269982a_100000225621_100000069128 [0,1,0,1,0,0|2,0,0]=4 13186 B10R1.15 CCN(C)C1CCSCC1 269982a_100015184757_100000204670 [0,1,0,1,0,0|2,0,0]=4 13187 B10R1.15 CCN(C)C1CCSCC1 34a_100015184757_100000210202 [0,1,0,1,0,0|2,0,0]=4 13188 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 13189 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 13190 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 13191 B10R1.15 CCN([13CH3])C1CCOCC1 2230a_100011324086_200025704644 [0,1,0,1,0,0|2,0,0]=4 13192 B10R1.15 CCN([13CH3])C1CCOCC1 269982a_100011324086_200025704644 [0,1,0,1,0,0|2,0,0]=4 13193 B10R1.15 CCN([13CH3])C1CCOCC1 34a_100011324086_200025704644 [0,1,0,1,0,0|2,0,0]=4 13194 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,1,0,1,0,0|2,0,0]=4 13195 B10R1.15 CNC(C)C1CCCCN1 269862a_106832991636_200011997754 [0,1,0,1,0,0|2,0,0]=4 13196 B10R1.15 CNC(C)C1CCCNC1 269862a_106832991636_100011320585 [0,1,0,1,0,0|2,0,0]=4 13197 B10R1.15 CNC(C)C1CCNCC1 269862a_106832991636_100015204191 [0,1,0,1,0,0|2,0,0]=4 13198 B10R1.15 CNC(C)C1CCOCC1 269862a_106832991636_100000759496 [0,1,0,1,0,0|2,0,0]=4 13199 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,1,0,1,0,0|2,0,0]=4 13200 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,1,0,1,0,0|2,0,0]=4 13201 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,1,0,0|2,0,0]=4 13202 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,1,0,0|2,0,0]=4 13203 B10R1.15 COC(C)C1CCCNC1 34a_100000740858_200000210301 [0,1,0,1,0,0|2,0,0]=4 13204 B10R1.15 COC(C)C1CCNCC1 34a_100011728446_200000210301 [0,1,0,1,0,0|2,0,0]=4 13205 B10R1.15 CO[C@H](C)C1CCOCC1 34a_100000703848_200000210301 [0,1,0,1,0,0|2,0,0]=4 13206 B10R1.15 CO[C@H](C)C1CCOCC1 7a_100000703848_200000210301 [0,1,0,1,0,0|2,0,0]=4 13207 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,1,0,1,0,0|2,0,0]=4 13208 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,1,0,1,0,0|2,0,0]=4 13209 B10R1.15 C[C@@H](O[13CH3])C1CCOCC1 34a_100000703848_200025704644 [0,1,0,1,0,0|2,0,0]=4 13210 B10R1.15 C[C@@H](O[13CH3])C1CCOCC1 7a_100000703848_200025704644 [0,1,0,1,0,0|2,0,0]=4 13211 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,1,0,1,0,0|2,0,0]=4 13212 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,1,0,1,0,0|2,0,0]=4 13213 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [0,1,0,1,0,0|2,0,0]=4 13214 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [0,1,0,1,0,0|2,0,0]=4 13215 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,1,0,1,0,0|2,0,0]=4 13216 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,1,0,1,0,0|2,0,0]=4 13217 B10R1.169 CCC1CN(C1)C(C)CC 2230a_100015205115_100000758301 [0,1,0,1,0,0|2,0,0]=4 13218 B10R1.169 CCC1CN(C1)C(C)CC 269982a_100015205115_100000758301 [0,1,0,1,0,0|2,0,0]=4 13219 B10R1.176 CC1CCC(CC1C)O[13CH3] 34a_100011215933_200025704644 [0,1,0,1,0,0|2,0,0]=4 13220 B10R1.176 CC1CCC(CC1C)O[13CH3] 7a_100011215933_200025704644 [0,1,0,1,0,0|2,0,0]=4 13221 B10R1.176 CC1CN(CCC1O)CF 269982a_100011998114_100015361967 [0,1,0,1,0,0|2,0,0]=4 13222 B10R1.176 CCC1CCC(N(C1)C)C 2230a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 13223 B10R1.176 CCC1CCC(N(C1)C)C 269982a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 13224 B10R1.176 CCC1CCC(N(C1)C)C 34a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 13225 B10R1.176 CCC1CCC(N(C1)[13CH3])C 2230a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 13226 B10R1.176 CCC1CCC(N(C1)[13CH3])C 269982a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 13227 B10R1.176 CCC1CCC(N(C1)[13CH3])C 34a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 13228 B10R1.176 CCN1CCC(C(C1)C)O 2230a_100011998114_100000210202 [0,1,0,1,0,0|1,0,0]=3 13229 B10R1.176 CCN1CCC(C(C1)C)O 269982a_100011998114_100000204670 [0,1,0,1,0,0|1,0,0]=3 13230 B10R1.176 CCN1CCC(C(C1)O)C 2230a_100000696640_100000210202 [0,1,0,1,0,0|2,0,0]=4 13231 B10R1.176 CCN1CCC(C(C1)O)C 269982a_100000696640_100000204670 [0,1,0,1,0,0|2,0,0]=4 13232 B10R1.176 CCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100000210202 [0,1,0,1,0,0|1,0,0]=3 13233 B10R1.176 CCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000204670 [0,1,0,1,0,0|1,0,0]=3 13234 B10R1.176 CCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000210202 [0,1,0,1,0,0|1,0,0]=3 13235 B10R1.176 CCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000204670 [0,1,0,1,0,0|1,0,0]=3 13236 B10R1.176 CNC1CCC(C(C1)C)C 270004a_106832991635_100000759390 [0,1,0,1,0,0|2,0,0]=4 13237 B10R1.176 COC1CCC(C(C1)C)C 34a_100011215933_200000210301 [0,1,0,1,0,0|2,0,0]=4 13238 B10R1.176 COC1CCC(C(C1)C)C 7a_100011215933_200000210301 [0,1,0,1,0,0|2,0,0]=4 13239 B10R1.176 O[C@@H]1CCN(C[C@@H]1F)CF 269982a_200016994291_100015361967 [0,1,0,1,0,0|2,0,0]=4 13240 B10R1.176 O[C@@H]1CCN(C[C@@H]1O)CF 269982a_100000690696_100015361967 [0,1,0,1,0,0|2,0,0]=4 13241 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000209988_100000210211 [0,1,0,1,0,0|1,0,1]=4 13242 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000210183_100000749161 [0,1,0,1,0,0|1,0,1]=4 13243 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,1,0,1,0,0|0,0,1]=3 13244 B10R1.178 CCCCC(C)N1CCC1 269982a_100000754969_200011215066 [0,1,0,1,0,0|2,0,0]=4 13245 B10R1.178 CCCCN(C)C1CCC1 2230a_100000758072_100000210211 [0,1,0,1,0,0|2,0,0]=4 13246 B10R1.178 CCCCN(C)C1CCC1 269982a_100000207549_100000749161 [0,1,0,1,0,0|2,0,0]=4 13247 B10R1.178 CCCCN(C)C1CCC1 269982a_100000758072_100000210211 [0,1,0,1,0,0|2,0,0]=4 13248 B10R1.178 CCCCN(C)C1CCC1 270004a_100000207549_100000241760 [0,1,0,1,0,0|2,0,0]=4 13249 B10R1.178 CCCCN(C)C1CCC1 34a_100000758072_100000210210 [0,1,0,1,0,0|2,0,0]=4 13250 B10R1.178 CCCNC(=O)C1CCO1 11a_100020643023_100000089072 [0,1,0,1,0,0|1,0,1]=4 13251 B10R1.178 CCCNC(=O)C1CCO1 1626a_100020643023_100000089072 [0,1,0,1,0,0|1,0,1]=4 13252 B10R1.178 CCCNC(=O)C1CCO1 240690a_100020643023_100000089072 [0,1,0,1,0,0|1,0,1]=4 13253 B10R1.178 CCCNC(=O)C1CCO1 527a_100020643023_100000089072 [0,1,0,1,0,0|1,0,1]=4 13254 B10R1.178 CCCNC(C)C1CCC1 2230a_100016994624_100000210303 [0,1,0,1,0,0|2,0,0]=4 13255 B10R1.178 CCCNC(C)C1CCC1 269862a_100020643023_100000760154 [0,1,0,1,0,0|2,0,0]=4 13256 B10R1.178 CCCNC(C)C1CCC1 34a_100016994624_100000210303 [0,1,0,1,0,0|2,0,0]=4 13257 B10R1.178 CCCOC(C)C1CCC1 34a_100000766398_100000210303 [0,1,0,1,0,0|2,0,0]=4 13258 B10R1.178 CCCOC(C)C1CCC1 7a_100000766398_100000210303 [0,1,0,1,0,0|2,0,0]=4 13259 B10R1.178 COCCC(=O)C1CCO1 1458a_100000089072_100000233755 [0,1,0,1,0,0|1,0,1]=4 13260 B10R1.178 CSCCC(=O)C1CCO1 1458a_100000089072_100000751147 [0,1,0,1,0,0|1,0,1]=4 13261 B10R1.178 O=C(CCCF)C1CCO1 1458a_100000089072_100011934791 [0,1,0,1,0,0|1,0,1]=4 13262 B10R1.178 O=C(CCCO)C1CCO1 1458a_100000089072_100011215043 [0,1,0,1,0,0|1,0,1]=4 13263 B10R1.179 CCCCC(=O)C1(CC1)C 1458a_100000756474_100000210211 [0,1,0,1,0,0|1,0,1]=4 13264 B10R1.179 CCCCC(=O)C1(CC1)F 1458a_100000055089_100000210211 [0,1,0,1,0,0|1,0,1]=4 13265 B10R1.179 CCCCC(=O)C1(CC1)O 1458a_100000241761_100000210211 [0,1,0,1,0,0|0,0,1]=3 13266 B10R1.179 CCCNC(=O)C1(CC1)O 240690a_100020643023_100000241761 [0,1,0,1,0,0|1,0,1]=4 13267 B10R1.179 CCCNC(C)C1(CC1)C 269862a_100020643023_100000184723 [0,1,0,1,0,0|2,0,0]=4 13268 B10R1.179 CCCNC(C)C1(CC1)F 269862a_100020643023_100000052362 [0,1,0,1,0,0|2,0,0]=4 13269 B10R1.179 COCCC(=O)C1(CC1)O 1458a_100000241761_100000233755 [0,1,0,1,0,0|1,0,1]=4 13270 B10R1.179 CSCCC(=O)C1(CC1)O 1458a_100000241761_100000751147 [0,1,0,1,0,0|1,0,1]=4 13271 B10R1.179 O=C(CCCF)C1(CC1)O 1458a_100000241761_100011934791 [0,1,0,1,0,0|1,0,1]=4 13272 B10R1.179 O=C(CCCO)C1(CC1)O 1458a_100000241761_100011215043 [0,1,0,1,0,0|1,0,1]=4 13273 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100000209988_100000758301 [0,1,0,1,0,0|1,0,1]=4 13274 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100011192722_100000749161 [0,1,0,1,0,0|1,0,1]=4 13275 B10R1.182 CCC(C)N(C)C1CCC1 2230a_100000758072_100000758301 [0,1,0,1,0,0|2,0,0]=4 13276 B10R1.182 CCC(C)N(C)C1CCC1 269982a_100000741768_100000749161 [0,1,0,1,0,0|2,0,0]=4 13277 B10R1.182 CCC(C)N(C)C1CCC1 269982a_100000758072_100000758301 [0,1,0,1,0,0|2,0,0]=4 13278 B10R1.182 CCC(C)N(C)C1CCC1 270004a_100000741768_100000241760 [0,1,0,1,0,0|2,0,0]=4 13279 B10R1.182 CCC(C)N(C)C1CCC1 34a_100000758072_100011215416 [0,1,0,1,0,0|2,0,0]=4 13280 B10R1.182 CCC(O)C(=O)C1CCC1 1458a_100011196387_100000749161 [0,1,0,1,0,0|0,0,1]=3 13281 B10R1.182 CCC(O)C(=O)C1COC1 1458a_100011196387_100000687716 [0,1,0,1,0,0|1,0,1]=4 13282 B10R1.182 CCC(O)C(=O)N1CCC1 240690a_100000754969_100011196387 [0,1,0,1,0,0|1,0,1]=4 13283 B10R1.182 O=C(C(O)CO)C1CCC1 1458a_100011215603_100000749161 [0,1,0,1,0,0|1,0,1]=4 13284 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100000738066_100000758301 [0,1,0,1,0,0|1,0,1]=4 13285 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100011192722_100000742324 [0,1,0,1,0,0|1,0,1]=4 13286 B10R1.184 CCC(C)N(C)CC1CC1 2230a_100000741768_100000742324 [0,1,0,1,0,0|2,0,0]=4 13287 B10R1.184 CCC(C)N(C)CC1CC1 2230a_100000741881_100000758301 [0,1,0,1,0,0|2,0,0]=4 13288 B10R1.184 CCC(C)N(C)CC1CC1 269982a_100000741768_100000756562 [0,1,0,1,0,0|2,0,0]=4 13289 B10R1.184 CCC(C)N(C)CC1CC1 269982a_100000741881_100000758301 [0,1,0,1,0,0|2,0,0]=4 13290 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|0,0,1]=3 13291 B10R1.184 CCC(O)C(=O)CC1CO1 1458a_100011196387_100011216344 [0,1,0,1,0,0|1,0,1]=4 13292 B10R1.184 CCC(O)C(=O)CC1CS1 1458a_100011196387_100000031435 [0,1,0,1,0,0|1,0,1]=4 13293 B10R1.184 CCC(O)C(=O)C[C@@H]1CO1 1458a_100011196387_100000745022 [0,1,0,1,0,0|1,0,1]=4 13294 B10R1.184 CCC(O)C(=O)NC1CC1 240690a_100000212008_100011196387 [0,1,0,1,0,0|1,0,1]=4 13295 B10R1.184 O=C(CC1CC1)C(O)CO 1458a_100011215603_100000742324 [0,1,0,1,0,0|1,0,1]=4 13296 B10R1.217 C#CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000688953 [0,1,0,1,0,0|0,0,2]=4 13297 B10R1.217 C#CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000730999 [0,1,0,1,0,0|0,0,2]=4 13298 B10R1.217 C/C=C/CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100102629194 [0,1,0,1,0,0|0,0,2]=4 13299 B10R1.217 C=CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000754431 [0,1,0,1,0,0|0,0,2]=4 13300 B10R1.217 C=CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000754431 [0,1,0,1,0,0|0,0,2]=4 13301 B10R1.217 CC#CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000748600 [0,1,0,1,0,0|0,0,2]=4 13302 B10R1.217 CC=CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000070051 [0,1,0,1,0,0|0,0,2]=4 13303 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,1,0,1,0,0|0,0,0]=2 13304 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,1,0,1,0,0|0,0,0]=2 13305 B10R1.217 CCOCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000739092 [0,1,0,1,0,0|1,0,0]=3 13306 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011201679 [0,1,0,1,0,0|1,0,0]=3 13307 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000233755 [0,1,0,1,0,0|1,0,0]=3 13308 B10R1.217 CSCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000751147 [0,1,0,1,0,0|1,0,0]=3 13309 B10R1.217 CSCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000212216 [0,1,0,1,0,0|1,0,0]=3 13310 B10R1.217 C[C@H]1[C@H](CN1CCC#N)O 2230a_206633788156_100011215226 [0,1,0,1,0,0|1,0,1]=4 13311 B10R1.217 C[C@H]1[C@H](CN1CCC#N)O 269982a_206633788156_100011215226 [0,1,0,1,0,0|1,0,1]=4 13312 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 2230a_206633788156_100011934791 [0,1,0,1,0,0|1,0,0]=3 13313 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 269982a_206633788156_100011934791 [0,1,0,1,0,0|1,0,0]=3 13314 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 2230a_206633788156_100000230001 [0,1,0,1,0,0|1,0,0]=3 13315 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 269982a_206633788156_100011215043 [0,1,0,1,0,0|1,0,0]=3 13316 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,1,0,1,0,0|1,0,1]=4 13317 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,1,0,0|0,0,2]=4 13318 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,1,0,0|0,0,2]=4 13319 B10R1.461 CCC(C)C(=O)C1CC1C 1458a_100000211227_100000758301 [0,1,0,1,0,0|1,0,1]=4 13320 B10R1.6 CC(C)(O[13CH3])C1CCCC1 34a_100000745555_200025704644 [0,1,0,1,0,0|2,0,0]=4 13321 B10R1.6 CC(C)(O[13CH3])C1CCCC1 7a_100000745555_200025704644 [0,1,0,1,0,0|2,0,0]=4 13322 B10R1.6 CCC(C)(C)N1CCCC1 269982a_100000188435_100000032637 [0,1,0,1,0,0|2,0,0]=4 13323 B10R1.6 COC(C)(C)C1CCCC1 34a_100000745555_200000210301 [0,1,0,1,0,0|2,0,0]=4 13324 B10R1.6 COC(C)(C)C1CCCC1 7a_100000745555_200000210301 [0,1,0,1,0,0|2,0,0]=4 13325 B10R1.26 CC1(CCC(CC1)N[13CH3])C 2230a_100000757809_200025704644 [0,1,0,1,0,0|2,0,0]=4 13326 B10R1.26 CC1(CCC(CC1)N[13CH3])C 34a_100000757809_200025704644 [0,1,0,1,0,0|2,0,0]=4 13327 B10R1.26 CC1(CCC(CC1)O[13CH3])C 34a_100000703974_200025704644 [0,1,0,1,0,0|2,0,0]=4 13328 B10R1.26 CC1(CCC(CC1)O[13CH3])C 7a_100000703974_200025704644 [0,1,0,1,0,0|2,0,0]=4 13329 B10R1.26 CC1(CCN(CC1)CF)O 269982a_100000690209_100015361967 [0,1,0,1,0,0|2,0,0]=4 13330 B10R1.26 CCN1CCC(CC1)(C)C 2230a_100000750138_100000210202 [0,1,0,1,0,0|2,0,0]=4 13331 B10R1.26 CCN1CCC(CC1)(C)C 269982a_100000750138_100000204670 [0,1,0,1,0,0|2,0,0]=4 13332 B10R1.26 CCN1CCC(CC1)(C)O 2230a_100000690209_100000210202 [0,1,0,1,0,0|1,0,0]=3 13333 B10R1.26 CCN1CCC(CC1)(C)O 269982a_100000690209_100000204670 [0,1,0,1,0,0|1,0,0]=3 13334 B10R1.26 CCN1CCC(CC1)(F)F 2230a_100000724815_100000210202 [0,1,0,1,0,0|2,0,0]=4 13335 B10R1.26 CCN1CCC(CC1)(F)F 269982a_100000724815_100000204670 [0,1,0,1,0,0|2,0,0]=4 13336 B10R1.26 CCN1CCC(CC1)(F)F 34a_100000724815_100000210202 [0,1,0,1,0,0|2,0,0]=4 13337 B10R1.26 CCN1CCC(CC1)(O)O 269982a_100016987284_100000204670 [0,1,0,1,0,0|1,0,0]=3 13338 B10R1.26 CNC1CCC(CC1)(C)C 2230a_100000757809_200000210301 [0,1,0,1,0,0|2,0,0]=4 13339 B10R1.26 CNC1CCC(CC1)(C)C 270004a_106832991635_100000061838 [0,1,0,1,0,0|2,0,0]=4 13340 B10R1.26 CNC1CCC(CC1)(C)C 34a_100000757809_200000210301 [0,1,0,1,0,0|2,0,0]=4 13341 B10R1.26 CNC1CCC(CC1)(C)O 270004a_106832991635_100012184276 [0,1,0,1,0,0|1,0,0]=3 13342 B10R1.26 CNC1CCC(CC1)(F)F 2230a_100000694335_200000210301 [0,1,0,1,0,0|2,0,0]=4 13343 B10R1.26 CNC1CCC(CC1)(F)F 270004a_106832991635_100000052966 [0,1,0,1,0,0|2,0,0]=4 13344 B10R1.26 CNC1CCC(CC1)(F)F 34a_100000694335_200000210301 [0,1,0,1,0,0|2,0,0]=4 13345 B10R1.26 CNC1CCC(CC1)(F)F 34a_100102657272_100009865109 [0,1,0,1,0,0|2,0,0]=4 13346 B10R1.26 CNC1CCC(CC1)(F)F 7a_106832991635_100009865109 [0,1,0,1,0,0|2,0,0]=4 13347 B10R1.26 CN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_200000210301 [0,1,0,1,0,0|1,0,0]=3 13348 B10R1.26 CN[C@H]1CC[C@](CC1)(C)O 34a_202125554758_200000210301 [0,1,0,1,0,0|1,0,0]=3 13349 B10R1.26 COC1CCC(CC1)(C)C 34a_100000703974_200000210301 [0,1,0,1,0,0|2,0,0]=4 13350 B10R1.26 COC1CCC(CC1)(C)C 7a_100000703974_200000210301 [0,1,0,1,0,0|2,0,0]=4 13351 B10R1.26 COC1CCC(CC1)(F)F 34a_100000098475_200000210301 [0,1,0,1,0,0|2,0,0]=4 13352 B10R1.26 COC1CCC(CC1)(F)F 34a_100138415774_100009865109 [0,1,0,1,0,0|2,0,0]=4 13353 B10R1.26 COC1CCC(CC1)(F)F 7a_100000098475_200000210301 [0,1,0,1,0,0|2,0,0]=4 13354 B10R1.26 CSC1CCC(CC1)(F)F 62a_100009865109_200000210301 [0,1,0,1,0,0|2,0,0]=4 13355 B10R1.26 CSC1CCC(CC1)(F)F 62a_200000210301_100009865109 [0,1,0,1,0,0|2,0,0]=4 13356 B10R1.26 C[C@@]1(CC[C@@H](CC1)N[13CH3])O 2230a_202125554758_200025704644 [0,1,0,1,0,0|1,0,0]=3 13357 B10R1.26 C[C@@]1(CC[C@@H](CC1)N[13CH3])O 34a_202125554758_200025704644 [0,1,0,1,0,0|1,0,0]=3 13358 B10R1.26 OC1(CCN(CC1)CF)O 269982a_100016987284_100015361967 [0,1,0,1,0,0|2,0,0]=4 13359 B10R1.26 [13CH3]NC1CCC(CC1)(F)F 2230a_100000694335_200025704644 [0,1,0,1,0,0|2,0,0]=4 13360 B10R1.26 [13CH3]NC1CCC(CC1)(F)F 34a_100000694335_200025704644 [0,1,0,1,0,0|2,0,0]=4 13361 B10R1.26 [13CH3]OC1CCC(CC1)(F)F 34a_100000098475_200025704644 [0,1,0,1,0,0|2,0,0]=4 13362 B10R1.26 [13CH3]OC1CCC(CC1)(F)F 7a_100000098475_200025704644 [0,1,0,1,0,0|2,0,0]=4 13363 B10R1.26 [13CH3]SC1CCC(CC1)(F)F 62a_100009865109_200025704644 [0,1,0,1,0,0|2,0,0]=4 13364 B10R1.26 [13CH3]SC1CCC(CC1)(F)F 62a_200025704644_100009865109 [0,1,0,1,0,0|2,0,0]=4 13365 B10R1.95 CC1(CCN(C1)CCF)O 2230a_100000718628_100011217306 [0,1,0,1,0,0|2,0,0]=4 13366 B10R1.95 CC1(CCN(C1)CCF)O 269982a_100000718628_100011217306 [0,1,0,1,0,0|2,0,0]=4 13367 B10R1.95 CC1(CCN(C1)CCO)O 2230a_100000718628_100000211926 [0,1,0,1,0,0|2,0,0]=4 13368 B10R1.95 CC1(CCN(C1)CCO)O 269982a_100000718628_100000211926 [0,1,0,1,0,0|2,0,0]=4 13369 B10R1.95 CCCN1CCC(C1)(C)C 2230a_100000764714_100000210303 [0,1,0,1,0,0|2,0,0]=4 13370 B10R1.95 CCCN1CCC(C1)(C)C 269982a_100000764714_100000210303 [0,1,0,1,0,0|2,0,0]=4 13371 B10R1.95 CCCN1CCC(C1)(C)O 2230a_100000718628_100000210303 [0,1,0,1,0,0|1,0,0]=3 13372 B10R1.95 CCCN1CCC(C1)(C)O 269982a_100000718628_100000210303 [0,1,0,1,0,0|1,0,0]=3 13373 B10R1.95 CCCN1CCC(C1)(F)F 2230a_100000697292_100000210303 [0,1,0,1,0,0|2,0,0]=4 13374 B10R1.95 CCCN1CCC(C1)(F)F 269982a_100000697292_100000210303 [0,1,0,1,0,0|2,0,0]=4 13375 B10R1.95 CCCN1CCC(C1)(F)F 34a_100000697292_100000210303 [0,1,0,1,0,0|2,0,0]=4 13376 B10R1.95 CCNC1CCC(C1)(C)C 270004a_100015525214_100000759959 [0,1,0,1,0,0|2,0,0]=4 13377 B10R1.95 CCNC1CCC(C1)(F)F 2230a_100000689000_100000210202 [0,1,0,1,0,0|2,0,0]=4 13378 B10R1.95 CCNC1CCC(C1)(F)F 34a_100000689000_100000210202 [0,1,0,1,0,0|2,0,0]=4 13379 B10R1.95 COCN1CCC(C1)(C)O 2230a_100000718628_100000766300 [0,1,0,1,0,0|2,0,0]=4 13380 B10R1.95 COCN1CCC(C1)(C)O 269982a_100000718628_100000766300 [0,1,0,1,0,0|2,0,0]=4 13381 B10R1.95 CSCN1CCC(C1)(C)O 2230a_100000718628_100011218213 [0,1,0,1,0,0|2,0,0]=4 13382 B10R1.95 CSCN1CCC(C1)(C)O 269982a_100000718628_100011218213 [0,1,0,1,0,0|2,0,0]=4 13383 B10R1.102 CCC(C)(C)NC1CCC1 270004a_100000211385_100000241760 [0,1,0,1,0,0|2,0,0]=4 13384 B10R1.102 CCC(C)(C)SC1CCC1 62a_100000032637_100000749161 [0,1,0,1,0,0|2,0,0]=4 13385 B10R1.103 CCC(C)(C)NCC1CC1 2230a_100000211385_100000742324 [0,1,0,1,0,0|2,0,0]=4 13386 B10R1.103 CCC(C)(C)OCC1CC1 7a_100000210230_100000742324 [0,1,0,1,0,0|2,0,0]=4 13387 B10R1.103 CCC(C)(C)SCC1CC1 62a_100000032637_100000742324 [0,1,0,1,0,0|2,0,0]=4 13388 B10R1.103 CCC(C)(C)SCC1CC1 62a_100000756562_100000032637 [0,1,0,1,0,0|2,0,0]=4 13389 B10R1.104 CCC(C)(C)N1CCC1C 269982a_100000755817_100000032637 [0,1,0,1,0,0|2,0,0]=4 13390 B10R1.220 CCN1CCC(C1C)(C)C 2230a_100102837566_100000210202 [0,1,0,1,0,0|2,0,0]=4 13391 B10R1.220 CCN1CCC(C1C)(C)C 269982a_100102837566_100000204670 [0,1,0,1,0,0|2,0,0]=4 13392 B10R1.220 CCN1CCC(C1C)(C)C 34a_100102837566_100000210202 [0,1,0,1,0,0|2,0,0]=4 13393 B10R1.232 CC1(CCCCCC1)N[13CH3] 2230a_100000704638_200025704644 [0,1,0,1,0,0|2,0,0]=4 13394 B10R1.232 CC1(CCCCCC1)N[13CH3] 34a_100000704638_200025704644 [0,1,0,1,0,0|2,0,0]=4 13395 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [0,1,0,1,0,0|2,0,0]=4 13396 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [0,1,0,1,0,0|2,0,0]=4 13397 B10R1.232 CC1(CCCNCC1)O[13CH3] 34a_100000723723_200025704644 [0,1,0,1,0,0|2,0,0]=4 13398 B10R1.232 CNC1(CCCCCC1)C 2230a_100000704638_200000210301 [0,1,0,1,0,0|2,0,0]=4 13399 B10R1.232 CNC1(CCCCCC1)C 34a_100000704638_200000210301 [0,1,0,1,0,0|2,0,0]=4 13400 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [0,1,0,1,0,0|2,0,0]=4 13401 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [0,1,0,1,0,0|2,0,0]=4 13402 B10R1.232 COC1(CCCNCC1)C 34a_100000723723_200000210301 [0,1,0,1,0,0|2,0,0]=4 13403 B10R1.459 C#CC1(CC1)NCCCC 34a_100020639468_100000210210 [0,1,0,1,0,0|2,0,0]=4 13404 B10R1.459 CCC1(CO1)CNCCF 34a_100000724931_200000139556 [0,1,0,1,0,0|2,0,0]=4 13405 B10R1.459 CCC1(CO1)CNCCO 34a_100016990907_200000139556 [0,1,0,1,0,0|2,0,0]=4 13406 B10R1.459 CCC1(CO1)COCCBr 34a_100000211926_200000139556 [0,1,0,1,0,0|2,0,0]=4 13407 B10R1.459 CCC1(CO1)COCCN 34a_100000210304_200000139556 [0,1,0,1,0,0|2,0,0]=4 13408 B10R1.459 CCC1(CO1)CSCCF 62a_100011217306_200000139556 [0,1,0,1,0,0|2,0,0]=4 13409 B10R1.459 CCC1(CO1)CSCCF 62a_200000139556_100011217306 [0,1,0,1,0,0|2,0,0]=4 13410 B10R1.459 CCC1(CO1)CSCCO 62a_100000211926_200000139556 [0,1,0,1,0,0|2,0,0]=4 13411 B10R1.459 CCC1(CO1)CSCCO 62a_200000139556_100000211926 [0,1,0,1,0,0|2,0,0]=4 13412 B10R1.459 CCC1(CO1)CSCOC 62a_100000766300_200000139556 [0,1,0,1,0,0|2,0,0]=4 13413 B10R1.459 CCC1(CO1)CSCOC 62a_200000139556_100000766300 [0,1,0,1,0,0|2,0,0]=4 13414 B10R1.459 CCC1(CO1)CSCSC 62a_100011218213_200000139556 [0,1,0,1,0,0|2,0,0]=4 13415 B10R1.459 CCC1(CO1)CSCSC 62a_200000139556_100011218213 [0,1,0,1,0,0|2,0,0]=4 13416 B10R1.459 CCCCNC1(CC1)C#N 2230a_100000756336_100000210211 [0,1,0,1,0,0|2,0,0]=4 13417 B10R1.459 CCCCNC1(CC1)C#N 34a_100000756336_100000210210 [0,1,0,1,0,0|2,0,0]=4 13418 B10R1.459 CCCCNC1(CC1)CC 2230a_100000732774_100000210211 [0,1,0,1,0,0|2,0,0]=4 13419 B10R1.459 CCCCNC1(CC1)CF 2230a_100000054953_100000210211 [0,1,0,1,0,0|2,0,0]=4 13420 B10R1.459 CCCCNC1(CC1)CF 34a_100000054953_100000210210 [0,1,0,1,0,0|2,0,0]=4 13421 B10R1.459 CCCCOC1(CC1)C#N 34a_100000210227_100009889376 [0,1,0,1,0,0|2,0,0]=4 13422 B10R1.459 CCCCSC1(CC1)C#N 62a_100000210211_100009889376 [0,1,0,1,0,0|2,0,0]=4 13423 B10R1.459 CCCCSC1(CC1)C#N 62a_100009889376_100000210210 [0,1,0,1,0,0|2,0,0]=4 13424 B10R1.459 CCCNCC1(CC1)C#N 2230a_100000725504_100000210303 [0,1,0,1,0,0|2,0,0]=4 13425 B10R1.459 CCCNCC1(CC1)CO 2230a_100000757901_100000210303 [0,1,0,1,0,0|1,0,0]=3 13426 B10R1.459 CCCOCC1(CC1)C#N 34a_100000210258_100000695377 [0,1,0,1,0,0|2,0,0]=4 13427 B10R1.459 CCCOCC1(CC1)C#N 34a_100000688837_100000210303 [0,1,0,1,0,0|2,0,0]=4 13428 B10R1.459 CCCOCC1(CC1)C#N 7a_100000688837_100000210303 [0,1,0,1,0,0|2,0,0]=4 13429 B10R1.459 CCCOCC1(CO1)CC 34a_100000210258_200000139556 [0,1,0,1,0,0|1,0,0]=3 13430 B10R1.459 CCCSCC1(CC1)C#N 62a_100000210303_100000695377 [0,1,0,1,0,0|2,0,0]=4 13431 B10R1.459 CCCSCC1(CC1)C#N 62a_100000695377_100000210303 [0,1,0,1,0,0|2,0,0]=4 13432 B10R1.459 CCCSCC1(CO1)CC 62a_100000210303_200000139556 [0,1,0,1,0,0|1,0,0]=3 13433 B10R1.459 CCCSCC1(CO1)CC 62a_200000139556_100000210303 [0,1,0,1,0,0|1,0,0]=3 13434 B10R1.459 COCNCC1(CC1)CO 2230a_100000757901_100000766300 [0,1,0,1,0,0|2,0,0]=4 13435 B10R1.459 CSCNCC1(CC1)CO 2230a_100000757901_100011218213 [0,1,0,1,0,0|2,0,0]=4 13436 B10R1.459 OCC1(CC1)CNCCF 2230a_100000757901_100011217306 [0,1,0,1,0,0|2,0,0]=4 13437 B10R1.459 OCCNCC1(CC1)CO 2230a_100000757901_100000211926 [0,1,0,1,0,0|2,0,0]=4 13438 B10R1.532 CCC1(CN(C1)CCF)O 2230a_100015191684_100011217306 [0,1,0,1,0,0|2,0,0]=4 13439 B10R1.532 CCC1(CN(C1)CCF)O 269982a_100015191684_100011217306 [0,1,0,1,0,0|2,0,0]=4 13440 B10R1.532 CCC1(CN(C1)CCO)O 2230a_100015191684_100000211926 [0,1,0,1,0,0|2,0,0]=4 13441 B10R1.532 CCC1(CN(C1)CCO)O 269982a_100015191684_100000211926 [0,1,0,1,0,0|2,0,0]=4 13442 B10R1.532 CCC1(CN(C1)COC)O 2230a_100015191684_100000766300 [0,1,0,1,0,0|2,0,0]=4 13443 B10R1.532 CCC1(CN(C1)COC)O 269982a_100015191684_100000766300 [0,1,0,1,0,0|2,0,0]=4 13444 B10R1.532 CCC1(CN(C1)CSC)O 2230a_100015191684_100011218213 [0,1,0,1,0,0|2,0,0]=4 13445 B10R1.532 CCC1(CN(C1)CSC)O 269982a_100015191684_100011218213 [0,1,0,1,0,0|2,0,0]=4 13446 B10R1.532 CCCN1CC(C1)(O)CC 2230a_100015191684_100000210303 [0,1,0,1,0,0|1,0,0]=3 13447 B10R1.532 CCCN1CC(C1)(O)CC 269982a_100015191684_100000210303 [0,1,0,1,0,0|1,0,0]=3 13448 B10R1.3 C#CC1CCC(CC1)NC 270004a_106832991635_100000722563 [0,1,0,1,0,0|2,0,0]=4 13449 B10R1.3 C#CC1CCN(CC1)CC 2230a_100016991398_100000210202 [0,1,0,1,0,0|2,0,0]=4 13450 B10R1.3 C#CC1CCN(CC1)CC 269982a_100016991398_100000204670 [0,1,0,1,0,0|2,0,0]=4 13451 B10R1.3 C#CC1CCN(CC1)CC 34a_100016991398_100000210202 [0,1,0,1,0,0|2,0,0]=4 13452 B10R1.3 CCC1CCC(CC1)NC 2230a_100011194317_200000210301 [0,1,0,1,0,0|1,0,0]=3 13453 B10R1.3 CCC1CCC(CC1)NC 270004a_106832991635_100000210631 [0,1,0,1,0,0|1,0,0]=3 13454 B10R1.3 CCC1CCC(CC1)NC 34a_100011194317_200000210301 [0,1,0,1,0,0|1,0,0]=3 13455 B10R1.3 CCC1CCC(CC1)N[13CH3] 2230a_100011194317_200025704644 [0,1,0,1,0,0|1,0,0]=3 13456 B10R1.3 CCC1CCC(CC1)N[13CH3] 34a_100011194317_200025704644 [0,1,0,1,0,0|1,0,0]=3 13457 B10R1.3 CCC1CCC(CC1)OC 34a_100011215326_200000210301 [0,1,0,1,0,0|0,0,0]=2 13458 B10R1.3 CCC1CCC(CC1)OC 7a_100011215326_200000210301 [0,1,0,1,0,0|0,0,0]=2 13459 B10R1.3 CCC1CCC(CC1)O[13CH3] 34a_100011215326_200025704644 [0,1,0,1,0,0|0,0,0]=2 13460 B10R1.3 CCC1CCC(CC1)O[13CH3] 7a_100011215326_200025704644 [0,1,0,1,0,0|0,0,0]=2 13461 B10R1.3 CCC1CCN(CC1)CC 2230a_100000754474_100000210202 [0,1,0,1,0,0|2,0,0]=4 13462 B10R1.3 CCC1CCN(CC1)CC 269982a_100000754474_100000204670 [0,1,0,1,0,0|2,0,0]=4 13463 B10R1.3 CCC1CCN(CC1)CC 34a_100000754474_100000210202 [0,1,0,1,0,0|2,0,0]=4 13464 B10R1.3 CCC1CCN(CC1)CF 269982a_100000754474_100015361967 [0,1,0,1,0,0|2,0,0]=4 13465 B10R1.3 CCC1CCN(CC1)CF 34a_100000754474_100015361967 [0,1,0,1,0,0|2,0,0]=4 13466 B10R1.3 CCN1CCC(CC1)C#N 2230a_100000747632_100000210202 [0,1,0,1,0,0|2,0,0]=4 13467 B10R1.3 CCN1CCC(CC1)CF 2230a_100015203933_100000210202 [0,1,0,1,0,0|2,0,0]=4 13468 B10R1.3 CCN1CCC(CC1)CF 269982a_100015203933_100000204670 [0,1,0,1,0,0|2,0,0]=4 13469 B10R1.3 CCN1CCC(CC1)CF 34a_100015203933_100000210202 [0,1,0,1,0,0|2,0,0]=4 13470 B10R1.3 CCN1CCC(CC1)CO 2230a_100000738675_100000210202 [0,1,0,1,0,0|1,0,0]=3 13471 B10R1.3 CCN1CCC(CC1)CO 269982a_100000738675_100000204670 [0,1,0,1,0,0|1,0,0]=3 13472 B10R1.3 CCN1CCC(CC1)CO 34a_100000738675_100000210202 [0,1,0,1,0,0|1,0,0]=3 13473 B10R1.3 CCN1CCC(CC1)NC 2230a_100000199033_200000210301 [0,1,0,1,0,0|2,0,0]=4 13474 B10R1.3 CCN1CCC(CC1)NC 270004a_106832991635_100000211075 [0,1,0,1,0,0|2,0,0]=4 13475 B10R1.3 CCN1CCC(CC1)N[13CH3] 2230a_100000199033_200025704644 [0,1,0,1,0,0|2,0,0]=4 13476 B10R1.3 CCN1CCC(CC1)OC 2230a_100000234800_100000210202 [0,1,0,1,0,0|1,0,0]=3 13477 B10R1.3 CCN1CCC(CC1)OC 269982a_100000234800_100000204670 [0,1,0,1,0,0|1,0,0]=3 13478 B10R1.3 CCN1CCC(CC1)OC 34a_100000234800_100000210202 [0,1,0,1,0,0|1,0,0]=3 13479 B10R1.3 CCN1CCC(CC1)OC 7a_100000231353_200000210301 [0,1,0,1,0,0|1,0,0]=3 13480 B10R1.3 CCN1CCC(CC1)O[13CH3] 7a_100000231353_200025704644 [0,1,0,1,0,0|1,0,0]=3 13481 B10R1.3 CCN1CCC(CC1)SC 2230a_100015202541_100000210202 [0,1,0,1,0,0|1,1,0]=4 13482 B10R1.3 CCN1CCC(CC1)SC 269982a_100015202541_100000204670 [0,1,0,1,0,0|1,1,0]=4 13483 B10R1.3 CCN1CCC(CC1)SC 34a_100015202541_100000210202 [0,1,0,1,0,0|1,1,0]=4 13484 B10R1.3 CNC1CCC(CC1)C#N 2230a_100102422146_200000210301 [0,1,0,1,0,0|2,0,0]=4 13485 B10R1.3 CNC1CCC(CC1)C#N 270004a_106832991635_100009880307 [0,1,0,1,0,0|2,0,0]=4 13486 B10R1.3 CNC1CCC(CC1)C#N 34a_100102422146_200000210301 [0,1,0,1,0,0|2,0,0]=4 13487 B10R1.3 CNC1CCC(CC1)CO 270004a_106832991635_100000062911 [0,1,0,1,0,0|1,0,0]=3 13488 B10R1.3 CNC1CCC(CC1)NC 270004a_106832991635_200016988011 [0,1,0,1,0,0|2,0,0]=4 13489 B10R1.3 CNC1CCC(CC1)OC 270004a_106832991635_100000747084 [0,1,0,1,0,0|1,0,0]=3 13490 B10R1.3 CNC1CCC(CC1)OC 34a_100015205214_200000210301 [0,1,0,1,0,0|1,0,0]=3 13491 B10R1.3 CN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_200000210301 [0,1,0,1,0,0|1,0,0]=3 13492 B10R1.3 CN[C@H]1CC[C@H](CC1)OC 34a_100020636401_200000210301 [0,1,0,1,0,0|1,0,0]=3 13493 B10R1.3 CN[C@H]1CC[C@H](CC1)O[13CH3] 34a_100020636401_200025704644 [0,1,0,1,0,0|1,0,0]=3 13494 B10R1.3 COC1CCC(CC1)C#N 34a_100009859913_200000210301 [0,1,0,1,0,0|1,0,1]=4 13495 B10R1.3 COC1CCC(CC1)C#N 7a_100009859913_200000210301 [0,1,0,1,0,0|1,0,1]=4 13496 B10R1.3 COC1CCC(CC1)N[13CH3] 34a_100015205214_200025704644 [0,1,0,1,0,0|1,0,0]=3 13497 B10R1.3 COC1CCC(CC1)OC 34a_100011581665_200000210301 [0,1,0,1,0,0|1,0,0]=3 13498 B10R1.3 COC1CCC(CC1)OC 7a_100011581665_200000210301 [0,1,0,1,0,0|1,0,0]=3 13499 B10R1.3 COC1CCC(CC1)O[13CH3] 34a_100011581665_200025704644 [0,1,0,1,0,0|1,0,0]=3 13500 B10R1.3 COC1CCC(CC1)O[13CH3] 7a_100011581665_200025704644 [0,1,0,1,0,0|1,0,0]=3 13501 B10R1.3 COC1CCN(CC1)CF 269982a_100000234800_100015361967 [0,1,0,1,0,0|2,0,0]=4 13502 B10R1.3 COC1CCN(CC1)CF 34a_100000234800_100015361967 [0,1,0,1,0,0|2,0,0]=4 13503 B10R1.3 OCC1CCN(CC1)CF 269982a_100000738675_100015361967 [0,1,0,1,0,0|2,0,0]=4 13504 B10R1.3 OCC1CCN(CC1)CF 34a_100000738675_100015361967 [0,1,0,1,0,0|2,0,0]=4 13505 B10R1.3 [13CH3]NC1CCC(CC1)C#N 2230a_100102422146_200025704644 [0,1,0,1,0,0|2,0,0]=4 13506 B10R1.3 [13CH3]NC1CCC(CC1)C#N 34a_100102422146_200025704644 [0,1,0,1,0,0|2,0,0]=4 13507 B10R1.3 [13CH3]N[C@H]1CC[C@@H](CC1)CO 34a_100009821084_200025704644 [0,1,0,1,0,0|1,0,0]=3 13508 B10R1.3 [13CH3]OC1CCC(CC1)C#N 34a_100009859913_200025704644 [0,1,0,1,0,0|1,0,1]=4 13509 B10R1.3 [13CH3]OC1CCC(CC1)C#N 7a_100009859913_200025704644 [0,1,0,1,0,0|1,0,1]=4 13510 B10R1.151 C=CC(O)CNC1CCC1 2230a_100000749019_100000730141 [0,1,0,1,0,0|0,0,2]=4 13511 B10R1.151 C=CC(O)CNC1CCC1 34a_100000749019_100000730141 [0,1,0,1,0,0|0,0,2]=4 13512 B10R1.151 C=CC(O)COC1CCC1 34a_100000748187_100000730141 [0,1,0,1,0,0|0,0,2]=4 13513 B10R1.151 C=CC(O)CSC1CCC1 62a_100000730141_100000749161 [0,1,0,1,0,0|0,0,2]=4 13514 B10R1.151 CC(CF)OCC1CCC1 34a_100016041109_100000763275 [0,1,0,1,0,0|2,0,0]=4 13515 B10R1.151 CC(CF)OCC1CCC1 7a_100016041109_100000763275 [0,1,0,1,0,0|2,0,0]=4 13516 B10R1.151 CC(CF)OCC1CCO1 34a_100016041109_100000103362 [0,1,0,1,0,0|2,0,0]=4 13517 B10R1.151 CC(CF)OCC1CCO1 7a_100016041109_100000103362 [0,1,0,1,0,0|2,0,0]=4 13518 B10R1.151 CC(CN)COC1CCC1 34a_100000744482_100000749161 [0,1,0,1,0,0|2,0,0]=4 13519 B10R1.151 CC(CN)OCC1CCC1 34a_100000210904_100000763275 [0,1,0,1,0,0|2,0,0]=4 13520 B10R1.151 CC(CN)OCC1CCO1 34a_100000210904_100000103362 [0,1,0,1,0,0|2,0,0]=4 13521 B10R1.151 CC(CO)CNC1CCC1 34a_100000744482_100000749161 [0,1,0,1,0,0|2,0,0]=4 13522 B10R1.151 CC(CO)NCC1CCC1 2230a_100000738700_100012180447 [0,1,0,1,0,0|2,0,0]=4 13523 B10R1.151 CC(CO)NCC1CCC1 34a_100000738700_100012180447 [0,1,0,1,0,0|2,0,0]=4 13524 B10R1.151 CC(CO)NC[C@@H]1CCO1 2230a_100020831831_100012180447 [0,1,0,1,0,0|2,0,0]=4 13525 B10R1.151 CC(CO)NC[C@@H]1CCO1 34a_100020831831_100012180447 [0,1,0,1,0,0|2,0,0]=4 13526 B10R1.151 CC(CO)OCC1CCC1 34a_100000760304_100012180447 [0,1,0,1,0,0|2,0,0]=4 13527 B10R1.151 CC(CO)OCC1CCO1 34a_100000039022_100012180447 [0,1,0,1,0,0|2,0,0]=4 13528 B10R1.151 CC(CO)SCC1CCC1 62a_100012180447_100000763275 [0,1,0,1,0,0|2,0,0]=4 13529 B10R1.151 CC(CO)SCC1CCO1 62a_100012180447_100000103362 [0,1,0,1,0,0|2,0,0]=4 13530 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,1,0,1,0,0|0,0,2]=4 13531 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,1,0,1,0,0|0,0,2]=4 13532 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,1,0,0|0,0,2]=4 13533 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,1,0,0|0,0,2]=4 13534 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,1,0,0|0,0,2]=4 13535 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,1,0,0|0,0,2]=4 13536 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [0,1,0,1,0,0|1,0,1]=4 13537 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [0,1,0,1,0,0|1,0,1]=4 13538 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [0,1,0,1,0,0|1,0,1]=4 13539 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [0,1,0,1,0,0|1,0,1]=4 13540 B10R1.151 CCC(C)CNC1CCC1 2230a_100000749019_100000748023 [0,1,0,1,0,0|1,0,0]=3 13541 B10R1.151 CCC(C)CNC1CCC1 270004a_100020588543_100000241760 [0,1,0,1,0,0|1,0,0]=3 13542 B10R1.151 CCC(C)CNC1CCC1 34a_100000749019_100000748023 [0,1,0,1,0,0|1,0,0]=3 13543 B10R1.151 CCC(C)CNC1COC1 2230a_100016991112_100000748023 [0,1,0,1,0,0|2,0,0]=4 13544 B10R1.151 CCC(C)CNC1COC1 270004a_100016991112_100000243153 [0,1,0,1,0,0|2,0,0]=4 13545 B10R1.151 CCC(C)CNC1CSC1 270004a_100016994217_100000243153 [0,1,0,1,0,0|2,0,0]=4 13546 B10R1.151 CCC(C)COC1CCC1 34a_100000748187_100000748023 [0,1,0,1,0,0|1,0,0]=3 13547 B10R1.151 CCC(C)COC1CSC1 7a_100000072292_100000748023 [0,1,0,1,0,0|2,0,0]=4 13548 B10R1.151 CCC(C)CSC1CCC1 62a_100000748023_100000749161 [0,1,0,1,0,0|1,0,0]=3 13549 B10R1.151 CCC(C)CSC1COC1 62a_100000748023_100009818527 [0,1,0,1,0,0|2,0,0]=4 13550 B10R1.151 CCC(C)NCC1CCC1 2230a_100000209981_100000763275 [0,1,0,1,0,0|1,0,0]=3 13551 B10R1.151 CCC(C)NCC1CCC1 2230a_100000738700_100000758301 [0,1,0,1,0,0|1,0,0]=3 13552 B10R1.151 CCC(C)NCC1CCC1 269862a_100000209981_100000753134 [0,1,0,1,0,0|1,0,0]=3 13553 B10R1.151 CCC(C)NCC1CCC1 34a_100000738700_100011215416 [0,1,0,1,0,0|1,0,0]=3 13554 B10R1.151 CCC(C)NCC1CCO1 2230a_100000209981_100000103362 [0,1,0,1,0,0|1,0,0]=3 13555 B10R1.151 CCC(C)NCC1COC1 2230a_100000209981_100010264016 [0,1,0,1,0,0|2,0,0]=4 13556 B10R1.151 CCC(C)NCC1COC1 2230a_100015281925_100000758301 [0,1,0,1,0,0|2,0,0]=4 13557 B10R1.151 CCC(C)NCC1COC1 34a_100015281925_100011215416 [0,1,0,1,0,0|2,0,0]=4 13558 B10R1.151 CCC(C)NC[C@@H]1CCO1 2230a_100020831831_100000758301 [0,1,0,1,0,0|1,0,0]=3 13559 B10R1.151 CCC(C)NC[C@@H]1CCO1 34a_100020831831_100011215416 [0,1,0,1,0,0|1,0,0]=3 13560 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [0,1,0,1,0,0|1,0,0]=3 13561 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [0,1,0,1,0,0|1,0,0]=3 13562 B10R1.151 CCC(C)OCC1CCO1 34a_100000039022_100011215416 [0,1,0,1,0,0|1,0,0]=3 13563 B10R1.151 CCC(C)OCC1CCO1 7a_100000210228_100000103362 [0,1,0,1,0,0|1,0,0]=3 13564 B10R1.151 CCC(C)OCC1CNC1 34a_100016987283_100011215416 [0,1,0,1,0,0|2,0,0]=4 13565 B10R1.151 CCC(C)OCC1COC1 34a_100000060846_100011215416 [0,1,0,1,0,0|2,0,0]=4 13566 B10R1.151 CCC(C)OCC1COC1 7a_100000210228_100010264016 [0,1,0,1,0,0|2,0,0]=4 13567 B10R1.151 CCC(C)SCC1CCC1 62a_100000758301_100000763275 [0,1,0,1,0,0|1,0,0]=3 13568 B10R1.151 CCC(C)SCC1CCC1 62a_100000763275_100000758301 [0,1,0,1,0,0|1,0,0]=3 13569 B10R1.151 CCC(C)SCC1CCO1 62a_100000103362_100000758301 [0,1,0,1,0,0|1,0,0]=3 13570 B10R1.151 CCC(C)SCC1CCO1 62a_100000758301_100000103362 [0,1,0,1,0,0|1,0,0]=3 13571 B10R1.151 CCC(C)SCC1COC1 62a_100000758301_100010264016 [0,1,0,1,0,0|2,0,0]=4 13572 B10R1.151 CCC(C)SCC1COC1 62a_100010264016_100000758301 [0,1,0,1,0,0|2,0,0]=4 13573 B10R1.151 CCC(O)CNC1CCC1 2230a_100000749019_100011218378 [0,1,0,1,0,0|0,0,0]=2 13574 B10R1.151 CCC(O)CNC1CCC1 270004a_100011218483_100000241760 [0,1,0,1,0,0|0,0,0]=2 13575 B10R1.151 CCC(O)CNC1CCC1 34a_100000749019_100011218378 [0,1,0,1,0,0|0,0,0]=2 13576 B10R1.151 CCC(O)CNC1COC1 2230a_100016991112_100011218378 [0,1,0,1,0,0|1,0,0]=3 13577 B10R1.151 CCC(O)COC1CCC1 34a_100000748187_100011218378 [0,1,0,1,0,0|0,0,0]=2 13578 B10R1.151 CCC(O)COC1CSC1 7a_100000072292_100011218378 [0,1,0,1,0,0|1,0,0]=3 13579 B10R1.151 CCC(O)CSC1CCC1 62a_100011218378_100000749161 [0,1,0,1,0,0|0,0,0]=2 13580 B10R1.151 CCC(O)CSC1COC1 62a_100011218378_100009818527 [0,1,0,1,0,0|1,0,0]=3 13581 B10R1.151 CC[C@H](C)CNC1CCC1 2230a_100000749019_100009816398 [0,1,0,1,0,0|1,0,0]=3 13582 B10R1.151 CC[C@H](C)CNC1CCC1 34a_100000749019_100009816398 [0,1,0,1,0,0|1,0,0]=3 13583 B10R1.151 CC[C@H](C)CNC1COC1 2230a_100016991112_100009816398 [0,1,0,1,0,0|2,0,0]=4 13584 B10R1.151 CC[C@H](C)COC1CCC1 34a_100000748187_100009816398 [0,1,0,1,0,0|1,0,0]=3 13585 B10R1.151 CC[C@H](C)COC1COC1 7a_100009816381_100009818527 [0,1,0,1,0,0|2,0,0]=4 13586 B10R1.151 CC[C@H](C)COC1CSC1 7a_100000072292_100009816398 [0,1,0,1,0,0|2,0,0]=4 13587 B10R1.151 CC[C@H](C)CSC1CCC1 62a_100009816398_100000749161 [0,1,0,1,0,0|1,0,0]=3 13588 B10R1.151 CC[C@H](C)CSC1COC1 62a_100009816398_100009818527 [0,1,0,1,0,0|2,0,0]=4 13589 B10R1.151 COC(C)COC1CCC1 34a_100000690652_100000749161 [0,1,0,1,0,0|2,0,0]=4 13590 B10R1.151 COC(C)SCC1CCC1 62a_100000763275_100009879195 [0,1,0,1,0,0|2,0,0]=4 13591 B10R1.151 COC(C)SCC1CCC1 62a_100009879195_100000763275 [0,1,0,1,0,0|2,0,0]=4 13592 B10R1.151 COC(C)SCC1CCO1 62a_100000103362_100009879195 [0,1,0,1,0,0|2,0,0]=4 13593 B10R1.151 COC(C)SCC1CCO1 62a_100009879195_100000103362 [0,1,0,1,0,0|2,0,0]=4 13594 B10R1.151 CO[C@H](C)CNC1CCC1 270004a_100020591295_100000241760 [0,1,0,1,0,0|2,0,0]=4 13595 B10R1.151 C[C@@H](CO)CNC1CCC1 2230a_100000749019_100000059175 [0,1,0,1,0,0|2,0,0]=4 13596 B10R1.151 C[C@@H](CO)CNC1CCC1 34a_100000749019_100000059175 [0,1,0,1,0,0|2,0,0]=4 13597 B10R1.151 C[C@@H](CO)COC1CCC1 34a_100000748187_100000059175 [0,1,0,1,0,0|2,0,0]=4 13598 B10R1.151 C[C@@H](CO)CSC1CCC1 62a_100000059175_100000749161 [0,1,0,1,0,0|2,0,0]=4 13599 B10R1.151 C[C@H](CF)NCC1CCC1 269862a_100102880703_100000753134 [0,1,0,1,0,0|2,0,0]=4 13600 B10R1.151 C[C@H](CO)NCC1CCC1 2230a_100000737577_100000763275 [0,1,0,1,0,0|2,0,0]=4 13601 B10R1.151 C[C@H](CO)NCC1CCC1 269862a_100000737577_100000753134 [0,1,0,1,0,0|2,0,0]=4 13602 B10R1.151 C[C@H](CO)NCC1CCO1 2230a_100000737577_100000103362 [0,1,0,1,0,0|2,0,0]=4 13603 B10R1.151 C[C@H](CO)SCC1CCC1 62a_100000763275_100016084084 [0,1,0,1,0,0|2,0,0]=4 13604 B10R1.151 C[C@H](CO)SCC1CCC1 62a_100016084084_100000763275 [0,1,0,1,0,0|2,0,0]=4 13605 B10R1.151 C[C@H](CO)SCC1CCO1 62a_100000103362_100016084084 [0,1,0,1,0,0|2,0,0]=4 13606 B10R1.151 C[C@H](CO)SCC1CCO1 62a_100016084084_100000103362 [0,1,0,1,0,0|2,0,0]=4 13607 B10R1.151 ClCC(Cl)COC1CCC1 34a_100000033668_100000749161 [0,1,0,1,0,0|2,0,0]=4 13608 B10R1.151 NC[C@@H](F)COC1CCC1 34a_100015665980_100000749161 [0,1,0,1,0,0|2,0,0]=4 13609 B10R1.151 OCC(O)CNC1CCC1 2230a_100000749019_100011219619 [0,1,0,1,0,0|1,0,0]=3 13610 B10R1.151 OCC(O)CNC1CCC1 34a_100000749019_100011219619 [0,1,0,1,0,0|1,0,0]=3 13611 B10R1.151 OCC(O)CNC1COC1 2230a_100016991112_100011219619 [0,1,0,1,0,0|2,0,0]=4 13612 B10R1.151 OCC(O)COC1CCC1 34a_100000748187_100011219619 [0,1,0,1,0,0|1,0,0]=3 13613 B10R1.151 OCC(O)COC1CSC1 7a_100000072292_100011219619 [0,1,0,1,0,0|2,0,0]=4 13614 B10R1.151 OCC(O)CSC1CCC1 62a_100011219619_100000749161 [0,1,0,1,0,0|1,0,0]=3 13615 B10R1.151 OCC(O)CSC1COC1 62a_100011219619_100009818527 [0,1,0,1,0,0|2,0,0]=4 13616 B10R1.151 OC[C@H](F)CNC1CCC1 270004a_100015665980_100000241760 [0,1,0,1,0,0|2,0,0]=4 13617 B10R1.151 OC[C@H](F)CNC1CCC1 34a_100015665980_100000749161 [0,1,0,1,0,0|2,0,0]=4 13618 B10R1.151 OC[C@H](O)CNC1CCC1 2230a_100000749019_100009815848 [0,1,0,1,0,0|1,0,0]=3 13619 B10R1.151 OC[C@H](O)CNC1CCC1 34a_100000749019_100009815848 [0,1,0,1,0,0|1,0,0]=3 13620 B10R1.151 OC[C@H](O)CNC1COC1 2230a_100016991112_100009815848 [0,1,0,1,0,0|2,0,0]=4 13621 B10R1.151 OC[C@H](O)COC1CCC1 34a_100000748187_100009815848 [0,1,0,1,0,0|1,0,0]=3 13622 B10R1.151 OC[C@H](O)COC1CSC1 7a_100000072292_100009815848 [0,1,0,1,0,0|2,0,0]=4 13623 B10R1.151 OC[C@H](O)CSC1CCC1 62a_100009815848_100000749161 [0,1,0,1,0,0|1,0,0]=3 13624 B10R1.151 OC[C@H](O)CSC1COC1 62a_100009815848_100009818527 [0,1,0,1,0,0|2,0,0]=4 13625 B10R1.151 O[C@@H](CF)CNC1CCC1 2230a_100000749019_100015614560 [0,1,0,1,0,0|1,0,0]=3 13626 B10R1.151 O[C@@H](CF)CNC1CCC1 34a_100000749019_100015614560 [0,1,0,1,0,0|1,0,0]=3 13627 B10R1.151 O[C@@H](CF)CNC1COC1 2230a_100016991112_100015614560 [0,1,0,1,0,0|2,0,0]=4 13628 B10R1.151 O[C@@H](CF)COC1CCC1 34a_100000748187_100015614560 [0,1,0,1,0,0|1,0,0]=3 13629 B10R1.151 O[C@@H](CF)COC1CSC1 7a_100000072292_100015614560 [0,1,0,1,0,0|2,0,0]=4 13630 B10R1.151 O[C@@H](CF)CSC1CCC1 62a_100015614560_100000749161 [0,1,0,1,0,0|1,0,0]=3 13631 B10R1.151 O[C@@H](CF)CSC1COC1 62a_100015614560_100009818527 [0,1,0,1,0,0|2,0,0]=4 13632 B10R1.152 CC(CO)NCC1(CC1)O 2230a_100011936951_100012180447 [0,1,0,1,0,0|2,0,0]=4 13633 B10R1.152 CC1(CC1)NCC(O)CO 2230a_100000757604_100011219619 [0,1,0,1,0,0|2,0,0]=4 13634 B10R1.152 CC1(CC1)NC[C@@H](O)CF 2230a_100000757604_100015614560 [0,1,0,1,0,0|2,0,0]=4 13635 B10R1.152 CC1(CC1)NC[C@@H](O)CO 2230a_100000757604_100009815848 [0,1,0,1,0,0|2,0,0]=4 13636 B10R1.152 CC1(CC1)OCC(O)CO 7a_100011725673_100011219619 [0,1,0,1,0,0|2,0,0]=4 13637 B10R1.152 CC1(CC1)OC[C@@H](O)CF 7a_100011725673_100015614560 [0,1,0,1,0,0|2,0,0]=4 13638 B10R1.152 CC1(CC1)OC[C@@H](O)CO 7a_100011725673_100009815848 [0,1,0,1,0,0|2,0,0]=4 13639 B10R1.152 CCC(=O)NCC1(CC1)O 11a_100011936951_100000210414 [0,1,0,1,0,0|1,0,1]=4 13640 B10R1.152 CCC(=O)NCC1(CC1)O 240690a_100011936951_100000210414 [0,1,0,1,0,0|1,0,1]=4 13641 B10R1.152 CCC(=O)NCC1(CC1)O 527a_100011936951_100000210414 [0,1,0,1,0,0|1,0,1]=4 13642 B10R1.152 CCC(C)CNC1(CC1)C 2230a_100000757604_100000748023 [0,1,0,1,0,0|2,0,0]=4 13643 B10R1.152 CCC(C)COC1(CC1)C 7a_100011725673_100000748023 [0,1,0,1,0,0|2,0,0]=4 13644 B10R1.152 CCC(C)NCC1(CC1)C 2230a_100000766693_100000758301 [0,1,0,1,0,0|2,0,0]=4 13645 B10R1.152 CCC(C)NCC1(CC1)O 2230a_100011936951_100000758301 [0,1,0,1,0,0|1,0,0]=3 13646 B10R1.152 CCC(C)OCC1(CC1)C 7a_100000698024_100000758301 [0,1,0,1,0,0|2,0,0]=4 13647 B10R1.152 CCC(C)OCC1(CC1)F 34a_200000703853_100011215416 [0,1,0,1,0,0|2,0,0]=4 13648 B10R1.152 CCC(C)OCC1(CC1)F 7a_200000703853_100000758301 [0,1,0,1,0,0|2,0,0]=4 13649 B10R1.152 CCC(O)CNC1(CC1)C 2230a_100000757604_100011218378 [0,1,0,1,0,0|1,0,0]=3 13650 B10R1.152 CCC(O)COC1(CC1)C 7a_100011725673_100011218378 [0,1,0,1,0,0|1,0,0]=3 13651 B10R1.152 CC[C@H](C)CNC1(CC1)C 2230a_100000757604_100009816398 [0,1,0,1,0,0|2,0,0]=4 13652 B10R1.152 CC[C@H](C)COC1(CC1)C 7a_100011725673_100009816398 [0,1,0,1,0,0|2,0,0]=4 13653 B10R1.412 CC(CO)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100012180447 [0,1,0,1,0,0|2,0,0]=4 13654 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210414 [0,1,0,1,0,0|1,0,1]=4 13655 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210414 [0,1,0,1,0,0|1,0,1]=4 13656 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000210414 [0,1,0,1,0,0|1,0,1]=4 13657 B10R1.412 CCC(C)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000758301 [0,1,0,1,0,0|1,0,0]=3 13658 B10R1.412 CCC(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000758301 [0,1,0,1,0,0|1,0,0]=3 13659 B10R1.412 COC(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009879195 [0,1,0,1,0,0|2,0,0]=4 13660 B10R1.412 C[C@H](CO)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100016084084 [0,1,0,1,0,0|2,0,0]=4 13661 B10R1.463 C=CC(O)CN1CCC1C 34a_100000755817_100000730141 [0,1,0,1,0,0|0,0,2]=4 13662 B10R1.463 CC1CCN1CC(O)CO 34a_100000755817_100011219619 [0,1,0,1,0,0|1,0,0]=3 13663 B10R1.463 CC1CCN1C[C@@H](C)CO 269982a_100000755817_100000059175 [0,1,0,1,0,0|2,0,0]=4 13664 B10R1.463 CC1CCN1C[C@@H](C)CO 34a_100000755817_100000059175 [0,1,0,1,0,0|2,0,0]=4 13665 B10R1.463 CC1CCN1C[C@@H](O)CF 34a_100000755817_100015614560 [0,1,0,1,0,0|1,0,0]=3 13666 B10R1.463 CC1CCN1C[C@@H](O)CO 34a_100000755817_100009815848 [0,1,0,1,0,0|1,0,0]=3 13667 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [0,1,0,1,0,0|0,0,2]=4 13668 B10R1.463 CCC(C)CN1CCC1C 269982a_100000755817_100000748023 [0,1,0,1,0,0|1,0,0]=3 13669 B10R1.463 CCC(C)CN1CCC1C 34a_100000755817_100000748023 [0,1,0,1,0,0|1,0,0]=3 13670 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [0,1,0,1,0,0|0,0,0]=2 13671 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [0,1,0,1,0,0|0,0,0]=2 13672 B10R1.463 CC[C@H](C)CN1CCC1C 269982a_100000755817_100009816398 [0,1,0,1,0,0|1,0,0]=3 13673 B10R1.463 CC[C@H](C)CN1CCC1C 34a_100000755817_100009816398 [0,1,0,1,0,0|1,0,0]=3 13674 B10R1.473 CCC1(CCN(CC1)C)O 2230a_100000763344_200000210301 [0,1,0,1,0,0|1,0,0]=3 13675 B10R1.473 CCC1(CCN(CC1)C)O 269982a_100000763344_200000210301 [0,1,0,1,0,0|1,0,0]=3 13676 B10R1.473 CCC1(CCN(CC1)[13CH3])O 2230a_100000763344_200025704644 [0,1,0,1,0,0|1,0,0]=3 13677 B10R1.473 CCC1(CCN(CC1)[13CH3])O 269982a_100000763344_200025704644 [0,1,0,1,0,0|1,0,0]=3 13678 B10R1.473 CN1CCC(CC1)(O)CO 2230a_100012017390_200000210301 [0,1,0,1,0,0|2,0,0]=4 13679 B10R1.473 CN1CCC(CC1)(O)CO 269982a_100012017390_200000210301 [0,1,0,1,0,0|2,0,0]=4 13680 B10R1.473 CO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_200000210301 [0,1,0,1,0,0|2,0,0]=4 13681 B10R1.473 C[C@@]1(CC[C@@H](CC1)N)O[13CH3] 34a_202125554758_200025704644 [0,1,0,1,0,0|2,0,0]=4 13682 B10R1.473 [13CH3]N1CCC(CC1)(O)CO 2230a_100012017390_200025704644 [0,1,0,1,0,0|2,0,0]=4 13683 B10R1.473 [13CH3]N1CCC(CC1)(O)CO 269982a_100012017390_200025704644 [0,1,0,1,0,0|2,0,0]=4 13684 B10R1.8 CCN1CC(CC(C1)C)C 2230a_100000210448_100000210202 [0,1,0,1,0,0|2,0,0]=4 13685 B10R1.8 CCN1CC(CC(C1)C)C 269982a_100000210448_100000204670 [0,1,0,1,0,0|2,0,0]=4 13686 B10R1.8 CCN1CC(CC(C1)C)C 34a_100000210448_100000210202 [0,1,0,1,0,0|2,0,0]=4 13687 B10R1.8 CNC1CC(CC(C1)C)C 270004a_106832991635_100000753413 [0,1,0,1,0,0|2,0,0]=4 13688 B10R1.27 C=CC(O)CN1CCCC1 2230a_100000188435_100000730141 [0,1,0,1,0,0|0,0,2]=4 13689 B10R1.27 CC(CF)OC1CCCC1 34a_100016041109_100000179811 [0,1,0,1,0,0|2,0,0]=4 13690 B10R1.27 CC(CF)OC1CCCC1 7a_100016041109_100000179811 [0,1,0,1,0,0|2,0,0]=4 13691 B10R1.27 CC(CN)OC1CCCC1 34a_100000210904_100000179811 [0,1,0,1,0,0|2,0,0]=4 13692 B10R1.27 CC(CO)NC1CCCC1 2230a_100000211070_100012180447 [0,1,0,1,0,0|2,0,0]=4 13693 B10R1.27 CC(CO)NC1CCCC1 34a_100000211070_100012180447 [0,1,0,1,0,0|2,0,0]=4 13694 B10R1.27 CC(CO)OC1CCCC1 34a_100000210269_100012180447 [0,1,0,1,0,0|2,0,0]=4 13695 B10R1.27 CC(CO)OC1CCCC1 7a_100000210269_100012180447 [0,1,0,1,0,0|2,0,0]=4 13696 B10R1.27 CC(CO)SC1CCCC1 62a_100012180447_100000179811 [0,1,0,1,0,0|2,0,0]=4 13697 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|0,0,2]=4 13698 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|0,0,2]=4 13699 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|0,0,2]=4 13700 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,1,0,1,0,0|0,0,2]=4 13701 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,1,0,1,0,0|0,0,2]=4 13702 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,1,0,1,0,0|0,0,2]=4 13703 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,1,0,1,0,0|0,0,2]=4 13704 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,1,0,0|0,0,2]=4 13705 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,1,0,0|0,0,2]=4 13706 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,1,0,0|0,0,2]=4 13707 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,1,0,0|0,0,2]=4 13708 B10R1.27 CCC(C)CN1CCCC1 2230a_100000188435_100000748023 [0,1,0,1,0,0|1,0,0]=3 13709 B10R1.27 CCC(C)CN1CCCC1 269982a_100000188435_100000748023 [0,1,0,1,0,0|1,0,0]=3 13710 B10R1.27 CCC(C)CN1CCCC1 270004a_100000188435_100000243153 [0,1,0,1,0,0|1,0,0]=3 13711 B10R1.27 CCC(C)CN1CCSC1 2230a_100011215254_100000748023 [0,1,0,1,0,0|2,0,0]=4 13712 B10R1.27 CCC(C)CN1CCSC1 269982a_100011215254_100000748023 [0,1,0,1,0,0|2,0,0]=4 13713 B10R1.27 CCC(C)CN1CCSC1 270004a_100011215254_100000243153 [0,1,0,1,0,0|2,0,0]=4 13714 B10R1.27 CCC(C)NC1CCCC1 2230a_100000209981_100000179811 [0,1,0,1,0,0|1,0,0]=3 13715 B10R1.27 CCC(C)NC1CCCC1 2230a_100000211070_100000758301 [0,1,0,1,0,0|1,0,0]=3 13716 B10R1.27 CCC(C)NC1CCCC1 270004a_100000209981_100000210133 [0,1,0,1,0,0|1,0,0]=3 13717 B10R1.27 CCC(C)NC1CCCC1 34a_100000211070_100011215416 [0,1,0,1,0,0|1,0,0]=3 13718 B10R1.27 CCC(C)NC1CCOC1 2230a_100000209981_100000731011 [0,1,0,1,0,0|2,0,0]=4 13719 B10R1.27 CCC(C)NC1CCOC1 270004a_100000209981_100000752484 [0,1,0,1,0,0|2,0,0]=4 13720 B10R1.27 CCC(C)NC1CCSC1 270004a_100000209981_100000212027 [0,1,0,1,0,0|2,0,0]=4 13721 B10R1.27 CCC(C)N[C@@H]1CCOC1 2230a_200015188469_100000758301 [0,1,0,1,0,0|2,0,0]=4 13722 B10R1.27 CCC(C)N[C@H]1CCOC1 2230a_100015188467_100000758301 [0,1,0,1,0,0|2,0,0]=4 13723 B10R1.27 CCC(C)N[C@H]1CCOC1 34a_100015188467_100011215416 [0,1,0,1,0,0|2,0,0]=4 13724 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [0,1,0,1,0,0|1,0,0]=3 13725 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [0,1,0,1,0,0|1,0,0]=3 13726 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [0,1,0,1,0,0|1,0,0]=3 13727 B10R1.27 CCC(C)OC1CCCO1 34a_100000085407_100011215416 [0,1,0,1,0,0|2,0,0]=4 13728 B10R1.27 CCC(C)OC1CCOC1 7a_100000210228_100000731011 [0,1,0,1,0,0|2,0,0]=4 13729 B10R1.27 CCC(C)OC1CCSC1 7a_100011232664_100000758301 [0,1,0,1,0,0|2,0,0]=4 13730 B10R1.27 CCC(C)O[C@H]1CCOC1 34a_100000717292_100011215416 [0,1,0,1,0,0|2,0,0]=4 13731 B10R1.27 CCC(C)SC1CCCC1 62a_100000758301_100000179811 [0,1,0,1,0,0|1,0,0]=3 13732 B10R1.27 CCC(C)SC1CCCC1 62a_100011217020_100000758301 [0,1,0,1,0,0|1,0,0]=3 13733 B10R1.27 CCC(C)SC1CCOC1 62a_100000758301_100000690089 [0,1,0,1,0,0|2,0,0]=4 13734 B10R1.27 CCC(O)CN1CC=CC1 269982a_100015195280_100011218378 [0,1,0,1,0,0|0,0,2]=4 13735 B10R1.27 CCC(O)CN1CCCC1 2230a_100000188435_100011218378 [0,1,0,1,0,0|0,0,0]=2 13736 B10R1.27 CCC(O)CN1CCCC1 269982a_100000188435_100011218378 [0,1,0,1,0,0|0,0,0]=2 13737 B10R1.27 CCC(O)CN1CCSC1 2230a_100011215254_100011218378 [0,1,0,1,0,0|1,0,0]=3 13738 B10R1.27 CCC(O)CN1CCSC1 269982a_100011215254_100011218378 [0,1,0,1,0,0|1,0,0]=3 13739 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [0,1,0,1,0,0|2,0,0]=4 13740 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [0,1,0,1,0,0|2,0,0]=4 13741 B10R1.27 CCN(C)CC1CCCO1 2230a_100000186375_200000210301 [0,1,0,1,0,0|2,0,0]=4 13742 B10R1.27 CCN(C)CC1CCCO1 2230a_100000225621_100000203698 [0,1,0,1,0,0|2,0,0]=4 13743 B10R1.27 CCN(C)CC1CCCO1 2230a_100102946541_100000210202 [0,1,0,1,0,0|2,0,0]=4 13744 B10R1.27 CCN(C)CC1CCCO1 269982a_100000186375_200000210301 [0,1,0,1,0,0|2,0,0]=4 13745 B10R1.27 CCN(C)CC1CCCO1 269982a_100000225621_100000183445 [0,1,0,1,0,0|2,0,0]=4 13746 B10R1.27 CCN(C)CC1CCCO1 269982a_100102946541_100000204670 [0,1,0,1,0,0|2,0,0]=4 13747 B10R1.27 CCN(C)CC1CCCO1 34a_100000186375_200000210301 [0,1,0,1,0,0|2,0,0]=4 13748 B10R1.27 CCN(C)CC1CCCO1 34a_100102946541_100000210202 [0,1,0,1,0,0|2,0,0]=4 13749 B10R1.27 CCN(C)CC1CCOC1 2230a_100000225621_100000702531 [0,1,0,1,0,0|2,0,0]=4 13750 B10R1.27 CCN(C)CC1CCOC1 2230a_100000684583_100000210202 [0,1,0,1,0,0|2,0,0]=4 13751 B10R1.27 CCN(C)CC1CCOC1 269982a_100000225621_100000702531 [0,1,0,1,0,0|2,0,0]=4 13752 B10R1.27 CCN(C)CC1CCOC1 269982a_100000684583_100000204670 [0,1,0,1,0,0|2,0,0]=4 13753 B10R1.27 CCN(C)CC1CCOC1 34a_100000684583_100000210202 [0,1,0,1,0,0|2,0,0]=4 13754 B10R1.27 CCN([13CH3])CC1CCCO1 2230a_100000186375_200025704644 [0,1,0,1,0,0|2,0,0]=4 13755 B10R1.27 CCN([13CH3])CC1CCCO1 269982a_100000186375_200025704644 [0,1,0,1,0,0|2,0,0]=4 13756 B10R1.27 CCN([13CH3])CC1CCCO1 34a_100000186375_200025704644 [0,1,0,1,0,0|2,0,0]=4 13757 B10R1.27 CC[C@H](C)CN1CCCC1 2230a_100000188435_100009816398 [0,1,0,1,0,0|1,0,0]=3 13758 B10R1.27 CC[C@H](C)CN1CCCC1 269982a_100000188435_100009816398 [0,1,0,1,0,0|1,0,0]=3 13759 B10R1.27 CC[C@H](C)CN1CCSC1 2230a_100011215254_100009816398 [0,1,0,1,0,0|2,0,0]=4 13760 B10R1.27 CC[C@H](C)CN1CCSC1 269982a_100011215254_100009816398 [0,1,0,1,0,0|2,0,0]=4 13761 B10R1.27 CNC(C)CC1CCCC1 270004a_106832991635_100000692464 [0,1,0,1,0,0|2,0,0]=4 13762 B10R1.27 COC(C)SC1CCCC1 62a_100009879195_100000179811 [0,1,0,1,0,0|2,0,0]=4 13763 B10R1.27 COC(C)SC1CCCC1 62a_100011217020_100009879195 [0,1,0,1,0,0|2,0,0]=4 13764 B10R1.27 C[C@@H](CO)CN1CCCC1 2230a_100000188435_100000059175 [0,1,0,1,0,0|2,0,0]=4 13765 B10R1.27 C[C@@H](CO)CN1CCCC1 269982a_100000188435_100000059175 [0,1,0,1,0,0|2,0,0]=4 13766 B10R1.27 C[C@H](CF)NC1CCCC1 270004a_100102880703_100000210133 [0,1,0,1,0,0|2,0,0]=4 13767 B10R1.27 C[C@H](CO)NC1CCCC1 2230a_100000737577_100000179811 [0,1,0,1,0,0|2,0,0]=4 13768 B10R1.27 C[C@H](CO)NC1CCCC1 270004a_100000737577_100000210133 [0,1,0,1,0,0|2,0,0]=4 13769 B10R1.27 C[C@H](CO)SC1CCCC1 62a_100011217020_100016084084 [0,1,0,1,0,0|2,0,0]=4 13770 B10R1.27 C[C@H](CO)SC1CCCC1 62a_100016084084_100000179811 [0,1,0,1,0,0|2,0,0]=4 13771 B10R1.27 OCC(O)CN1CCCC1 2230a_100000188435_100011219619 [0,1,0,1,0,0|1,0,0]=3 13772 B10R1.27 OCC(O)CN1CCSC1 2230a_100011215254_100011219619 [0,1,0,1,0,0|2,0,0]=4 13773 B10R1.27 OC[C@H](O)CN1CCCC1 2230a_100000188435_100009815848 [0,1,0,1,0,0|1,0,0]=3 13774 B10R1.27 OC[C@H](O)CN1CCSC1 2230a_100011215254_100009815848 [0,1,0,1,0,0|2,0,0]=4 13775 B10R1.27 O[C@@H](CF)CN1CCCC1 2230a_100000188435_100015614560 [0,1,0,1,0,0|1,0,0]=3 13776 B10R1.27 O[C@@H](CF)CN1CCSC1 2230a_100011215254_100015614560 [0,1,0,1,0,0|2,0,0]=4 13777 B10R1.131 CCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210303 [0,1,0,1,0,0|1,0,0]=3 13778 B10R1.131 CCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000210303 [0,1,0,1,0,0|1,0,0]=3 13779 B10R1.131 CCCN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100000210303 [0,1,0,1,0,0|2,0,0]=4 13780 B10R1.131 CCCN1C[C@H]([C@H](C1)F)F 34a_100103146936_100000210303 [0,1,0,1,0,0|2,0,0]=4 13781 B10R1.131 CCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210303 [0,1,0,1,0,0|1,0,0]=3 13782 B10R1.131 CCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210303 [0,1,0,1,0,0|1,0,0]=3 13783 B10R1.131 CCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210303 [0,1,0,1,0,0|1,0,0]=3 13784 B10R1.131 CCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210303 [0,1,0,1,0,0|1,0,0]=3 13785 B10R1.131 COCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000766300 [0,1,0,1,0,0|2,0,0]=4 13786 B10R1.131 COCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000766300 [0,1,0,1,0,0|2,0,0]=4 13787 B10R1.131 COCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000766300 [0,1,0,1,0,0|2,0,0]=4 13788 B10R1.131 COCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000766300 [0,1,0,1,0,0|2,0,0]=4 13789 B10R1.131 COCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000766300 [0,1,0,1,0,0|2,0,0]=4 13790 B10R1.131 COCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000766300 [0,1,0,1,0,0|2,0,0]=4 13791 B10R1.131 CSCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100011218213 [0,1,0,1,0,0|2,0,0]=4 13792 B10R1.131 CSCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100011218213 [0,1,0,1,0,0|2,0,0]=4 13793 B10R1.131 CSCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100011218213 [0,1,0,1,0,0|2,0,0]=4 13794 B10R1.131 CSCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100011218213 [0,1,0,1,0,0|2,0,0]=4 13795 B10R1.131 CSCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011218213 [0,1,0,1,0,0|2,0,0]=4 13796 B10R1.131 CSCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011218213 [0,1,0,1,0,0|2,0,0]=4 13797 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCF 2230a_200015306588_100011217306 [0,1,0,1,0,0|2,0,0]=4 13798 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCF 269982a_200015306588_100011217306 [0,1,0,1,0,0|2,0,0]=4 13799 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCO 2230a_200015306588_100000211926 [0,1,0,1,0,0|2,0,0]=4 13800 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCO 269982a_200015306588_100000211926 [0,1,0,1,0,0|2,0,0]=4 13801 B10R1.131 OCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000211926 [0,1,0,1,0,0|2,0,0]=4 13802 B10R1.131 OCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000211926 [0,1,0,1,0,0|2,0,0]=4 13803 B10R1.131 OCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000211926 [0,1,0,1,0,0|2,0,0]=4 13804 B10R1.131 OCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000211926 [0,1,0,1,0,0|2,0,0]=4 13805 B10R1.131 O[C@@H]1CN(C[C@@H]1O)CCF 2230a_100015207562_100011217306 [0,1,0,1,0,0|2,0,0]=4 13806 B10R1.131 O[C@@H]1CN(C[C@@H]1O)CCF 269982a_100015207562_100011217306 [0,1,0,1,0,0|2,0,0]=4 13807 B10R1.131 O[C@H]1CN(C[C@@H]1F)CCF 2230a_100020590056_100011217306 [0,1,0,1,0,0|2,0,0]=4 13808 B10R1.131 O[C@H]1CN(C[C@@H]1F)CCF 269982a_100020590056_100011217306 [0,1,0,1,0,0|2,0,0]=4 13809 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [0,1,0,1,0,0|1,0,1]=4 13810 B10R1.134 CCC(C)CN(C)C1CC1 2230a_100000226674_100000748023 [0,1,0,1,0,0|2,0,0]=4 13811 B10R1.134 CCC(C)CN(C)C1CC1 269982a_100000226674_100000748023 [0,1,0,1,0,0|2,0,0]=4 13812 B10R1.134 CCC(C)CN(C)C1CC1 269982a_100000753921_100000211595 [0,1,0,1,0,0|2,0,0]=4 13813 B10R1.134 CCC(C)CN(C)C1CC1 270004a_100000226674_100000243153 [0,1,0,1,0,0|2,0,0]=4 13814 B10R1.134 CCC(C)NC(C)C1CC1 2230a_100000700016_100000758301 [0,1,0,1,0,0|2,0,0]=4 13815 B10R1.134 CCC(C)NC(C)C1CC1 269862a_100000209981_100000210639 [0,1,0,1,0,0|2,0,0]=4 13816 B10R1.134 CCC(C)NC(C)C1CC1 34a_100000700016_100011215416 [0,1,0,1,0,0|2,0,0]=4 13817 B10R1.134 CCC(C)OC(C)C1CC1 34a_100000744524_100011215416 [0,1,0,1,0,0|2,0,0]=4 13818 B10R1.134 CCC(C)OC(C)C1CC1 7a_100000744524_100000758301 [0,1,0,1,0,0|2,0,0]=4 13819 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [0,1,0,1,0,0|0,0,1]=3 13820 B10R1.134 CCC(O)CC(=O)C1CO1 1458a_100000701028_100011218378 [0,1,0,1,0,0|1,0,1]=4 13821 B10R1.134 CCC(O)CN(C)C1CC1 2230a_100000226674_100011218378 [0,1,0,1,0,0|1,0,0]=3 13822 B10R1.134 CCC(O)CN(C)C1CC1 269982a_100000226674_100011218378 [0,1,0,1,0,0|1,0,0]=3 13823 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [0,1,0,1,0,0|1,0,1]=4 13824 B10R1.134 CC[C@H](C)CN(C)C1CC1 2230a_100000226674_100009816398 [0,1,0,1,0,0|2,0,0]=4 13825 B10R1.134 CC[C@H](C)CN(C)C1CC1 269982a_100000226674_100009816398 [0,1,0,1,0,0|2,0,0]=4 13826 B10R1.134 CN(CC(O)CO)C1CC1 2230a_100000226674_100011219619 [0,1,0,1,0,0|2,0,0]=4 13827 B10R1.134 CN(CC(O)CO)C1CC1 269982a_100011216503_100000211595 [0,1,0,1,0,0|2,0,0]=4 13828 B10R1.134 CN(C[C@@H](O)CF)C1CC1 2230a_100000226674_100015614560 [0,1,0,1,0,0|2,0,0]=4 13829 B10R1.134 CN(C[C@@H](O)CO)C1CC1 2230a_100000226674_100009815848 [0,1,0,1,0,0|2,0,0]=4 13830 B10R1.149 CC(CO)N1CCC[C@@H]1C 2230a_100020605311_100012180447 [0,1,0,1,0,0|2,0,0]=4 13831 B10R1.149 CC(CO)N1CCC[C@H]1C 2230a_100015189458_100012180447 [0,1,0,1,0,0|2,0,0]=4 13832 B10R1.149 CC(CO)N1CCC[C@H]1C 34a_100015189458_100012180447 [0,1,0,1,0,0|2,0,0]=4 13833 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|0,0,2]=4 13834 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,1,0,0|0,0,2]=4 13835 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,1,0,0|0,0,2]=4 13836 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,1,0,0|0,0,2]=4 13837 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,1,0,0|0,0,2]=4 13838 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,1,0,0|0,0,2]=4 13839 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,1,0,1,0,0|0,0,2]=4 13840 B10R1.149 CCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000758301 [0,1,0,1,0,0|1,0,0]=3 13841 B10R1.149 CCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000758301 [0,1,0,1,0,0|1,0,0]=3 13842 B10R1.149 CCC(C)N1CCC[C@H]1C 2230a_100015189458_100000758301 [0,1,0,1,0,0|1,0,0]=3 13843 B10R1.149 CCC(C)N1CCC[C@H]1C 269982a_100015189458_100000758301 [0,1,0,1,0,0|1,0,0]=3 13844 B10R1.149 CCC(C)N1CCC[C@H]1C 34a_100015189458_100011215416 [0,1,0,1,0,0|1,0,0]=3 13845 B10R1.149 CCC(C)N1CCSC1C 2230a_200011216479_100000758301 [0,1,0,1,0,0|2,0,0]=4 13846 B10R1.149 CCC(C)N1CCSC1C 269982a_200011216479_100000758301 [0,1,0,1,0,0|2,0,0]=4 13847 B10R1.149 CCC(C)N1CCSC1C 34a_200011216479_100011215416 [0,1,0,1,0,0|2,0,0]=4 13848 B10R1.149 CCN(C)[C@@H]1CCC[C@H]1O 269982a_100000225621_200016002552 [0,1,0,1,0,0|2,0,0]=4 13849 B10R1.149 COC(C)N1CCC[C@@H]1C 269982a_100020605311_100009879195 [0,1,0,1,0,0|2,0,0]=4 13850 B10R1.149 COC(C)N1CCC[C@H]1C 269982a_100015189458_100009879195 [0,1,0,1,0,0|2,0,0]=4 13851 B10R1.149 CO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_200000210301 [0,1,0,1,0,0|2,0,0]=4 13852 B10R1.149 C[C@H](CO)N1CCC[C@@H]1C 269982a_100020605311_100016084084 [0,1,0,1,0,0|2,0,0]=4 13853 B10R1.149 C[C@H](CO)N1CCC[C@H]1C 269982a_100015189458_100016084084 [0,1,0,1,0,0|2,0,0]=4 13854 B10R1.149 C[C@H](O[13CH3])[C@@H]1CCCN1C 34a_100160487421_200025704644 [0,1,0,1,0,0|2,0,0]=4 13855 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [0,1,0,1,0,0|2,0,0]=4 13856 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [0,1,0,1,0,0|2,0,0]=4 13857 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [0,1,0,1,0,0|1,0,1]=4 13858 B10R1.181 CCCC(C)NC1(CC1)C 2230a_100000757604_100000766640 [0,1,0,1,0,0|2,0,0]=4 13859 B10R1.181 CCCC(C)OC1(CC1)C 7a_100011725673_100000766640 [0,1,0,1,0,0|2,0,0]=4 13860 B10R1.429 CCC(=O)CC1(CCC1)C 1458a_100000210414_100000726658 [0,1,0,1,0,0|0,0,2]=4 13861 B10R1.429 CCC(C)NC1(CCC1)C 2230a_100000692455_100000758301 [0,1,0,1,0,0|2,0,0]=4 13862 B10R1.429 CCC(C)NC1(CCC1)C 34a_100000692455_100011215416 [0,1,0,1,0,0|2,0,0]=4 13863 B10R1.429 CCC(C)OC1(CCC1)C 34a_100000759064_100011215416 [0,1,0,1,0,0|2,0,0]=4 13864 B10R1.429 CCC(C)OC1(CCC1)C 7a_100000759064_100000758301 [0,1,0,1,0,0|2,0,0]=4 13865 B10R1.429 CCN(C)CC1(CCC1)C 2230a_100000225621_100000726658 [0,1,0,1,0,0|2,0,0]=4 13866 B10R1.429 CCN(C)CC1(CCC1)C 269982a_100000225621_100000726658 [0,1,0,1,0,0|2,0,0]=4 13867 B10R1.1 C#CCN1CCC(CC1)O 2230a_100025773856_100000038162 [0,1,0,1,0,0|0,0,2]=4 13868 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [0,1,0,1,0,0|1,0,1]=4 13869 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [0,1,0,1,0,0|1,0,1]=4 13870 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [0,1,0,1,0,0|1,0,1]=4 13871 B10R1.1 C=C1CCN(CC1)CCC 2230a_100000752442_100000210303 [0,1,0,1,0,0|1,0,1]=4 13872 B10R1.1 C=C1CCN(CC1)CCC 269982a_100000752442_100000210303 [0,1,0,1,0,0|1,0,1]=4 13873 B10R1.1 C=C1CCN(CC1)CCC 34a_100000752442_100000210303 [0,1,0,1,0,0|1,0,1]=4 13874 B10R1.1 C=CCN1CCC(CC1)O 2230a_100025773856_100000210623 [0,1,0,1,0,0|0,0,2]=4 13875 B10R1.1 C=CCN1CCC(CC1)O 269982a_100025773856_100000210623 [0,1,0,1,0,0|0,0,2]=4 13876 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,1,0,1,0,0|1,0,0]=3 13877 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,1,0,1,0,0|1,0,0]=3 13878 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,1,0,1,0,0|1,0,0]=3 13879 B10R1.1 CC1CCC(CC1)OCF 34a_100000210714_100015361967 [0,1,0,1,0,0|2,0,0]=4 13880 B10R1.1 CC1CCC(CC1)OCF 7a_100000210714_100015361967 [0,1,0,1,0,0|2,0,0]=4 13881 B10R1.1 CC1CCC(CC1)SCF 62a_100015361967_200011216234 [0,1,0,1,0,0|2,0,0]=4 13882 B10R1.1 CC1CCN(CC1)CCF 2230a_100000188429_100011217306 [0,1,0,1,0,0|2,0,0]=4 13883 B10R1.1 CC1CCN(CC1)CCF 269982a_100000188429_100011217306 [0,1,0,1,0,0|2,0,0]=4 13884 B10R1.1 CC1CCN(CC1)CCF 34a_100000188429_100011217306 [0,1,0,1,0,0|2,0,0]=4 13885 B10R1.1 CC1CCN(CC1)CCO 2230a_100000188429_100000211926 [0,1,0,1,0,0|2,0,0]=4 13886 B10R1.1 CC1CCN(CC1)CCO 269982a_100000188429_100000211926 [0,1,0,1,0,0|2,0,0]=4 13887 B10R1.1 CC1CCN(CC1)CCO 34a_100000188429_100000211926 [0,1,0,1,0,0|2,0,0]=4 13888 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 13889 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 13890 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 13891 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 13892 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 13893 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 13894 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [0,1,0,1,0,0|1,0,0]=3 13895 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [0,1,0,1,0,0|1,0,0]=3 13896 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [0,1,0,1,0,0|1,0,0]=3 13897 B10R1.1 CCCN1CCC(CC1)F 2230a_100015193889_100000210303 [0,1,0,1,0,0|1,0,0]=3 13898 B10R1.1 CCCN1CCC(CC1)F 269982a_100015193889_100000210303 [0,1,0,1,0,0|1,0,0]=3 13899 B10R1.1 CCCN1CCC(CC1)F 34a_100015193889_100000210303 [0,1,0,1,0,0|1,0,0]=3 13900 B10R1.1 CCCN1CCC(CC1)O 2230a_100025773856_100000210303 [0,1,0,1,0,0|0,0,0]=2 13901 B10R1.1 CCCN1CCC(CC1)O 269982a_100025773856_100000210303 [0,1,0,1,0,0|0,0,0]=2 13902 B10R1.1 CCCN1CCN(CC1)C 2230a_100000188432_100000210303 [0,1,0,1,0,0|2,0,0]=4 13903 B10R1.1 CCCN1CCN(CC1)C 2230a_100016989359_200000210301 [0,1,0,1,0,0|2,0,0]=4 13904 B10R1.1 CCCN1CCN(CC1)C 269982a_100000188432_100000210303 [0,1,0,1,0,0|2,0,0]=4 13905 B10R1.1 CCCN1CCN(CC1)C 269982a_100016989359_200000210301 [0,1,0,1,0,0|2,0,0]=4 13906 B10R1.1 CCCN1CCN(CC1)[13CH3] 2230a_100016989359_200025704644 [0,1,0,1,0,0|2,0,0]=4 13907 B10R1.1 CCCN1CCN(CC1)[13CH3] 269982a_100016989359_200025704644 [0,1,0,1,0,0|2,0,0]=4 13908 B10R1.1 CCCN1CCS(=O)CC1 2230a_100000752083_100000210303 [0,1,0,1,0,0|1,0,1]=4 13909 B10R1.1 CCCN1CCS(=O)CC1 269982a_100000752083_100000210303 [0,1,0,1,0,0|1,0,1]=4 13910 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,1,0,1,0,0|1,0,0]=3 13911 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [0,1,0,1,0,0|0,0,0]=2 13912 B10R1.1 CCNC1CCN(CC1)C 270004a_100015525214_100000210137 [0,1,0,1,0,0|2,0,0]=4 13913 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,1,0,1,0,0|1,0,0]=3 13914 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,1,0,1,0,0|1,0,0]=3 13915 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,1,0,0|0,0,2]=4 13916 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,1,0,0|0,0,2]=4 13917 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,1,0,1,0,0|1,0,0]=3 13918 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,1,0,1,0,0|1,0,0]=3 13919 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,1,0,1,0,0|1,0,0]=3 13920 B10R1.1 CCOC1CCN(CC1)C 2230a_100016990603_200000210301 [0,1,0,1,0,0|2,0,0]=4 13921 B10R1.1 CCOC1CCN(CC1)C 269982a_100016990603_200000210301 [0,1,0,1,0,0|2,0,0]=4 13922 B10R1.1 CCOC1CCN(CC1)C 34a_100016990603_200000210301 [0,1,0,1,0,0|2,0,0]=4 13923 B10R1.1 CCOC1CCN(CC1)[13CH3] 2230a_100016990603_200025704644 [0,1,0,1,0,0|2,0,0]=4 13924 B10R1.1 CCOC1CCN(CC1)[13CH3] 269982a_100016990603_200025704644 [0,1,0,1,0,0|2,0,0]=4 13925 B10R1.1 CCOC1CCN(CC1)[13CH3] 34a_100016990603_200025704644 [0,1,0,1,0,0|2,0,0]=4 13926 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,1,0,1,0,0|1,0,0]=3 13927 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,1,0,1,0,0|1,0,0]=3 13928 B10R1.1 CCSC1CCN(CC1)C 62a_100000210202_100011215917 [0,1,0,1,0,0|2,0,0]=4 13929 B10R1.1 CN1CCC(CC1)CCO 2230a_100015190746_200000210301 [0,1,0,1,0,0|2,0,0]=4 13930 B10R1.1 CN1CCC(CC1)CCO 269982a_100015190746_200000210301 [0,1,0,1,0,0|2,0,0]=4 13931 B10R1.1 CN1CCC(CC1)CCO 34a_100015190746_200000210301 [0,1,0,1,0,0|2,0,0]=4 13932 B10R1.1 CN1CCC(CC1)CS[13CH3] 62a_100015183002_200025704644 [0,1,0,1,0,0|2,0,0]=4 13933 B10R1.1 CN1CCC(CC1)CS[13CH3] 62a_200025704644_100015183002 [0,1,0,1,0,0|2,0,0]=4 13934 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,1,0,1,0,0|1,0,0]=3 13935 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,1,0,1,0,0|1,0,0]=3 13936 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,1,0,0|0,0,2]=4 13937 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,1,0,1,0,0|1,0,0]=3 13938 B10R1.1 COCC1CCN(CC1)C 2230a_100000755097_200000210301 [0,1,0,1,0,0|2,0,0]=4 13939 B10R1.1 COCC1CCN(CC1)C 269982a_100000755097_200000210301 [0,1,0,1,0,0|2,0,0]=4 13940 B10R1.1 COCC1CCN(CC1)C 34a_100000755097_200000210301 [0,1,0,1,0,0|2,0,0]=4 13941 B10R1.1 COCC1CCN(CC1)[13CH3] 2230a_100000755097_200025704644 [0,1,0,1,0,0|2,0,0]=4 13942 B10R1.1 COCC1CCN(CC1)[13CH3] 269982a_100000755097_200025704644 [0,1,0,1,0,0|2,0,0]=4 13943 B10R1.1 COCC1CCN(CC1)[13CH3] 34a_100000755097_200025704644 [0,1,0,1,0,0|2,0,0]=4 13944 B10R1.1 COCN1CCC(CC1)C 2230a_100000188429_100000766300 [0,1,0,1,0,0|2,0,0]=4 13945 B10R1.1 COCN1CCC(CC1)C 269982a_100000188429_100000766300 [0,1,0,1,0,0|2,0,0]=4 13946 B10R1.1 COCN1CCC(CC1)F 2230a_100015193889_100000766300 [0,1,0,1,0,0|2,0,0]=4 13947 B10R1.1 COCN1CCC(CC1)F 269982a_100015193889_100000766300 [0,1,0,1,0,0|2,0,0]=4 13948 B10R1.1 COCN1CCC(CC1)O 2230a_100025773856_100000766300 [0,1,0,1,0,0|1,0,0]=3 13949 B10R1.1 COCN1CCC(CC1)O 269982a_100025773856_100000766300 [0,1,0,1,0,0|1,0,0]=3 13950 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,1,0,1,0,0|1,0,0]=3 13951 B10R1.1 CSCC1CCN(CC1)C 2230a_100015187637_200000210301 [0,1,0,1,0,0|2,0,0]=4 13952 B10R1.1 CSCC1CCN(CC1)C 269982a_100015187637_200000210301 [0,1,0,1,0,0|2,0,0]=4 13953 B10R1.1 CSCC1CCN(CC1)C 34a_100015187637_200000210301 [0,1,0,1,0,0|2,0,0]=4 13954 B10R1.1 CSCC1CCN(CC1)C 62a_100015183002_200000210301 [0,1,0,1,0,0|2,0,0]=4 13955 B10R1.1 CSCC1CCN(CC1)C 62a_200000210301_100015183002 [0,1,0,1,0,0|2,0,0]=4 13956 B10R1.1 CSCC1CCN(CC1)[13CH3] 2230a_100015187637_200025704644 [0,1,0,1,0,0|2,0,0]=4 13957 B10R1.1 CSCC1CCN(CC1)[13CH3] 269982a_100015187637_200025704644 [0,1,0,1,0,0|2,0,0]=4 13958 B10R1.1 CSCC1CCN(CC1)[13CH3] 34a_100015187637_200025704644 [0,1,0,1,0,0|2,0,0]=4 13959 B10R1.1 CSCN1CCC(CC1)C 2230a_100000188429_100011218213 [0,1,0,1,0,0|2,0,0]=4 13960 B10R1.1 CSCN1CCC(CC1)C 269982a_100000188429_100011218213 [0,1,0,1,0,0|2,0,0]=4 13961 B10R1.1 CSCN1CCC(CC1)C 34a_100000188429_100011218213 [0,1,0,1,0,0|2,0,0]=4 13962 B10R1.1 CSCN1CCC(CC1)F 2230a_100015193889_100011218213 [0,1,0,1,0,0|2,0,0]=4 13963 B10R1.1 CSCN1CCC(CC1)F 269982a_100015193889_100011218213 [0,1,0,1,0,0|2,0,0]=4 13964 B10R1.1 CSCN1CCC(CC1)F 34a_100015193889_100011218213 [0,1,0,1,0,0|2,0,0]=4 13965 B10R1.1 CSCN1CCC(CC1)O 2230a_100025773856_100011218213 [0,1,0,1,0,0|1,0,0]=3 13966 B10R1.1 CSCN1CCC(CC1)O 269982a_100025773856_100011218213 [0,1,0,1,0,0|1,0,0]=3 13967 B10R1.1 C[C@H]1CC[C@@H](CC1)NCF 34a_100020625639_100015361967 [0,1,0,1,0,0|2,0,0]=4 13968 B10R1.1 FCCN1CCC(CC1)F 2230a_100015193889_100011217306 [0,1,0,1,0,0|2,0,0]=4 13969 B10R1.1 FCCN1CCC(CC1)F 269982a_100015193889_100011217306 [0,1,0,1,0,0|2,0,0]=4 13970 B10R1.1 FCCN1CCC(CC1)F 34a_100015193889_100011217306 [0,1,0,1,0,0|2,0,0]=4 13971 B10R1.1 N#CCN1CCC(CC1)O 2230a_100025773856_100011215382 [0,1,0,1,0,0|1,0,1]=4 13972 B10R1.1 N#CCN1CCC(CC1)O 269982a_100025773856_100011214920 [0,1,0,1,0,0|1,0,1]=4 13973 B10R1.1 N[C@H]1CC[C@H](CC1)OCF 34a_100020628982_100015361967 [0,1,0,1,0,0|2,0,0]=4 13974 B10R1.1 O=CCN1CCC(CC1)O 2230a_100025773856_200015260668 [0,1,0,1,0,0|1,0,1]=4 13975 B10R1.1 O=CCN1CCC(CC1)O 269982a_100025773856_200015260668 [0,1,0,1,0,0|1,0,1]=4 13976 B10R1.1 OC1CCN(CC1)CCF 2230a_100025773856_100011217306 [0,1,0,1,0,0|1,0,0]=3 13977 B10R1.1 OC1CCN(CC1)CCF 269982a_100025773856_100011217306 [0,1,0,1,0,0|1,0,0]=3 13978 B10R1.1 OCCN1CCC(CC1)F 2230a_100015193889_100000211926 [0,1,0,1,0,0|2,0,0]=4 13979 B10R1.1 OCCN1CCC(CC1)F 269982a_100015193889_100000211926 [0,1,0,1,0,0|2,0,0]=4 13980 B10R1.1 OCCN1CCC(CC1)F 34a_100015193889_100000211926 [0,1,0,1,0,0|2,0,0]=4 13981 B10R1.1 OCCN1CCC(CC1)O 2230a_100025773856_100000211926 [0,1,0,1,0,0|1,0,0]=3 13982 B10R1.1 OCCN1CCC(CC1)O 269982a_100025773856_100000211926 [0,1,0,1,0,0|1,0,0]=3 13983 B10R1.1 [13CH3]N1CCC(CC1)CCO 2230a_100015190746_200025704644 [0,1,0,1,0,0|2,0,0]=4 13984 B10R1.1 [13CH3]N1CCC(CC1)CCO 269982a_100015190746_200025704644 [0,1,0,1,0,0|2,0,0]=4 13985 B10R1.1 [13CH3]N1CCC(CC1)CCO 34a_100015190746_200025704644 [0,1,0,1,0,0|2,0,0]=4 13986 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,1,0,0|0,0,2]=4 13987 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,1,0,1,0,0|1,0,0]=3 13988 B10R1.2 CC1CCCC(C1C)N[13CH3] 2230a_100000211273_200025704644 [0,1,0,1,0,0|1,0,0]=3 13989 B10R1.2 CC1CCCC(C1C)N[13CH3] 34a_100000211273_200025704644 [0,1,0,1,0,0|1,0,0]=3 13990 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,1,0,1,0,0|0,0,0]=2 13991 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,1,0,1,0,0|0,0,0]=2 13992 B10R1.2 CNC1CCCC(C1C)C 2230a_100000211273_200000210301 [0,1,0,1,0,0|1,0,0]=3 13993 B10R1.2 CNC1CCCC(C1C)C 34a_100000211273_200000210301 [0,1,0,1,0,0|1,0,0]=3 13994 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,1,0,1,0,0|0,0,0]=2 13995 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,1,0,1,0,0|0,0,0]=2 13996 B10R1.16 C#CCCN1CCC(C1)O 2230a_100011215560_100000688953 [0,1,0,1,0,0|0,0,2]=4 13997 B10R1.16 C#CCCN1CCC(C1)O 269982a_100011215560_100000730999 [0,1,0,1,0,0|0,0,2]=4 13998 B10R1.16 C#CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000038162 [0,1,0,1,0,0|0,0,2]=4 13999 B10R1.16 C/C=C/CN1CCC(C1)O 269982a_100011215560_100102629194 [0,1,0,1,0,0|0,0,2]=4 14000 B10R1.16 C=CCCN1CCC(C1)O 2230a_100011215560_100000754431 [0,1,0,1,0,0|0,0,2]=4 14001 B10R1.16 C=CCCN1CCC(C1)O 269982a_100011215560_100000754431 [0,1,0,1,0,0|0,0,2]=4 14002 B10R1.16 C=CCNC1CCC(C1)O 270004a_100020586998_100012614533 [0,1,0,1,0,0|0,0,2]=4 14003 B10R1.16 C=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210623 [0,1,0,1,0,0|0,0,2]=4 14004 B10R1.16 CC#CCN1CCC(C1)O 2230a_100011215560_100000748600 [0,1,0,1,0,0|0,0,2]=4 14005 B10R1.16 CC1CCC(C1)NCCO 270004a_100000210304_100011215218 [0,1,0,1,0,0|2,0,0]=4 14006 B10R1.16 CC1CCC(C1)OCCF 34a_100000698185_100011217306 [0,1,0,1,0,0|2,0,0]=4 14007 B10R1.16 CC1CCC(C1)OCCO 34a_100000698185_100000211926 [0,1,0,1,0,0|2,0,0]=4 14008 B10R1.16 CC=CCN1CCC(C1)O 2230a_100011215560_100000070051 [0,1,0,1,0,0|0,0,2]=4 14009 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,1,0,1,0,0|0,0,0]=2 14010 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,1,0,1,0,0|0,0,0]=2 14011 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [0,1,0,1,0,0|1,0,0]=3 14012 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [0,1,0,1,0,0|1,0,0]=3 14013 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [0,1,0,1,0,0|1,0,0]=3 14014 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [0,1,0,1,0,0|1,0,0]=3 14015 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [0,1,0,1,0,0|1,0,0]=3 14016 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [0,1,0,1,0,0|1,0,0]=3 14017 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [0,1,0,1,0,0|1,0,0]=3 14018 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,1,0,1,0,0|0,0,0]=2 14019 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,1,0,1,0,0|0,0,0]=2 14020 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|0,0,2]=4 14021 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,1,0,1,0,0|1,0,0]=3 14022 B10R1.16 CCCSC1CCN(C1)C 62a_100000210303_200012183744 [0,1,0,1,0,0|2,0,0]=4 14023 B10R1.16 CCNN=C1CCC(C1)O 4a_100000756455_100012614533 [0,1,0,1,0,0|1,0,1]=4 14024 B10R1.16 CCOCC1CCN(C1)C 34a_100121572206_200000690779 [0,1,0,1,0,0|2,0,0]=4 14025 B10R1.16 CCOCN1CCC(C1)O 269982a_100011215560_100000739092 [0,1,0,1,0,0|1,0,0]=3 14026 B10R1.16 CCOCN1CC[C@@H](C1)F 269982a_100015203821_100000739092 [0,1,0,1,0,0|2,0,0]=4 14027 B10R1.16 CCOCN1CC[C@H](C1)C 269982a_100016987628_100000739092 [0,1,0,1,0,0|2,0,0]=4 14028 B10R1.16 CCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210202 [0,1,0,1,0,0|2,0,0]=4 14029 B10R1.16 CCSCC1CCN(C1)C 62a_100000210202_200000690779 [0,1,0,1,0,0|2,0,0]=4 14030 B10R1.16 CCSCC1CCN(C1)C 62a_200000690779_100000210202 [0,1,0,1,0,0|2,0,0]=4 14031 B10R1.16 COCCN1CCC(C1)O 2230a_100011215560_100011201679 [0,1,0,1,0,0|1,0,0]=3 14032 B10R1.16 COCCN1CCC(C1)O 269982a_100011215560_100000233755 [0,1,0,1,0,0|1,0,0]=3 14033 B10R1.16 COCCN1CC[C@@H](C1)F 2230a_100015203821_100011201679 [0,1,0,1,0,0|2,0,0]=4 14034 B10R1.16 COCCN1CC[C@@H](C1)F 269982a_100015203821_100000233755 [0,1,0,1,0,0|2,0,0]=4 14035 B10R1.16 COCCN1CC[C@@H](C1)F 34a_100015203821_100011201679 [0,1,0,1,0,0|2,0,0]=4 14036 B10R1.16 COCCN1CC[C@H](C1)C 2230a_100016987628_100011201679 [0,1,0,1,0,0|2,0,0]=4 14037 B10R1.16 COCCN1CC[C@H](C1)C 269982a_100016987628_100000233755 [0,1,0,1,0,0|2,0,0]=4 14038 B10R1.16 COCCN1CC[C@H](C1)C 34a_100016987628_100011201679 [0,1,0,1,0,0|2,0,0]=4 14039 B10R1.16 COCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000766300 [0,1,0,1,0,0|1,0,0]=3 14040 B10R1.16 CSCCN1CCC(C1)O 2230a_100011215560_100000751147 [0,1,0,1,0,0|1,0,0]=3 14041 B10R1.16 CSCCN1CCC(C1)O 269982a_100011215560_100000212216 [0,1,0,1,0,0|1,0,0]=3 14042 B10R1.16 CSCCN1CC[C@@H](C1)F 2230a_100015203821_100000751147 [0,1,0,1,0,0|2,0,0]=4 14043 B10R1.16 CSCCN1CC[C@@H](C1)F 269982a_100015203821_100000212216 [0,1,0,1,0,0|2,0,0]=4 14044 B10R1.16 CSCCN1CC[C@@H](C1)F 34a_100015203821_100000212216 [0,1,0,1,0,0|2,0,0]=4 14045 B10R1.16 CSCCN1CC[C@H](C1)C 2230a_100016987628_100000751147 [0,1,0,1,0,0|2,0,0]=4 14046 B10R1.16 CSCCN1CC[C@H](C1)C 269982a_100016987628_100000212216 [0,1,0,1,0,0|2,0,0]=4 14047 B10R1.16 CSCCN1CC[C@H](C1)C 34a_100016987628_100000212216 [0,1,0,1,0,0|2,0,0]=4 14048 B10R1.16 CSCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011218213 [0,1,0,1,0,0|1,0,0]=3 14049 B10R1.16 CSCOC1CCC(C1)C 34a_100000698185_100011218213 [0,1,0,1,0,0|2,0,0]=4 14050 B10R1.16 C[C@@H]1CCN(C1)CCCF 2230a_100016987628_100011934791 [0,1,0,1,0,0|2,0,0]=4 14051 B10R1.16 C[C@@H]1CCN(C1)CCCF 269982a_100016987628_100011934791 [0,1,0,1,0,0|2,0,0]=4 14052 B10R1.16 C[C@@H]1CCN(C1)CCCF 34a_100016987628_100011934791 [0,1,0,1,0,0|2,0,0]=4 14053 B10R1.16 C[C@@H]1CCN(C1)CCCO 2230a_100016987628_100000230001 [0,1,0,1,0,0|2,0,0]=4 14054 B10R1.16 C[C@@H]1CCN(C1)CCCO 269982a_100016987628_100011215043 [0,1,0,1,0,0|2,0,0]=4 14055 B10R1.16 C[C@@H]1CCN(C1)CCCO 34a_100016987628_100000230001 [0,1,0,1,0,0|2,0,0]=4 14056 B10R1.16 FCCCN1CC[C@@H](C1)F 2230a_100015203821_100011934791 [0,1,0,1,0,0|2,0,0]=4 14057 B10R1.16 FCCCN1CC[C@@H](C1)F 269982a_100015203821_100011934791 [0,1,0,1,0,0|2,0,0]=4 14058 B10R1.16 FCCCN1CC[C@@H](C1)F 34a_100015203821_100011934791 [0,1,0,1,0,0|2,0,0]=4 14059 B10R1.16 N#CCCN1CCC(C1)O 2230a_100011215560_100011215226 [0,1,0,1,0,0|1,0,1]=4 14060 B10R1.16 N#CCCN1CCC(C1)O 269982a_100011215560_100011215226 [0,1,0,1,0,0|1,0,1]=4 14061 B10R1.16 N#CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215382 [0,1,0,1,0,0|1,0,1]=4 14062 B10R1.16 O=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_200015260668 [0,1,0,1,0,0|1,0,1]=4 14063 B10R1.16 OC1CCN(C1)CCCF 2230a_100011215560_100011934791 [0,1,0,1,0,0|1,0,0]=3 14064 B10R1.16 OC1CCN(C1)CCCF 269982a_100011215560_100011934791 [0,1,0,1,0,0|1,0,0]=3 14065 B10R1.16 OCCCN1CCC(C1)O 2230a_100011215560_100000230001 [0,1,0,1,0,0|1,0,0]=3 14066 B10R1.16 OCCCN1CCC(C1)O 269982a_100011215560_100011215043 [0,1,0,1,0,0|1,0,0]=3 14067 B10R1.16 OCCCN1CC[C@@H](C1)F 2230a_100015203821_100000230001 [0,1,0,1,0,0|2,0,0]=4 14068 B10R1.16 OCCCN1CC[C@@H](C1)F 269982a_100015203821_100011215043 [0,1,0,1,0,0|2,0,0]=4 14069 B10R1.16 OCCCN1CC[C@@H](C1)F 34a_100015203821_100000230001 [0,1,0,1,0,0|2,0,0]=4 14070 B10R1.16 OCCNC1CCC(C1)O 270004a_100000210304_100012614533 [0,1,0,1,0,0|1,0,0]=3 14071 B10R1.16 OCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000211926 [0,1,0,1,0,0|1,0,0]=3 14072 B10R1.16 O[C@@H]1CC[C@@H](C1)NCCF 2230a_100015195300_100011217306 [0,1,0,1,0,0|1,0,0]=3 14073 B10R1.37 CC1CCN1CCCCF 269982a_100000755817_100000729493 [0,1,0,1,0,0|2,0,0]=4 14074 B10R1.37 CC1CCN1CCCCF 34a_100000755817_100000729493 [0,1,0,1,0,0|2,0,0]=4 14075 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [0,1,0,1,0,0|2,0,0]=4 14076 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [0,1,0,1,0,0|2,0,0]=4 14077 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,1,0,1,0,0|1,0,0]=3 14078 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,1,0,1,0,0|1,0,0]=3 14079 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|0,0,2]=4 14080 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|0,0,2]=4 14081 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|0,0,2]=4 14082 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|0,0,2]=4 14083 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|0,0,2]=4 14084 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|0,0,2]=4 14085 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [0,1,0,1,0,0|2,0,0]=4 14086 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [0,1,0,1,0,0|2,0,0]=4 14087 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|0,0,2]=4 14088 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|0,0,2]=4 14089 B10R1.37 CCSCCN1CCC1C 269982a_100000755817_100000757381 [0,1,0,1,0,0|2,0,0]=4 14090 B10R1.37 CCSCCN1CCC1C 34a_100000755817_100000757381 [0,1,0,1,0,0|2,0,0]=4 14091 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [0,1,0,1,0,0|2,0,0]=4 14092 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [0,1,0,1,0,0|2,0,0]=4 14093 B10R1.40 CCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210202 [0,1,0,1,0,0|2,0,0]=4 14094 B10R1.40 CCN1CCC[C@@]1(C)CO 269982a_100016195882_100000204670 [0,1,0,1,0,0|2,0,0]=4 14095 B10R1.40 CCN1CCC[C@@]1(C)CO 34a_100016195882_100000210202 [0,1,0,1,0,0|2,0,0]=4 14096 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [0,1,0,1,0,0|2,0,0]=4 14097 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [0,1,0,1,0,0|2,0,0]=4 14098 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,1,0,1,0,0|2,0,0]=4 14099 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,1,0,1,0,0|2,0,0]=4 14100 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,1,0,1,0,0|2,0,0]=4 14101 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,1,0,1,0,0|2,0,0]=4 14102 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,1,0,1,0,0|2,0,0]=4 14103 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,1,0,1,0,0|1,0,0]=3 14104 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,1,0,1,0,0|1,0,0]=3 14105 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [0,1,0,1,0,0|2,0,0]=4 14106 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [0,1,0,1,0,0|2,0,0]=4 14107 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [0,1,0,1,0,0|2,0,0]=4 14108 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [0,1,0,1,0,0|2,0,0]=4 14109 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [0,1,0,1,0,0|2,0,0]=4 14110 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [0,1,0,1,0,0|2,0,0]=4 14111 B10R1.57 BrCCCOCC1CCO1 34a_100011217188_100000103362 [0,1,0,1,0,0|1,0,0]=3 14112 B10R1.57 C#CCCNCC1CCO1 34a_100000755551_100000103362 [0,1,0,1,0,0|0,0,2]=4 14113 B10R1.57 C#CCCNC[C@@H]1CCO1 2230a_100020831831_100000688953 [0,1,0,1,0,0|0,0,2]=4 14114 B10R1.57 C#CCCNC[C@@H]1CCO1 34a_100020831831_100000688953 [0,1,0,1,0,0|0,0,2]=4 14115 B10R1.57 C#CCCOCC1CCO1 34a_100000039022_100000688953 [0,1,0,1,0,0|0,0,2]=4 14116 B10R1.57 C#CCCOCC1CCO1 34a_100011215631_100000103362 [0,1,0,1,0,0|0,0,2]=4 14117 B10R1.57 C#CCCSCC1CCO1 62a_100000103362_100000688953 [0,1,0,1,0,0|0,0,2]=4 14118 B10R1.57 C#CCCSCC1CCO1 62a_100000688953_100000103362 [0,1,0,1,0,0|0,0,2]=4 14119 B10R1.57 C/C=C/CNC[C@@H]1CCO1 34a_100020831831_100102629194 [0,1,0,1,0,0|0,0,2]=4 14120 B10R1.57 C/C=C/COCC1CCO1 34a_100000039022_100102629194 [0,1,0,1,0,0|0,0,2]=4 14121 B10R1.57 C/C=C/COCC1CCO1 34a_100016270725_100000103362 [0,1,0,1,0,0|0,0,2]=4 14122 B10R1.57 C/C=C/CSCC1CCO1 62a_100000103362_100102629194 [0,1,0,1,0,0|0,0,2]=4 14123 B10R1.57 C/C=C/CSCC1CCO1 62a_100102629194_100000103362 [0,1,0,1,0,0|0,0,2]=4 14124 B10R1.57 C=CCCNCC1CCO1 2230a_100015191253_100000103362 [0,1,0,1,0,0|0,0,2]=4 14125 B10R1.57 C=CCCNC[C@@H]1CCO1 2230a_100020831831_100000754431 [0,1,0,1,0,0|0,0,2]=4 14126 B10R1.57 C=CCCNC[C@@H]1CCO1 34a_100020831831_100000754431 [0,1,0,1,0,0|0,0,2]=4 14127 B10R1.57 C=CCCOCC1CCO1 34a_100000039022_100000754431 [0,1,0,1,0,0|0,0,2]=4 14128 B10R1.57 C=CCCOCC1CCO1 34a_100011205117_100000103362 [0,1,0,1,0,0|0,0,2]=4 14129 B10R1.57 C=CCCSCC1CCO1 62a_100000103362_100000754431 [0,1,0,1,0,0|0,0,2]=4 14130 B10R1.57 C=CCCSCC1CCO1 62a_100000754431_100000103362 [0,1,0,1,0,0|0,0,2]=4 14131 B10R1.57 CC#CCNCC1CCO1 2230a_100000685387_100000103362 [0,1,0,1,0,0|0,0,2]=4 14132 B10R1.57 CC#CCNCC1CCO1 34a_100000685387_100000103362 [0,1,0,1,0,0|0,0,2]=4 14133 B10R1.57 CC#CCNC[C@@H]1CCO1 2230a_100020831831_100000748600 [0,1,0,1,0,0|0,0,2]=4 14134 B10R1.57 CC#CCNC[C@@H]1CCO1 34a_100020831831_100000748600 [0,1,0,1,0,0|0,0,2]=4 14135 B10R1.57 CC#CCOCC1CCO1 34a_100000039022_100000748600 [0,1,0,1,0,0|0,0,2]=4 14136 B10R1.57 CC#CCOCC1CCO1 34a_100000761923_100000103362 [0,1,0,1,0,0|0,0,2]=4 14137 B10R1.57 CC#CCSCC1CCO1 62a_100000103362_100000748600 [0,1,0,1,0,0|0,0,2]=4 14138 B10R1.57 CC#CCSCC1CCO1 62a_100000748600_100000103362 [0,1,0,1,0,0|0,0,2]=4 14139 B10R1.57 CC=CCNC[C@@H]1CCO1 2230a_100020831831_100000070051 [0,1,0,1,0,0|0,0,2]=4 14140 B10R1.57 CC=CCNC[C@@H]1CCO1 34a_100020831831_100000070051 [0,1,0,1,0,0|0,0,2]=4 14141 B10R1.57 CC=CCOCC1CCO1 34a_100000039022_100000070051 [0,1,0,1,0,0|0,0,2]=4 14142 B10R1.57 CC=CCSCC1CCO1 62a_100000070051_100000103362 [0,1,0,1,0,0|0,0,2]=4 14143 B10R1.57 CC=CCSCC1CCO1 62a_100000103362_100000070051 [0,1,0,1,0,0|0,0,2]=4 14144 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,1,0,1,0,0|2,0,0]=4 14145 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,1,0,1,0,0|1,0,0]=3 14146 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,1,0,1,0,0|1,0,0]=3 14147 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,1,0,1,0,0|1,0,0]=3 14148 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [0,1,0,1,0,0|2,0,0]=4 14149 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,1,0,1,0,0|1,0,0]=3 14150 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,1,0,1,0,0|1,0,0]=3 14151 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [0,1,0,1,0,0|2,0,0]=4 14152 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [0,1,0,1,0,0|2,0,0]=4 14153 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [0,1,0,1,0,0|2,0,0]=4 14154 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,1,0,1,0,0|1,0,0]=3 14155 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [0,1,0,1,0,0|2,0,0]=4 14156 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,1,0,1,0,0|1,0,0]=3 14157 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,1,0,1,0,0|1,0,0]=3 14158 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,1,0,1,0,0|1,0,0]=3 14159 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,1,0,1,0,0|1,0,0]=3 14160 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,1,0,1,0,0|1,0,0]=3 14161 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,1,0,1,0,0|0,0,0]=2 14162 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,1,0,1,0,0|0,0,0]=2 14163 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [0,1,0,1,0,0|2,0,0]=4 14164 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [0,1,0,1,0,0|2,0,0]=4 14165 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [0,1,0,1,0,0|2,0,0]=4 14166 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [0,1,0,1,0,0|2,0,0]=4 14167 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,1,0,1,0,0|0,0,0]=2 14168 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,1,0,1,0,0|0,0,0]=2 14169 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,1,0,1,0,0|1,0,0]=3 14170 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,1,0,1,0,0|1,0,0]=3 14171 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,1,0,1,0,0|1,0,0]=3 14172 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,1,0,1,0,0|0,0,0]=2 14173 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,1,0,1,0,0|0,0,0]=2 14174 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,1,0,1,0,0|0,0,0]=2 14175 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [0,1,0,1,0,0|2,0,0]=4 14176 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [0,1,0,1,0,0|2,0,0]=4 14177 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [0,1,0,1,0,0|2,0,0]=4 14178 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [0,1,0,1,0,0|2,0,0]=4 14179 B10R1.57 CCCCOCN1CCC1 269982a_100000754969_100011995733 [0,1,0,1,0,0|2,0,0]=4 14180 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,1,0,1,0,0|1,0,0]=3 14181 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,1,0,1,0,0|1,0,0]=3 14182 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,1,0,1,0,0|0,0,0]=2 14183 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,1,0,1,0,0|0,0,0]=2 14184 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [0,1,0,1,0,0|2,0,0]=4 14185 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [0,1,0,1,0,0|2,0,0]=4 14186 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [0,1,0,1,0,0|2,0,0]=4 14187 B10R1.57 CCCOCCN1CCC1 269982a_100000754969_100011215938 [0,1,0,1,0,0|2,0,0]=4 14188 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [0,1,0,1,0,0|2,0,0]=4 14189 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [0,1,0,1,0,0|2,0,0]=4 14190 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [0,1,0,1,0,0|2,0,0]=4 14191 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [0,1,0,1,0,0|2,0,0]=4 14192 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [0,1,0,1,0,0|2,0,0]=4 14193 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [0,1,0,1,0,0|2,0,0]=4 14194 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [0,1,0,1,0,0|2,0,0]=4 14195 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [0,1,0,1,0,0|2,0,0]=4 14196 B10R1.57 CCOCSCC1CCC1 62a_100000739092_100000763275 [0,1,0,1,0,0|2,0,0]=4 14197 B10R1.57 CCOCSCC1CCC1 62a_100000763275_100000739092 [0,1,0,1,0,0|2,0,0]=4 14198 B10R1.57 CCOCSCC1CCO1 62a_100000103362_100000739092 [0,1,0,1,0,0|1,0,0]=3 14199 B10R1.57 CCOCSCC1CCO1 62a_100000739092_100000103362 [0,1,0,1,0,0|1,0,0]=3 14200 B10R1.57 CCSCCNC1CCC1 2230a_100000749019_100000757381 [0,1,0,1,0,0|2,0,0]=4 14201 B10R1.57 CCSCCNC1CCC1 270004a_100000106463_100000241760 [0,1,0,1,0,0|2,0,0]=4 14202 B10R1.57 CCSCCNC1CCC1 34a_100000749019_100000757381 [0,1,0,1,0,0|2,0,0]=4 14203 B10R1.57 CCSCCOC1CCC1 34a_100000212035_100000749161 [0,1,0,1,0,0|2,0,0]=4 14204 B10R1.57 CCSCCOC1CCC1 34a_100000748187_100000757381 [0,1,0,1,0,0|2,0,0]=4 14205 B10R1.57 CCSCCSC1CCC1 62a_100000757381_100000749161 [0,1,0,1,0,0|2,0,0]=4 14206 B10R1.57 CNCCCOC1CCC1 34a_100000213112_100000749161 [0,1,0,1,0,0|2,0,0]=4 14207 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [0,1,0,1,0,0|2,0,0]=4 14208 B10R1.57 COCCCNC1CCC1 2230a_100000749019_100000740836 [0,1,0,1,0,0|2,0,0]=4 14209 B10R1.57 COCCCNC1CCC1 270004a_100150723488_100000241760 [0,1,0,1,0,0|2,0,0]=4 14210 B10R1.57 COCCCNC1CCC1 34a_100000749019_100000740836 [0,1,0,1,0,0|2,0,0]=4 14211 B10R1.57 COCCCNC1CCC1 34a_100150723488_100000749161 [0,1,0,1,0,0|2,0,0]=4 14212 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [0,1,0,1,0,0|2,0,0]=4 14213 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [0,1,0,1,0,0|2,0,0]=4 14214 B10R1.57 COCCCSC1CCC1 62a_100000709357_100000749161 [0,1,0,1,0,0|2,0,0]=4 14215 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [0,1,0,1,0,0|2,0,0]=4 14216 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [0,1,0,1,0,0|2,0,0]=4 14217 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [0,1,0,1,0,0|2,0,0]=4 14218 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [0,1,0,1,0,0|2,0,0]=4 14219 B10R1.57 COCCNCC1CCO1 2230a_100000209980_100000103362 [0,1,0,1,0,0|1,0,0]=3 14220 B10R1.57 COCCNC[C@@H]1CCO1 2230a_100020831831_100011201679 [0,1,0,1,0,0|1,0,0]=3 14221 B10R1.57 COCCNC[C@@H]1CCO1 34a_100020831831_100011201679 [0,1,0,1,0,0|1,0,0]=3 14222 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [0,1,0,1,0,0|2,0,0]=4 14223 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [0,1,0,1,0,0|2,0,0]=4 14224 B10R1.57 COCCOCC1CCO1 34a_100000039022_100011201679 [0,1,0,1,0,0|1,0,0]=3 14225 B10R1.57 COCCOCC1CCO1 34a_100000210237_100000103362 [0,1,0,1,0,0|1,0,0]=3 14226 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [0,1,0,1,0,0|2,0,0]=4 14227 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [0,1,0,1,0,0|2,0,0]=4 14228 B10R1.57 COCCSCC1CCO1 62a_100000103362_100000233755 [0,1,0,1,0,0|1,0,0]=3 14229 B10R1.57 COCCSCC1CCO1 62a_100000233755_100000103362 [0,1,0,1,0,0|1,0,0]=3 14230 B10R1.57 CSCCCNC1CCC1 270004a_100000749238_100000241760 [0,1,0,1,0,0|2,0,0]=4 14231 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [0,1,0,1,0,0|2,0,0]=4 14232 B10R1.57 CSCCNCC1CCC1 2230a_100000738700_100000751147 [0,1,0,1,0,0|2,0,0]=4 14233 B10R1.57 CSCCNCC1CCC1 2230a_100020590264_100000763275 [0,1,0,1,0,0|2,0,0]=4 14234 B10R1.57 CSCCNCC1CCC1 269862a_100020590264_100000753134 [0,1,0,1,0,0|2,0,0]=4 14235 B10R1.57 CSCCNCC1CCC1 34a_100000738700_100000212216 [0,1,0,1,0,0|2,0,0]=4 14236 B10R1.57 CSCCNCC1CCO1 2230a_100020590264_100000103362 [0,1,0,1,0,0|1,0,0]=3 14237 B10R1.57 CSCCNC[C@@H]1CCO1 2230a_100020831831_100000751147 [0,1,0,1,0,0|1,0,0]=3 14238 B10R1.57 CSCCNC[C@@H]1CCO1 34a_100020831831_100000212216 [0,1,0,1,0,0|1,0,0]=3 14239 B10R1.57 CSCCOCC1CCC1 34a_100000230434_100000763275 [0,1,0,1,0,0|2,0,0]=4 14240 B10R1.57 CSCCOCC1CCC1 34a_100000760304_100000212216 [0,1,0,1,0,0|2,0,0]=4 14241 B10R1.57 CSCCOCC1CCC1 7a_100000230434_100000763275 [0,1,0,1,0,0|2,0,0]=4 14242 B10R1.57 CSCCOCC1CCO1 34a_100000039022_100000212216 [0,1,0,1,0,0|1,0,0]=3 14243 B10R1.57 CSCCOCC1CCO1 34a_100000230434_100000103362 [0,1,0,1,0,0|1,0,0]=3 14244 B10R1.57 CSCCOCC1CCO1 7a_100000230434_100000103362 [0,1,0,1,0,0|1,0,0]=3 14245 B10R1.57 CSCCSCC1CCC1 62a_100000212216_100000763275 [0,1,0,1,0,0|2,0,0]=4 14246 B10R1.57 CSCCSCC1CCC1 62a_100000763275_100000751147 [0,1,0,1,0,0|2,0,0]=4 14247 B10R1.57 CSCCSCC1CCO1 62a_100000103362_100000751147 [0,1,0,1,0,0|1,0,0]=3 14248 B10R1.57 CSCCSCC1CCO1 62a_100000212216_100000103362 [0,1,0,1,0,0|1,0,0]=3 14249 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [0,1,0,1,0,0|2,0,0]=4 14250 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [0,1,0,1,0,0|2,0,0]=4 14251 B10R1.57 ClCCCOCC1CCO1 34a_100000230001_100000103362 [0,1,0,1,0,0|1,0,0]=3 14252 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [0,1,0,1,0,0|2,0,0]=4 14253 B10R1.57 FCCCCNC1CCC1 2230a_100000749019_100000729493 [0,1,0,1,0,0|2,0,0]=4 14254 B10R1.57 FCCCCNC1CCC1 34a_100000749019_100000729493 [0,1,0,1,0,0|2,0,0]=4 14255 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [0,1,0,1,0,0|2,0,0]=4 14256 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [0,1,0,1,0,0|2,0,0]=4 14257 B10R1.57 FCCCCSC1CCC1 62a_100000729493_100000749161 [0,1,0,1,0,0|2,0,0]=4 14258 B10R1.57 FCCCNCC1CCC1 2230a_100000738700_100011934791 [0,1,0,1,0,0|2,0,0]=4 14259 B10R1.57 FCCCNCC1CCC1 2230a_100015189416_100000763275 [0,1,0,1,0,0|2,0,0]=4 14260 B10R1.57 FCCCNCC1CCC1 269862a_100015189416_100000753134 [0,1,0,1,0,0|2,0,0]=4 14261 B10R1.57 FCCCNCC1CCC1 34a_100000738700_100011934791 [0,1,0,1,0,0|2,0,0]=4 14262 B10R1.57 FCCCNCC1CCC1 34a_100015189416_100000763275 [0,1,0,1,0,0|2,0,0]=4 14263 B10R1.57 FCCCNCC1CCO1 2230a_100015189416_100000103362 [0,1,0,1,0,0|1,0,0]=3 14264 B10R1.57 FCCCNCC1CCO1 34a_100015189416_100000103362 [0,1,0,1,0,0|1,0,0]=3 14265 B10R1.57 FCCCNC[C@@H]1CCO1 2230a_100020831831_100011934791 [0,1,0,1,0,0|1,0,0]=3 14266 B10R1.57 FCCCNC[C@@H]1CCO1 34a_100020831831_100011934791 [0,1,0,1,0,0|1,0,0]=3 14267 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [0,1,0,1,0,0|2,0,0]=4 14268 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [0,1,0,1,0,0|2,0,0]=4 14269 B10R1.57 FCCCOCC1CCO1 34a_100000039022_100011934791 [0,1,0,1,0,0|1,0,0]=3 14270 B10R1.57 FCCCOCC1CCO1 34a_100000759539_100000103362 [0,1,0,1,0,0|1,0,0]=3 14271 B10R1.57 FCCCSCC1CCC1 62a_100000763275_100011934791 [0,1,0,1,0,0|2,0,0]=4 14272 B10R1.57 FCCCSCC1CCC1 62a_100011934791_100000763275 [0,1,0,1,0,0|2,0,0]=4 14273 B10R1.57 FCCCSCC1CCO1 62a_100000103362_100011934791 [0,1,0,1,0,0|1,0,0]=3 14274 B10R1.57 FCCCSCC1CCO1 62a_100011934791_100000103362 [0,1,0,1,0,0|1,0,0]=3 14275 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [0,1,0,1,0,0|2,0,0]=4 14276 B10R1.57 N#CCCNC[C@@H]1CCO1 2230a_100020831831_100011215226 [0,1,0,1,0,0|1,0,1]=4 14277 B10R1.57 N#CCCSCC1CCO1 62a_100000103362_100011215226 [0,1,0,1,0,0|1,0,1]=4 14278 B10R1.57 N#CCCSCC1CCO1 62a_100011215226_100000103362 [0,1,0,1,0,0|1,0,1]=4 14279 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [0,1,0,1,0,0|2,0,0]=4 14280 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [0,1,0,1,0,0|2,0,0]=4 14281 B10R1.57 NCCCOCC1CCO1 34a_100000182051_100000103362 [0,1,0,1,0,0|1,0,0]=3 14282 B10R1.57 NOCCOCC1CCO1 34a_100000700252_100000103362 [0,1,0,1,0,0|2,0,0]=4 14283 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,1,0,1,0,0|2,0,0]=4 14284 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [0,1,0,1,0,0|2,0,0]=4 14285 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [0,1,0,1,0,0|2,0,0]=4 14286 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [0,1,0,1,0,0|2,0,0]=4 14287 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [0,1,0,1,0,0|2,0,0]=4 14288 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [0,1,0,1,0,0|2,0,0]=4 14289 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [0,1,0,1,0,0|2,0,0]=4 14290 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [0,1,0,1,0,0|2,0,0]=4 14291 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [0,1,0,1,0,0|2,0,0]=4 14292 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [0,1,0,1,0,0|2,0,0]=4 14293 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [0,1,0,1,0,0|1,0,0]=3 14294 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [0,1,0,1,0,0|1,0,0]=3 14295 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [0,1,0,1,0,0|2,0,0]=4 14296 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,1,0,1,0,0|1,0,0]=3 14297 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [0,1,0,1,0,0|2,0,0]=4 14298 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [0,1,0,1,0,0|2,0,0]=4 14299 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [0,1,0,1,0,0|1,0,0]=3 14300 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [0,1,0,1,0,0|1,0,0]=3 14301 B10R1.70 C#CCCNCC1(CC1)O 2230a_100011936951_100000688953 [0,1,0,1,0,0|0,0,2]=4 14302 B10R1.70 C=CCCNCC1(CC1)O 2230a_100011936951_100000754431 [0,1,0,1,0,0|0,0,2]=4 14303 B10R1.70 CC#CCNCC1(CC1)O 2230a_100011936951_100000748600 [0,1,0,1,0,0|0,0,2]=4 14304 B10R1.70 CC1(CC1)CNCCCF 2230a_100000766693_100011934791 [0,1,0,1,0,0|2,0,0]=4 14305 B10R1.70 CC1(CC1)CNCCCO 2230a_100000766693_100000230001 [0,1,0,1,0,0|2,0,0]=4 14306 B10R1.70 CC1(CC1)COCCCF 7a_100000698024_100011934791 [0,1,0,1,0,0|2,0,0]=4 14307 B10R1.70 CC1(CC1)COCCCO 7a_100000698024_100011215043 [0,1,0,1,0,0|2,0,0]=4 14308 B10R1.70 CC1(CC1)NCCCCF 2230a_100000757604_100000729493 [0,1,0,1,0,0|2,0,0]=4 14309 B10R1.70 CC1(CC1)NCCCCO 2230a_100000757604_100000210776 [0,1,0,1,0,0|2,0,0]=4 14310 B10R1.70 CC1(CC1)OCCCCF 7a_100011725673_100000729493 [0,1,0,1,0,0|2,0,0]=4 14311 B10R1.70 CC1(CC1)OCCCCO 7a_100011725673_100000210776 [0,1,0,1,0,0|2,0,0]=4 14312 B10R1.70 CC=CCNCC1(CC1)O 2230a_100011936951_100000070051 [0,1,0,1,0,0|0,0,2]=4 14313 B10R1.70 CCCCCNC1(CC1)C 2230a_100000757604_100000210326 [0,1,0,1,0,0|1,0,0]=3 14314 B10R1.70 CCCCCOC1(CC1)C 7a_100011725673_100000210326 [0,1,0,1,0,0|1,0,0]=3 14315 B10R1.70 CCCCNCC1(CC1)C 2230a_100000766693_100000210211 [0,1,0,1,0,0|1,0,0]=3 14316 B10R1.70 CCCCNCC1(CC1)O 2230a_100011936951_100000210211 [0,1,0,1,0,0|0,0,0]=2 14317 B10R1.70 CCCCOCC1(CC1)C 7a_100000698024_100000210211 [0,1,0,1,0,0|1,0,0]=3 14318 B10R1.70 CCCCOCC1(CC1)F 34a_200000703853_100000210210 [0,1,0,1,0,0|1,0,0]=3 14319 B10R1.70 CCCCOCC1(CC1)F 7a_200000703853_100000210211 [0,1,0,1,0,0|1,0,0]=3 14320 B10R1.70 CCCCOCC1(CO1)C 34a_100000210227_100000760498 [0,1,0,1,0,0|2,0,0]=4 14321 B10R1.70 CCCCSCC1(CO1)C 62a_100000210211_100000760498 [0,1,0,1,0,0|2,0,0]=4 14322 B10R1.70 CCCCSCC1(CO1)C 62a_100000760498_100000210210 [0,1,0,1,0,0|2,0,0]=4 14323 B10R1.70 CCOCCNC1(CC1)C 2230a_100000757604_100011215890 [0,1,0,1,0,0|2,0,0]=4 14324 B10R1.70 CCOCCOC1(CC1)C 7a_100011725673_100011215890 [0,1,0,1,0,0|2,0,0]=4 14325 B10R1.70 CCSCCNC1(CC1)C 2230a_100000757604_100000757381 [0,1,0,1,0,0|2,0,0]=4 14326 B10R1.70 CCSCCOC1(CC1)C 7a_100011725673_100000757381 [0,1,0,1,0,0|2,0,0]=4 14327 B10R1.70 COCCCNC1(CC1)C 2230a_100000757604_100000740836 [0,1,0,1,0,0|2,0,0]=4 14328 B10R1.70 COCCCOC1(CC1)C 7a_100011725673_100000740836 [0,1,0,1,0,0|2,0,0]=4 14329 B10R1.70 COCCNCC1(CC1)C 2230a_100000766693_100011201679 [0,1,0,1,0,0|2,0,0]=4 14330 B10R1.70 COCCNCC1(CC1)O 2230a_100011936951_100011201679 [0,1,0,1,0,0|1,0,0]=3 14331 B10R1.70 COCCOCC1(CC1)C 7a_100000698024_100000233755 [0,1,0,1,0,0|2,0,0]=4 14332 B10R1.70 COCCOCC1(CC1)F 34a_200000703853_100011201679 [0,1,0,1,0,0|2,0,0]=4 14333 B10R1.70 COCCOCC1(CC1)F 7a_200000703853_100000233755 [0,1,0,1,0,0|2,0,0]=4 14334 B10R1.70 CSCCNCC1(CC1)C 2230a_100000766693_100000751147 [0,1,0,1,0,0|2,0,0]=4 14335 B10R1.70 CSCCNCC1(CC1)O 2230a_100011936951_100000751147 [0,1,0,1,0,0|1,0,0]=3 14336 B10R1.70 CSCCOCC1(CC1)C 7a_100000698024_100000212216 [0,1,0,1,0,0|2,0,0]=4 14337 B10R1.70 CSCCOCC1(CC1)F 34a_200000703853_100000212216 [0,1,0,1,0,0|2,0,0]=4 14338 B10R1.70 CSCCOCC1(CC1)F 7a_200000703853_100000212216 [0,1,0,1,0,0|2,0,0]=4 14339 B10R1.70 FCCCOCC1(CC1)F 34a_200000703853_100011934791 [0,1,0,1,0,0|2,0,0]=4 14340 B10R1.70 FCCCOCC1(CC1)F 7a_200000703853_100011934791 [0,1,0,1,0,0|2,0,0]=4 14341 B10R1.70 N#CCCNCC1(CC1)O 2230a_100011936951_100011215226 [0,1,0,1,0,0|1,0,1]=4 14342 B10R1.70 OC1(CC1)CNCCCF 2230a_100011936951_100011934791 [0,1,0,1,0,0|1,0,0]=3 14343 B10R1.70 OCCCNCC1(CC1)O 2230a_100011936951_100000230001 [0,1,0,1,0,0|1,0,0]=3 14344 B10R1.70 OCCCOCC1(CC1)F 34a_200000703853_100000230001 [0,1,0,1,0,0|2,0,0]=4 14345 B10R1.70 OCCCOCC1(CC1)F 7a_200000703853_100011215043 [0,1,0,1,0,0|2,0,0]=4 14346 B10R1.143 CCC1CN(C1)CCCF 2230a_100015205115_100011934791 [0,1,0,1,0,0|2,0,0]=4 14347 B10R1.143 CCC1CN(C1)CCCF 269982a_100015205115_100011934791 [0,1,0,1,0,0|2,0,0]=4 14348 B10R1.143 CCC1CN(C1)CCCO 2230a_100015205115_100000230001 [0,1,0,1,0,0|2,0,0]=4 14349 B10R1.143 CCC1CN(C1)CCCO 269982a_100015205115_100011215043 [0,1,0,1,0,0|2,0,0]=4 14350 B10R1.143 CCC1CN(C1)CCOC 2230a_100015205115_100011201679 [0,1,0,1,0,0|2,0,0]=4 14351 B10R1.143 CCC1CN(C1)CCOC 269982a_100015205115_100000233755 [0,1,0,1,0,0|2,0,0]=4 14352 B10R1.143 CCC1CN(C1)CCSC 2230a_100015205115_100000751147 [0,1,0,1,0,0|2,0,0]=4 14353 B10R1.143 CCC1CN(C1)CCSC 269982a_100015205115_100000212216 [0,1,0,1,0,0|2,0,0]=4 14354 B10R1.143 CCCCN1CC(C1)CC 2230a_100015205115_100000210211 [0,1,0,1,0,0|1,0,0]=3 14355 B10R1.143 CCCCN1CC(C1)CC 269982a_100015205115_100000210211 [0,1,0,1,0,0|1,0,0]=3 14356 B10R1.143 CCCCN1CC(C1)CF 269982a_100010363649_100000210211 [0,1,0,1,0,0|2,0,0]=4 14357 B10R1.143 CCCCN1CC(C1)CF 34a_100010363649_100000210210 [0,1,0,1,0,0|2,0,0]=4 14358 B10R1.143 CCCCN1CC(C1)CO 269982a_100016987283_100000210211 [0,1,0,1,0,0|2,0,0]=4 14359 B10R1.143 CCCCN1CC(C1)CO 34a_100016987283_100000210210 [0,1,0,1,0,0|2,0,0]=4 14360 B10R1.143 CCCCN1CC(C1)OC 269982a_100000755009_100000210211 [0,1,0,1,0,0|2,0,0]=4 14361 B10R1.143 CCCCN1CC(C1)SC 269982a_100016990038_100000210211 [0,1,0,1,0,0|2,0,0]=4 14362 B10R1.143 CCCNC1CC(C1)CO 270004a_100020643023_100000101936 [0,1,0,1,0,0|2,0,0]=4 14363 B10R1.143 CCCNC1CN(C1)CC 2230a_200015199589_100000210303 [0,1,0,1,0,0|2,0,0]=4 14364 B10R1.143 CCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210303 [0,1,0,1,0,0|2,0,0]=4 14365 B10R1.143 CCCOC1CN(C1)CC 269982a_200020626125_100000204670 [0,1,0,1,0,0|2,0,0]=4 14366 B10R1.143 CCCOC1CN(C1)CC 34a_200020626125_100000210202 [0,1,0,1,0,0|2,0,0]=4 14367 B10R1.143 CCCSC1CC(C1)CO 62a_100000210303_100009874164 [0,1,0,1,0,0|2,0,0]=4 14368 B10R1.143 CCCSC1CC(C1)CO 62a_100009874164_100000210303 [0,1,0,1,0,0|2,0,0]=4 14369 B10R1.143 CCOCN1CC(C1)CC 269982a_100015205115_100000739092 [0,1,0,1,0,0|2,0,0]=4 14370 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,1,0,1,0,0|2,0,0]=4 14371 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,1,0,1,0,0|2,0,0]=4 14372 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,1,0,1,0,0|2,0,0]=4 14373 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,1,0,1,0,0|1,0,0]=3 14374 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,1,0,1,0,0|1,0,0]=3 14375 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,1,0,1,0,0|1,0,0]=3 14376 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|0,0,2]=4 14377 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [0,1,0,1,0,0|0,0,2]=4 14378 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [0,1,0,1,0,0|0,0,2]=4 14379 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|0,0,0]=2 14380 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|0,0,0]=2 14381 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,1,0,1,0,0|2,0,0]=4 14382 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,1,0,1,0,0|2,0,0]=4 14383 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,1,0,1,0,0|1,0,0]=3 14384 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,1,0,1,0,0|1,0,0]=3 14385 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|0,0,2]=4 14386 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [0,1,0,1,0,0|0,0,2]=4 14387 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|0,0,0]=2 14388 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|0,0,0]=2 14389 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [0,1,0,1,0,0|1,0,0]=3 14390 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,1,0,1,0,0|1,0,0]=3 14391 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,1,0,1,0,0|1,0,0]=3 14392 B10R1.172 CCC1CN(CCO1)CC 2230a_100000736320_100000210202 [0,1,0,1,0,0|2,0,0]=4 14393 B10R1.172 CCC1CN(CCO1)CC 269982a_100000736320_100000204670 [0,1,0,1,0,0|2,0,0]=4 14394 B10R1.172 CCC1CN(CCO1)CC 34a_100000736320_100000210202 [0,1,0,1,0,0|2,0,0]=4 14395 B10R1.172 CCN1CCCC(C1)CF 2230a_100016992999_100000210202 [0,1,0,1,0,0|2,0,0]=4 14396 B10R1.172 CCN1CCCC(C1)CF 269982a_100016992999_100000204670 [0,1,0,1,0,0|2,0,0]=4 14397 B10R1.172 CCN1CCCC(C1)CF 34a_100016992999_100000210202 [0,1,0,1,0,0|2,0,0]=4 14398 B10R1.172 CCN1CCCC(C1)CO 2230a_100000211344_100000210202 [0,1,0,1,0,0|2,0,0]=4 14399 B10R1.172 CCN1CCCC(C1)CO 269982a_100000211344_100000204670 [0,1,0,1,0,0|2,0,0]=4 14400 B10R1.172 CCN1CCCC(C1)CO 34a_100000211344_100000210202 [0,1,0,1,0,0|2,0,0]=4 14401 B10R1.172 CCN1CCCC(C1)OC 2230a_100000695604_100000210202 [0,1,0,1,0,0|2,0,0]=4 14402 B10R1.172 CCN1CCCC(C1)OC 269982a_100000695604_100000204670 [0,1,0,1,0,0|2,0,0]=4 14403 B10R1.172 CCN1CCCC(C1)OC 34a_100000695604_100000210202 [0,1,0,1,0,0|2,0,0]=4 14404 B10R1.172 CCN1CCC[C@H](C1)NC 2230a_100025775482_200000210301 [0,1,0,1,0,0|2,0,0]=4 14405 B10R1.172 CCN1CCC[C@H](C1)N[13CH3] 2230a_100025775482_200025704644 [0,1,0,1,0,0|2,0,0]=4 14406 B10R1.172 CNC1CCCC(C1)SC 270004a_106832991635_100012138059 [0,1,0,1,0,0|2,0,0]=4 14407 B10R1.172 COC1CCCC(C1)CN 34a_100011254705_200000210301 [0,1,0,1,0,0|2,0,0]=4 14408 B10R1.172 [13CH3]OC1CCCC(C1)CN 34a_100011254705_200025704644 [0,1,0,1,0,0|2,0,0]=4 14409 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,1,0,1,0,0|0,0,2]=4 14410 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,1,0,1,0,0|0,0,2]=4 14411 B10R1.23 CC(C)N(C)C1CCCC1 2230a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 14412 B10R1.23 CC(C)N(C)C1CCCC1 2230a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 14413 B10R1.23 CC(C)N(C)C1CCCC1 269982a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 14414 B10R1.23 CC(C)N(C)C1CCCC1 269982a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 14415 B10R1.23 CC(C)N(C)C1CCCC1 269982a_200000211004_100000179811 [0,1,0,1,0,0|2,0,0]=4 14416 B10R1.23 CC(C)N(C)C1CCCC1 270004a_200000211004_100000210133 [0,1,0,1,0,0|2,0,0]=4 14417 B10R1.23 CC(C)N(C)C1CCCC1 34a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 14418 B10R1.23 CC(C)N(C)C1CCCC1 34a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 14419 B10R1.23 CC(C)N([13CH3])C1CCCC1 2230a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 14420 B10R1.23 CC(C)N([13CH3])C1CCCC1 269982a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 14421 B10R1.23 CC(C)N([13CH3])C1CCCC1 34a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 14422 B10R1.23 CC(C1CCCC1)N(C)C 2230a_106630658171_200000210301 [0,1,0,1,0,0|2,0,0]=4 14423 B10R1.23 CC(C1CCCC1)N(C)C 269982a_106630658171_200000210301 [0,1,0,1,0,0|2,0,0]=4 14424 B10R1.23 CC(C1CCCC1)N(C)C 270004a_100102631434_100000749594 [0,1,0,1,0,0|2,0,0]=4 14425 B10R1.23 CC(C1CCCC1)N(C)C 34a_106630658171_200000210301 [0,1,0,1,0,0|2,0,0]=4 14426 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 2230a_106630658171_200025704644 [0,1,0,1,0,0|2,0,0]=4 14427 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 269982a_106630658171_200025704644 [0,1,0,1,0,0|2,0,0]=4 14428 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 34a_106630658171_200025704644 [0,1,0,1,0,0|2,0,0]=4 14429 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,1,0,1,0,0|0,0,2]=4 14430 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,1,0,0|0,0,2]=4 14431 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,1,0,0|0,0,2]=4 14432 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|1,0,1]=4 14433 B10R1.113 CC(C)N1CCC[C@@H](C1)C 2230a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 14434 B10R1.113 CC(C)N1CCC[C@@H](C1)C 269982a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 14435 B10R1.113 CC(C)N1CCC[C@@H](C1)C 34a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 14436 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,1,0,1,0,0|2,0,0]=4 14437 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,1,0,1,0,0|2,0,0]=4 14438 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,1,0,1,0,0|2,0,0]=4 14439 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,1,0,1,0,0|2,0,0]=4 14440 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,1,0,1,0,0|2,0,0]=4 14441 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,1,0,1,0,0|2,0,0]=4 14442 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|1,0,1]=4 14443 B10R1.113 CC1CCCC(C1)N(C)C 270004a_100102631434_100000183594 [0,1,0,1,0,0|2,0,0]=4 14444 B10R1.155 CCC1CC1C(=O)C(C)C 1458a_200011661523_100000210206 [0,1,0,1,0,0|0,0,2]=4 14445 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000210198_100000763275 [0,1,0,1,0,0|0,0,2]=4 14446 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000763092_100000210206 [0,1,0,1,0,0|0,0,2]=4 14447 B10R1.204 CC(C)C(C)NC1CCC1 270004a_100000211541_100000241760 [0,1,0,1,0,0|2,0,0]=4 14448 B10R1.204 CC(C)N(C)CC1CCC1 2230a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 14449 B10R1.204 CC(C)N(C)CC1CCC1 269982a_200000211004_100000763275 [0,1,0,1,0,0|2,0,0]=4 14450 B10R1.204 CC(C)N(C)CC1CCC1 269982a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 14451 B10R1.204 CC(C)N(C)CC1CCC1 34a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 14452 B10R1.204 CC(F)C(=O)CC1CCC1 1458a_100000062450_100000763275 [0,1,0,1,0,0|0,0,2]=4 14453 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,1,0,1,0,0|0,0,2]=4 14454 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,1,0,1,0,0|0,0,2]=4 14455 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,1,0,1,0,0|0,0,2]=4 14456 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,1,0,1,0,0|0,0,2]=4 14457 B10R1.205 CC(C)C(C)NCC1CC1 2230a_100000211541_100000742324 [0,1,0,1,0,0|2,0,0]=4 14458 B10R1.205 CC(C)C(C)NCC1CC1 269862a_100000211541_100000741477 [0,1,0,1,0,0|2,0,0]=4 14459 B10R1.205 CC(C)C(C)OCC1CC1 7a_100000748068_100000742324 [0,1,0,1,0,0|2,0,0]=4 14460 B10R1.205 CC(C)C(O)CNC1CC1 34a_100000759067_100000211595 [0,1,0,1,0,0|1,0,0]=3 14461 B10R1.205 CC(C)N(C)CCC1CC1 269982a_200000211004_100000694398 [0,1,0,1,0,0|2,0,0]=4 14462 B10R1.205 CC(C)[C@@H](N)COC1CC1 34a_100011830312_100000211595 [0,1,0,1,0,0|2,0,0]=4 14463 B10R1.205 CC(F)C(=O)CCC1CC1 1458a_100000062450_100000694398 [0,1,0,1,0,0|0,0,2]=4 14464 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,1,0,1,0,0|0,0,2]=4 14465 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,1,0,1,0,0|0,0,2]=4 14466 B10R1.259 CCN1CCC(C1(C)C)C 2230a_102516457003_100000210202 [0,1,0,1,0,0|2,0,0]=4 14467 B10R1.259 CCN1CCC(C1(C)C)C 269982a_102516457003_100000204670 [0,1,0,1,0,0|2,0,0]=4 14468 B10R1.259 CCN1CCC(C1(C)C)C 34a_102516457003_100000210202 [0,1,0,1,0,0|2,0,0]=4 14469 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|1,0,1]=4 14470 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|1,0,1]=4 14471 B10R1.348 CC(C)N1CCCCCC1 2230a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 14472 B10R1.348 CC(C)N1CCCCCC1 269982a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 14473 B10R1.348 CC(C)N1CCCCCC1 34a_100000185865_100000210206 [0,1,0,1,0,0|2,0,0]=4 14474 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 14475 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 14476 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,1,0,1,0,0|2,0,0]=4 14477 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,1,0,1,0,0|2,0,0]=4 14478 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 14479 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 14480 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 14481 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 14482 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|1,0,1]=4 14483 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|1,0,1]=4 14484 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|1,0,1]=4 14485 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|0,0,1]=3 14486 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,1,0,0|1,0,1]=4 14487 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|1,0,1]=4 14488 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|1,0,1]=4 14489 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|0,0,1]=3 14490 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,1,0,0|1,0,1]=4 14491 B10R1.375 CC1(OC1COCCF)C 34a_200010283642_100011217306 [0,1,0,1,0,0|2,0,0]=4 14492 B10R1.375 CC1(OC1COCCF)C 7a_200010283642_100011217306 [0,1,0,1,0,0|2,0,0]=4 14493 B10R1.375 CC1(OC1COCCO)C 34a_200010283642_100000211926 [0,1,0,1,0,0|2,0,0]=4 14494 B10R1.375 CC1(OC1COCCO)C 7a_200010283642_100000211926 [0,1,0,1,0,0|2,0,0]=4 14495 B10R1.375 CCCOCC1CC1(C)C 34a_100000728257_100000210303 [0,1,0,1,0,0|2,0,0]=4 14496 B10R1.375 CCCOCC1CC1(C)C 7a_100000728257_100000210303 [0,1,0,1,0,0|2,0,0]=4 14497 B10R1.375 CCCOCC1OC1(C)C 34a_200010283642_100000210303 [0,1,0,1,0,0|1,0,0]=3 14498 B10R1.375 CCCOCC1OC1(C)C 7a_200010283642_100000210303 [0,1,0,1,0,0|1,0,0]=3 14499 B10R1.375 CSCOCC1OC1(C)C 34a_200010283642_100011218213 [0,1,0,1,0,0|2,0,0]=4 14500 B10R1.9 CCC(CC)N1CCCC1 269982a_100000188435_100000210505 [0,1,0,1,0,0|2,0,0]=4 14501 B10R1.9 CCC(CC)N1CCCC1 270004a_100000188435_100000210860 [0,1,0,1,0,0|2,0,0]=4 14502 B10R1.9 CCC(NC)C1CCCC1 269862a_106832991636_100011350732 [0,1,0,1,0,0|1,0,0]=3 14503 B10R1.9 CCC(NC)C1CCCC1 270004a_106832991635_100011350732 [0,1,0,1,0,0|1,0,0]=3 14504 B10R1.9 CCN(CC)C1CCCC1 2230a_100000724800_100000179811 [0,1,0,1,0,0|2,0,0]=4 14505 B10R1.9 CCN(CC)C1CCCC1 269956a_100000042499_100000179811 [0,1,0,1,0,0|2,0,0]=4 14506 B10R1.9 CCN(CC)C1CCCC1 269982a_100000724800_100000179811 [0,1,0,1,0,0|2,0,0]=4 14507 B10R1.9 CCN(CC)C1CCCC1 270004a_100000724800_100000210133 [0,1,0,1,0,0|2,0,0]=4 14508 B10R1.9 CNC(C#N)C1CCCC1 2230a_100000767069_200000210301 [0,1,0,1,0,0|2,0,0]=4 14509 B10R1.9 CNC(C#N)C1CCCC1 34a_100000767069_200000210301 [0,1,0,1,0,0|2,0,0]=4 14510 B10R1.9 [13CH3]NC(C#N)C1CCCC1 2230a_100000767069_200025704644 [0,1,0,1,0,0|2,0,0]=4 14511 B10R1.9 [13CH3]NC(C#N)C1CCCC1 34a_100000767069_200025704644 [0,1,0,1,0,0|2,0,0]=4 14512 B10R1.122 C#CC(CC)OC1CCC1 34a_100000758843_100000749161 [0,1,0,1,0,0|2,0,0]=4 14513 B10R1.122 C=CC(CC)OC1CCC1 34a_100000766422_100000749161 [0,1,0,1,0,0|2,0,0]=4 14514 B10R1.122 CCC(CC)CN1CCC1 269982a_100000754969_100011215472 [0,1,0,1,0,0|2,0,0]=4 14515 B10R1.122 CCC(CC)NC1CCC1 270004a_100000199018_100000241760 [0,1,0,1,0,0|2,0,0]=4 14516 B10R1.122 CCC(CC)SC1CCC1 62a_100000210505_100000749161 [0,1,0,1,0,0|2,0,0]=4 14517 B10R1.122 CCN(CC)CC1CCC1 2230a_100000724800_100000763275 [0,1,0,1,0,0|2,0,0]=4 14518 B10R1.122 CCN(CC)CC1CCC1 269956a_100000042499_100000763275 [0,1,0,1,0,0|2,0,0]=4 14519 B10R1.122 CCN(CC)CC1CCC1 269982a_100000724800_100000763275 [0,1,0,1,0,0|2,0,0]=4 14520 B10R1.122 CC[C@@H](CO)NC1CCC1 270004a_100000709445_100000241760 [0,1,0,1,0,0|1,0,0]=3 14521 B10R1.123 C#CC(CC)OCC1CC1 34a_100000758843_100000742324 [0,1,0,1,0,0|2,0,0]=4 14522 B10R1.123 C#CC(CC)OCC1CC1 7a_100000758843_100000742324 [0,1,0,1,0,0|2,0,0]=4 14523 B10R1.123 C=CC(CC)OCC1CC1 34a_100000766422_100000742324 [0,1,0,1,0,0|2,0,0]=4 14524 B10R1.123 C=CC(CC)OCC1CC1 7a_100000766422_100000742324 [0,1,0,1,0,0|2,0,0]=4 14525 B10R1.123 CCC(CC)CNC1CC1 34a_100000212008_100011215472 [0,1,0,1,0,0|2,0,0]=4 14526 B10R1.123 CCC(CC)CSC1CC1 62a_100011215472_100000211595 [0,1,0,1,0,0|2,0,0]=4 14527 B10R1.123 CCC(CC)NCC1CC1 2230a_100000199018_100000742324 [0,1,0,1,0,0|2,0,0]=4 14528 B10R1.123 CCC(CC)NCC1CC1 269862a_100000199018_100000741477 [0,1,0,1,0,0|2,0,0]=4 14529 B10R1.123 CCC(CC)NCC1CC1 270004a_100000735609_100000210860 [0,1,0,1,0,0|2,0,0]=4 14530 B10R1.123 CCC(CC)OCC1CC1 7a_100000688536_100000742324 [0,1,0,1,0,0|2,0,0]=4 14531 B10R1.123 CCC(CC)SCC1CC1 62a_100000210505_100000742324 [0,1,0,1,0,0|2,0,0]=4 14532 B10R1.123 CCC(CC)SCC1CC1 62a_100000756562_100000210505 [0,1,0,1,0,0|2,0,0]=4 14533 B10R1.123 CCC(COC1CC1)OC 34a_100011934954_100000211595 [0,1,0,1,0,0|1,0,0]=3 14534 B10R1.123 CCN(CC)CCC1CC1 2230a_100000724800_100000694398 [0,1,0,1,0,0|2,0,0]=4 14535 B10R1.123 CCN(CC)CCC1CC1 269956a_100000042499_100000694398 [0,1,0,1,0,0|2,0,0]=4 14536 B10R1.123 CCN(CC)CCC1CC1 269982a_100000724800_100000694398 [0,1,0,1,0,0|2,0,0]=4 14537 B10R1.123 CC[C@@H](CO)NCC1CC1 2230a_100000709445_100000742324 [0,1,0,1,0,0|1,0,0]=3 14538 B10R1.123 CC[C@@H](CO)NCC1CC1 269862a_100000709445_100000741477 [0,1,0,1,0,0|1,0,0]=3 14539 B10R1.123 CC[C@@H](CO)NCC1CO1 2230a_100000709445_100011216344 [0,1,0,1,0,0|2,0,0]=4 14540 B10R1.123 COC(CNC1CC1)OC 34a_100000212008_100000211822 [0,1,0,1,0,0|2,0,0]=4 14541 B10R1.123 COC(COC1CC1)OC 34a_100011216393_100000211595 [0,1,0,1,0,0|2,0,0]=4 14542 B10R1.123 COC(CSC1CC1)OC 62a_100000751394_100000211595 [0,1,0,1,0,0|2,0,0]=4 14543 B10R1.123 OCC(CO)NCC1CC1 2230a_100000759517_100000742324 [0,1,0,1,0,0|2,0,0]=4 14544 B10R1.124 CCC(CC)N1CCC1C 269982a_100000755817_100000210505 [0,1,0,1,0,0|2,0,0]=4 14545 B10R1.478 CCC1(CCCN1C)CO 2230a_100000708151_200000210301 [0,1,0,1,0,0|1,0,0]=3 14546 B10R1.478 CCC1(CCCN1C)CO 269982a_100000708151_200000210301 [0,1,0,1,0,0|1,0,0]=3 14547 B10R1.478 CCC1(CCCN1[13CH3])CO 2230a_100000708151_200025704644 [0,1,0,1,0,0|1,0,0]=3 14548 B10R1.478 CCC1(CCCN1[13CH3])CO 269982a_100000708151_200025704644 [0,1,0,1,0,0|1,0,0]=3 14549 B10R1.487 C#CC1(CCCCC1)NC 2230a_100132314160_200000210301 [0,1,0,1,0,0|2,0,0]=4 14550 B10R1.487 C#CC1(CCCCC1)NC 34a_100132314160_200000210301 [0,1,0,1,0,0|2,0,0]=4 14551 B10R1.487 C#CC1(CCCCC1)N[13CH3] 2230a_100132314160_200025704644 [0,1,0,1,0,0|2,0,0]=4 14552 B10R1.487 C#CC1(CCCCC1)N[13CH3] 34a_100132314160_200025704644 [0,1,0,1,0,0|2,0,0]=4 14553 B10R1.487 C#CC1(CCCCC1)OC 34a_100011215672_200000210301 [0,1,0,1,0,0|0,0,2]=4 14554 B10R1.487 C#CC1(CCCCC1)OC 7a_100011215672_200000210301 [0,1,0,1,0,0|0,0,2]=4 14555 B10R1.487 C#CC1(CCCCC1)O[13CH3] 34a_100011215672_200025704644 [0,1,0,1,0,0|0,0,2]=4 14556 B10R1.487 C#CC1(CCCCC1)O[13CH3] 7a_100011215672_200025704644 [0,1,0,1,0,0|0,0,2]=4 14557 B10R1.487 C=CC1(CCCCC1)OC 34a_200011934219_200000210301 [0,1,0,1,0,0|0,0,2]=4 14558 B10R1.487 C=CC1(CCCCC1)OC 7a_200011934219_200000210301 [0,1,0,1,0,0|0,0,2]=4 14559 B10R1.487 C=CC1(CCCCC1)O[13CH3] 34a_200011934219_200025704644 [0,1,0,1,0,0|0,0,2]=4 14560 B10R1.487 C=CC1(CCCCC1)O[13CH3] 7a_200011934219_200025704644 [0,1,0,1,0,0|0,0,2]=4 14561 B10R1.487 CCC1(CCCCC1)OC 34a_100011216009_200000210301 [0,1,0,1,0,0|0,0,0]=2 14562 B10R1.487 CCC1(CCCCC1)OC 7a_100011216009_200000210301 [0,1,0,1,0,0|0,0,0]=2 14563 B10R1.487 CCC1(CCCCC1)O[13CH3] 34a_100011216009_200025704644 [0,1,0,1,0,0|0,0,0]=2 14564 B10R1.487 CCC1(CCCCC1)O[13CH3] 7a_100011216009_200025704644 [0,1,0,1,0,0|0,0,0]=2 14565 B10R1.487 CNC1(CCCCC1)C#N 34a_100000184641_200000210301 [0,1,0,1,0,0|2,0,0]=4 14566 B10R1.487 CNC1(CCCCC1)CO 2230a_100000740034_200000210301 [0,1,0,1,0,0|1,0,0]=3 14567 B10R1.487 CNC1(CCCCC1)CO 34a_100000740034_200000210301 [0,1,0,1,0,0|1,0,0]=3 14568 B10R1.487 CNC1(CCOCC1)CO 2230a_100000751404_200000210301 [0,1,0,1,0,0|2,0,0]=4 14569 B10R1.487 CNC1(CCOCC1)CO 34a_100000751404_200000210301 [0,1,0,1,0,0|2,0,0]=4 14570 B10R1.487 COC1(CCCCC1)CN 34a_100000748649_200000210301 [0,1,0,1,0,0|1,0,0]=3 14571 B10R1.487 COC1(CCOCC1)CN 34a_100000704115_200000210301 [0,1,0,1,0,0|2,0,0]=4 14572 B10R1.487 COC1(CCSCC1)CN 34a_100000758141_200000210301 [0,1,0,1,0,0|2,0,0]=4 14573 B10R1.487 [13CH3]NC1(CCCCC1)C#N 34a_100000184641_200025704644 [0,1,0,1,0,0|2,0,0]=4 14574 B10R1.487 [13CH3]NC1(CCCCC1)CO 2230a_100000740034_200025704644 [0,1,0,1,0,0|1,0,0]=3 14575 B10R1.487 [13CH3]NC1(CCCCC1)CO 34a_100000740034_200025704644 [0,1,0,1,0,0|1,0,0]=3 14576 B10R1.487 [13CH3]NC1(CCOCC1)CO 2230a_100000751404_200025704644 [0,1,0,1,0,0|2,0,0]=4 14577 B10R1.487 [13CH3]NC1(CCOCC1)CO 34a_100000751404_200025704644 [0,1,0,1,0,0|2,0,0]=4 14578 B10R1.487 [13CH3]OC1(CCCCC1)CN 34a_100000748649_200025704644 [0,1,0,1,0,0|1,0,0]=3 14579 B10R1.487 [13CH3]OC1(CCOCC1)CN 34a_100000704115_200025704644 [0,1,0,1,0,0|2,0,0]=4 14580 B10R1.487 [13CH3]OC1(CCSCC1)CN 34a_100000758141_200025704644 [0,1,0,1,0,0|2,0,0]=4 14581 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 14582 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 14583 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 14584 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 14585 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 14586 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 14587 B10R2.335 CN1CCC2(CC1)CC2 2230a_100000755616_200000210301 [0,0,0,2,0,0|2,0,0]=4 14588 B10R2.335 CN1CCC2(CC1)CC2 269982a_100000755616_200000210301 [0,0,0,2,0,0|2,0,0]=4 14589 B10R2.335 CN1CCC2(CC1)CC2 34a_100000755616_200000210301 [0,0,0,2,0,0|2,0,0]=4 14590 B10R2.335 [13CH3]N1CCC2(CC1)CC2 2230a_100000755616_200025704644 [0,0,0,2,0,0|2,0,0]=4 14591 B10R2.335 [13CH3]N1CCC2(CC1)CC2 269982a_100000755616_200025704644 [0,0,0,2,0,0|2,0,0]=4 14592 B10R2.335 [13CH3]N1CCC2(CC1)CC2 34a_100000755616_200025704644 [0,0,0,2,0,0|2,0,0]=4 14593 B10R2.99 CCN1CC2CCC1C2 2230a_100000743476_100000210202 [0,0,0,2,0,0|2,0,0]=4 14594 B10R2.99 CCN1CC2CCC1C2 269982a_100000743476_100000204670 [0,0,0,2,0,0|2,0,0]=4 14595 B10R2.99 CCN1CC2CCC1C2 34a_100000743476_100000210202 [0,0,0,2,0,0|2,0,0]=4 14596 B10R2.99 CNC1CC2CCC1C2 2230a_100000758229_200000210301 [0,0,0,2,0,0|2,0,0]=4 14597 B10R2.99 CNC1CC2CCC1C2 269862a_106832991636_100000223372 [0,0,0,2,0,0|2,0,0]=4 14598 B10R2.99 CNC1CC2CCC1C2 270004a_106832991635_100000223372 [0,0,0,2,0,0|2,0,0]=4 14599 B10R2.99 CNC1CC2CCC1C2 34a_100000758229_200000210301 [0,0,0,2,0,0|2,0,0]=4 14600 B10R2.99 CNC1CC2CCC1C2 34a_100102657272_100000727232 [0,0,0,2,0,0|2,0,0]=4 14601 B10R2.99 COC1CC2CCC1C2 34a_100000211339_200000210301 [0,0,0,2,0,0|2,0,0]=4 14602 B10R2.99 COC1CC2CCC1C2 34a_100138415774_100000727232 [0,0,0,2,0,0|2,0,0]=4 14603 B10R2.99 CSC1CC2CCC1C2 62a_100000727232_200000210301 [0,0,0,2,0,0|2,0,0]=4 14604 B10R2.99 CSC1CC2CCC1C2 62a_200000210301_100000727232 [0,0,0,2,0,0|2,0,0]=4 14605 B10R2.99 [13CH3]NC1CC2CCC1C2 2230a_100000758229_200025704644 [0,0,0,2,0,0|2,0,0]=4 14606 B10R2.99 [13CH3]NC1CC2CCC1C2 34a_100000758229_200025704644 [0,0,0,2,0,0|2,0,0]=4 14607 B10R2.99 [13CH3]OC1CC2CCC1C2 34a_100000211339_200025704644 [0,0,0,2,0,0|2,0,0]=4 14608 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_100000727232_200025704644 [0,0,0,2,0,0|2,0,0]=4 14609 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_200025704644_100000727232 [0,0,0,2,0,0|2,0,0]=4 14610 B10R2.402 CNC1CCCC2C1C2 269862a_106832991636_100000697651 [0,0,0,2,0,0|2,0,0]=4 14611 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 14612 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 14613 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 14614 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 14615 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 14616 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 34a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 14617 B10R2.14 CN1CCC(C1)C2CC2 2230a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 14618 B10R2.14 CN1CCC(C1)C2CC2 269982a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 14619 B10R2.14 CN1CCC(C1)C2CC2 34a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 14620 B10R2.14 C[C@@H]1CCN(C1)C2CC2 269982a_100016987628_100000211595 [0,0,0,2,0,0|2,0,0]=4 14621 B10R2.14 C[C@@H]1CCN(C1)C2CC2 34a_100016987628_100000211595 [0,0,0,2,0,0|2,0,0]=4 14622 B10R2.14 F[C@H]1CCN(C1)C2CC2 269982a_100015203821_100000211595 [0,0,0,2,0,0|2,0,0]=4 14623 B10R2.14 F[C@H]1CCN(C1)C2CC2 34a_100015203821_100000211595 [0,0,0,2,0,0|2,0,0]=4 14624 B10R2.14 OC1CCN(C1)C2CC2 269982a_100011215560_100000211595 [0,0,0,2,0,0|1,0,0]=3 14625 B10R2.14 [13CH3]N1CCC(C1)C2CC2 2230a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 14626 B10R2.14 [13CH3]N1CCC(C1)C2CC2 269982a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 14627 B10R2.14 [13CH3]N1CCC(C1)C2CC2 34a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 14628 B10R2.58 CCCN1CC2CC2C1 2230a_100000741873_100000210303 [0,0,0,2,0,0|2,0,0]=4 14629 B10R2.58 CCCN1CC2CC2C1 269982a_100000741873_100000210303 [0,0,0,2,0,0|2,0,0]=4 14630 B10R2.58 CCCN1CC2CC2C1 34a_100000741873_100000210303 [0,0,0,2,0,0|2,0,0]=4 14631 B10R2.58 CCNC1CC2CC2C1 270004a_100015525214_100010340937 [0,0,0,2,0,0|2,0,0]=4 14632 B10R2.332 CN1CCC2(C1)CCC2 2230a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 14633 B10R2.332 CN1CCC2(C1)CCC2 269982a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 14634 B10R2.332 CN1CCC2(C1)CCC2 34a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 14635 B10R2.332 [13CH3]N1CCC2(C1)CCC2 2230a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 14636 B10R2.332 [13CH3]N1CCC2(C1)CCC2 269982a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 14637 B10R2.332 [13CH3]N1CCC2(C1)CCC2 34a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 14638 B10R2.368 CCNC1CCC2C1C2 269862a_100015525214_100000692480 [0,0,0,2,0,0|2,0,0]=4 14639 B10R2.368 CCNC1CCC2C1C2 270004a_100015525214_100000692480 [0,0,0,2,0,0|2,0,0]=4 14640 B10R2.368 CCOC1CCC2C1C2 34a_200012295571_100000210202 [0,0,0,2,0,0|2,0,0]=4 14641 B10R2.136 C1CC(C1)N2CCCC2 269982a_100000188435_100000749161 [0,0,0,2,0,0|2,0,0]=4 14642 B10R2.136 C1CC(C1)N2CCCC2 270004a_100000188435_100000241760 [0,0,0,2,0,0|2,0,0]=4 14643 B10R2.136 C1CCC(C1)N2CCC2 269982a_100000754969_100000179811 [0,0,0,2,0,0|2,0,0]=4 14644 B10R2.75 CC1CC1COC2CC2 34a_100000744939_100000211595 [0,0,0,2,0,0|2,0,0]=4 14645 B10R2.192 C1CC(C1)CN2CCC2 269982a_100000754969_100000763275 [0,0,0,2,0,0|2,0,0]=4 14646 B10R2.192 C1CC(C1)NC2CCC2 34a_100000749019_100000749161 [0,0,0,2,0,0|2,0,0]=4 14647 B10R2.192 C1CC(C1)OC2CCC2 34a_100000748187_100000749161 [0,0,0,2,0,0|2,0,0]=4 14648 B10R2.192 C1CN(C1)CC2CCO2 269982a_100000754969_100000103362 [0,0,0,2,0,0|1,0,0]=3 14649 B10R2.324 CC1CCN1C2CCC2 269982a_100000755817_100000749161 [0,0,0,2,0,0|2,0,0]=4 14650 B10R2.324 CC1CCN1C2CCC2 34a_100000755817_100000749161 [0,0,0,2,0,0|2,0,0]=4 14651 B10R2.411 C1CC(C1)CNC2CC2 34a_100000212008_100000763275 [0,0,0,2,0,0|2,0,0]=4 14652 B10R2.411 C1CC(C1)CNC2CC2 34a_100000738700_100000211595 [0,0,0,2,0,0|2,0,0]=4 14653 B10R2.411 C1CC(C1)COC2CC2 34a_100000760304_100000211595 [0,0,0,2,0,0|2,0,0]=4 14654 B10R2.411 C1CC(C1)CSC2CC2 62a_100000763275_100000211595 [0,0,0,2,0,0|2,0,0]=4 14655 B10R2.411 C1CC(C1)NCC2CC2 2230a_100000749019_100000742324 [0,0,0,2,0,0|2,0,0]=4 14656 B10R2.411 C1CC(C1)NCC2CC2 269862a_100000749019_100000741477 [0,0,0,2,0,0|2,0,0]=4 14657 B10R2.411 C1CC(C1)NCC2CC2 270004a_100000735609_100000241760 [0,0,0,2,0,0|2,0,0]=4 14658 B10R2.411 C1CC(C1)NCC2CC2 34a_100000735609_100000749161 [0,0,0,2,0,0|2,0,0]=4 14659 B10R2.411 C1CC(C1)NCC2CC2 34a_100000749019_100000742324 [0,0,0,2,0,0|2,0,0]=4 14660 B10R2.411 C1CC(C1)OCC2CC2 34a_100000211283_100000749161 [0,0,0,2,0,0|2,0,0]=4 14661 B10R2.411 C1CC(C1)OCC2CC2 34a_100000748187_100000742324 [0,0,0,2,0,0|2,0,0]=4 14662 B10R2.411 C1CC(C1)SCC2CC2 62a_100000756562_100000749161 [0,0,0,2,0,0|2,0,0]=4 14663 B10R2.411 C1CC(O1)CNC2CC2 34a_100000212008_100000103362 [0,0,0,2,0,0|1,0,0]=3 14664 B10R2.411 C1CC(O1)COC2CC2 34a_100000039022_100000211595 [0,0,0,2,0,0|1,0,0]=3 14665 B10R2.411 C1CC(O1)CSC2CC2 62a_100000103362_100000211595 [0,0,0,2,0,0|1,0,0]=3 14666 B10R2.411 C1CN(C1)CCC2CC2 269982a_100000754969_100000694398 [0,0,0,2,0,0|2,0,0]=4 14667 B10R2.411 C1C[C@H](O1)CNC2CC2 34a_100020831831_100000211595 [0,0,0,2,0,0|1,0,0]=3 14668 B10R2.403 CCN1CCC2(C1)CC2 2230a_100000697357_100000210202 [0,0,0,2,0,0|2,0,0]=4 14669 B10R2.403 CCN1CCC2(C1)CC2 269982a_100000697357_100000204670 [0,0,0,2,0,0|2,0,0]=4 14670 B10R2.403 CCN1CCC2(C1)CC2 34a_100000697357_100000210202 [0,0,0,2,0,0|2,0,0]=4 14671 B10R2.27 CC1CCN1CC2CC2 269982a_100000755817_100000756562 [0,0,0,2,0,0|2,0,0]=4 14672 B10R2.27 CC1CCN1CC2CC2 34a_100000755817_100000742324 [0,0,0,2,0,0|2,0,0]=4 14673 B10R2.103 CCC1CN(C1)C2CC2 269982a_100015205115_100000211595 [0,0,0,2,0,0|2,0,0]=4 14674 B10R2.299 CCCN1CC2(C1)CC2 2230a_100015196877_100000210303 [0,0,0,2,0,0|2,0,0]=4 14675 B10R2.299 CCCN1CC2(C1)CC2 269982a_100015196877_100000210303 [0,0,0,2,0,0|2,0,0]=4 14676 B10R2.299 CCCN1CC2(C1)CC2 34a_100015196877_100000210303 [0,0,0,2,0,0|2,0,0]=4 14677 B10R2.299 CCNC1CC2(C1)CC2 270004a_100015525214_100000718549 [0,0,0,2,0,0|2,0,0]=4 14678 B10R2.400 CCN1CC2(C1)CCC2 2230a_100000690493_100000210202 [0,0,0,2,0,0|2,0,0]=4 14679 B10R2.400 CCN1CC2(C1)CCC2 269982a_100000690493_100000204670 [0,0,0,2,0,0|2,0,0]=4 14680 B10R2.400 CCN1CC2(C1)CCC2 34a_100000690493_100000210202 [0,0,0,2,0,0|2,0,0]=4 14681 B10R2.400 CNC1CC2(C1)CCC2 2230a_100016994570_200000210301 [0,0,0,2,0,0|2,0,0]=4 14682 B10R2.400 [13CH3]NC1CC2(C1)CCC2 2230a_100016994570_200025704644 [0,0,0,2,0,0|2,0,0]=4 14683 B10R2.263 C[C@H]1[C@H](CN1C2CC2)O 269982a_206633788156_100000211595 [0,0,0,2,0,0|1,0,0]=3 14684 B10R2.563 CC1(CC1)NCC2CC2 2230a_100000757604_100000742324 [0,0,0,2,0,0|2,0,0]=4 14685 B10R2.563 CC1(CC1)OCC2CC2 7a_100011725673_100000742324 [0,0,0,2,0,0|2,0,0]=4 14686 B10R2.563 FC1(CC1)COC2CC2 34a_200000703853_100000211595 [0,0,0,2,0,0|2,0,0]=4