0 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.47 C#CCOC[C@H](N)C(=O)N 34a_100000729942_100000184674 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,0,0,0,0,0|3,0,0]=3 17 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,0,0,0,0,0|3,0,0]=3 25 B9R0.47 CC(C)[C@@H](N)COCCO 34a_100011830312_100000211926 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,0,0,0,0,0|2,0,0]=2 30 B9R0.47 CC(COCCO)[N+](=O)[O-] 34a_100000039676_100000211926 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.47 CC(COCCO)[N+](=O)[O-] 7a_100000039676_100000211926 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,0,0,0,0,0|4,0,0]=4 34 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,0,0,0,0,0|4,0,0]=4 35 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,0,0,0,0,0|4,0,0]=4 39 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,0,0,0,0,0|3,0,0]=3 43 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,0,0,0,0,0|4,0,0]=4 48 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,0,0,0,0,0|4,0,0]=4 49 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,0,0,0,0,0|4,0,0]=4 50 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,0,0,0,0,0|4,0,0]=4 51 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,0,0,0,0,0|4,0,0]=4 52 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,0,0,0,0,0|4,0,0]=4 55 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,0,0,0,0,0|3,0,0]=3 56 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,0,0,0,0,0|4,0,0]=4 57 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,0,0,0,0,0|4,0,0]=4 58 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,0,0,0,0,0|4,0,0]=4 59 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,0,0,0,0,0|4,0,0]=4 60 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,0,0,0,0,0|4,0,0]=4 61 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,0,0,0,0,0|4,0,0]=4 62 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,0,0,0,0,0|4,0,0]=4 63 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,0,0,0,0,0|4,0,0]=4 64 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,0,0,0,0,0|4,0,0]=4 67 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,0,0,0,0,0|4,0,0]=4 68 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,0,0,0,0,0|4,0,0]=4 69 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,0,0,0,0,0|4,0,0]=4 73 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,0,0,0,0,0|4,0,0]=4 74 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,0,0,0,0,0|3,0,0]=3 79 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,0,0,0,0,0|3,0,0]=3 80 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,0,0,0,0,0|4,0,0]=4 81 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,0,0,0,0,0|4,0,0]=4 82 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,0,0,0,0,0|3,0,0]=3 83 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,0,0,0,0,0|4,0,0]=4 84 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,0,0,0,0,0|4,0,0]=4 85 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,0,0,0,0,0|4,0,0]=4 86 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,0,0,0,0,0|4,0,0]=4 87 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,0,0,0,0,0|4,0,0]=4 88 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,0,0,0,0,0|4,0,0]=4 89 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,0,0,0,0,0|4,0,0]=4 90 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,0,0,0,0,0|4,0,0]=4 91 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,0,0,0,0,0|4,0,0]=4 92 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,0,0,0,0,0|4,0,0]=4 93 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,0,0,0,0,0|3,0,0]=3 94 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,0,0,0,0,0|3,0,0]=3 95 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,0,0,0,0,0|2,0,2]=4 96 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,0,0,0,0,0|4,0,0]=4 98 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,0,0,0,0,0|3,0,0]=3 99 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,0,0,0,0,0|3,0,0]=3 100 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,0,0,0,0,0|3,0,1]=4 101 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,0,0,0,0,0|2,0,0]=2 103 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,0,0,0,0,0|2,0,2]=4 104 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,0,0,0,0,0|2,0,1]=3 106 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,0,0,0,0,0|4,0,0]=4 109 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,0,0,0,0,0|4,0,0]=4 110 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,0,0,0,0,0|4,0,0]=4 111 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,0,0,0,0,0|4,0,0]=4 112 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,0,0,0,0,0|4,0,0]=4 113 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,0,0,0,0,0|4,0,0]=4 114 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,0,0,0,0,0|4,0,0]=4 115 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,0,0,0,0,0|3,0,0]=3 116 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,0,0,0,0,0|3,0,0]=3 117 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [0,0,0,0,0,0|2,0,2]=4 118 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,0,0,0,0,0|3,0,0]=3 119 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,0,0,0,0,0|2,0,0]=2 120 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,0,0,0,0,0|4,0,0]=4 121 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,0,0,0,0,0|1,0,3]=4 123 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,0,0,0,0,0|3,0,0]=3 124 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,0,0,0,0,0|2,0,0]=2 125 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,0,0,0,0,0|3,0,1]=4 128 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,0,0,0,0,0|3,0,1]=4 129 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,0,0,0,0,0|2,0,1]=3 132 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,0,0,0,0,0|2,0,1]=3 133 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,0,0,0,0,0|2,0,2]=4 134 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [1,0,0,0,0,0|3,0,0]=4 136 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [1,0,0,0,0,0|3,0,0]=4 138 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [1,0,0,0,0,0|3,0,0]=4 140 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [1,0,0,0,0,0|3,0,0]=4 141 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [1,0,0,0,0,0|3,0,0]=4 142 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.6 C=C[C@H](N)COCCF 34a_100016989147_100011217306 [1,0,0,0,0,0|3,0,0]=4 145 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,0,0,0,0,0|2,0,1]=4 147 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,0,0,0,0,0|2,0,1]=4 148 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,0,0,0,0,0|2,0,1]=4 149 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,0,0,0,0,0|2,0,1]=4 150 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,0,0,0,0,0|2,0,1]=4 151 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,0,0,0,0,0|2,0,1]=4 153 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,0,0,0,0,0|2,0,1]=4 154 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,0,0,0,0,0|2,0,1]=4 155 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,0,0,0,0,0|1,0,2]=4 156 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [1,0,0,0,0,0|2,0,1]=4 157 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [1,0,0,0,0,0|2,0,1]=4 158 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [1,0,0,0,0,0|2,0,1]=4 159 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [1,0,0,0,0,0|2,0,1]=4 160 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [1,0,0,0,0,0|2,0,1]=4 161 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [1,0,0,0,0,0|2,0,1]=4 162 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [1,0,0,0,0,0|2,0,1]=4 163 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [1,0,0,0,0,0|2,0,1]=4 165 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,0,0,0,0,0|2,0,1]=4 167 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,0,0,0,0,0|2,0,1]=4 168 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,0,0,0,0,0|2,0,1]=4 169 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,0,0,0,0,0|2,0,1]=4 170 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [1,0,0,0,0,0|3,0,0]=4 171 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [1,0,0,0,0,0|3,0,0]=4 172 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [1,0,0,0,0,0|3,0,0]=4 175 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [1,0,0,0,0,0|3,0,0]=4 177 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [1,0,0,0,0,0|3,0,0]=4 179 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [1,0,0,0,0,0|3,0,0]=4 181 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|2,0,1]=4 183 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|2,0,1]=4 184 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,0,0,0,0,0|2,0,1]=4 187 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|2,0,0]=3 188 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|1,0,0]=2 189 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|1,0,0]=2 190 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|3,0,0]=4 191 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,0,0,0,0,0|3,0,0]=4 195 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,0,0,0,0,0|3,0,0]=4 196 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,0,0,0,0|3,0,0]=4 197 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|2,0,0]=3 199 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|2,0,0]=3 200 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|2,0,0]=3 201 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|2,0,0]=3 202 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|2,0,0]=3 205 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|2,0,0]=3 206 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,0,0,0,0,0|3,0,0]=4 207 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,0,0,0,0,0|2,0,0]=3 208 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,0,0,0,0|2,0,0]=3 209 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,0,0,0,0|2,0,0]=3 210 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,0,0,0,0,0|3,0,0]=4 211 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,0,0,0,0,0|2,0,1]=4 214 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,0,0,0,0,0|2,0,1]=4 215 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,0,0,0,0,0|2,0,1]=4 217 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,0,0,0,0,0|2,0,1]=4 218 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|2,0,0]=3 223 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|2,0,0]=3 224 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|2,0,0]=3 225 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|3,0,0]=4 227 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|3,0,0]=4 228 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|3,0,0]=4 229 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,0,0,0,0,0|3,0,0]=4 231 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,0,0,0,0,0|3,0,0]=4 232 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|2,0,0]=3 233 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|3,0,0]=4 236 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,0,0,0,0,0|3,0,0]=4 237 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,0,0,0,0,0|3,0,0]=4 238 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|3,0,0]=4 239 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,0,0,0,0|2,0,1]=4 240 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|3,0,0]=4 241 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,0,0,0,0,0|3,0,0]=4 242 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,0,0,0,0,0|3,0,0]=4 243 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|3,0,0]=4 244 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,0,0,0,0|2,0,1]=4 245 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,0,0,0,0|2,0,1]=4 246 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,0,0,0,0,0|3,0,0]=4 247 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|3,0,0]=4 248 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|3,0,0]=4 249 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|3,0,0]=4 250 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|3,0,0]=4 251 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|3,0,0]=4 252 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|3,0,0]=4 255 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|3,0,0]=4 256 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|3,0,0]=4 257 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,0,0,0,0|3,0,0]=4 258 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|3,0,0]=4 259 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|3,0,0]=4 260 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|3,0,0]=4 261 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|3,0,0]=4 262 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,0,0,0,0|3,0,0]=4 263 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,0,0,0,0|3,0,0]=4 264 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|3,0,0]=4 265 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|3,0,0]=4 266 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,0,0,0,0|3,0,0]=4 267 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,0,0,0,0|3,0,0]=4 268 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 269 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,0,0,0,0,0|3,0,0]=4 270 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 271 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 273 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|3,0,0]=4 275 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|3,0,0]=4 276 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|3,0,0]=4 277 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|3,0,0]=4 279 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|3,0,0]=4 280 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,0,0,0,0|3,0,0]=4 283 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|3,0,0]=4 284 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|3,0,0]=4 285 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,0,0,0,0|3,0,0]=4 286 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,0,0,0,0,0|2,0,1]=4 287 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,0,0,0,0,0|2,0,1]=4 289 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,0,0,0,0,0|3,0,0]=4 290 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,0,0,0,0,0|3,0,0]=4 291 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,0,0,0,0,0|3,0,0]=4 292 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,0,0,0,0,0|3,0,0]=4 293 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,0,0,0,0,0|2,0,0]=3 294 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,0,0,0,0,0|2,0,0]=3 295 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,0,0,0,0,0|3,0,0]=4 296 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 297 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 298 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,0,0,0,0,0|2,0,0]=3 299 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,0,0,0,0,0|2,0,0]=3 300 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,0,0,0,0,0|3,0,0]=4 301 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,0,0,0,0,0|3,0,0]=4 302 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,0,0,0,0,0|2,0,0]=3 303 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,0,0,0,0,0|2,0,0]=3 304 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,0,0,0,0,0|3,0,0]=4 305 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,0,0,0,0,0|3,0,0]=4 306 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,0,0,0,0,0|3,0,0]=4 307 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,0,0,0,0,0|2,0,0]=3 308 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,0,0,0,0,0|3,0,0]=4 309 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,0,0,0,0,0|3,0,0]=4 310 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,0,0,0,0,0|3,0,0]=4 311 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,0,0,0,0,0|3,0,0]=4 312 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,0,0,0,0,0|3,0,0]=4 313 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,0,0,0,0,0|2,0,0]=3 314 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,0,0,0,0,0|2,0,0]=3 315 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,0,0,0,0,0|3,0,0]=4 316 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,0,0,0,0,0|3,0,0]=4 318 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,0,0,0,0|2,0,0]=3 319 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|1,0,0]=2 320 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,0,0,0,0,0|3,0,0]=4 321 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,0,0,0,0,0|2,0,0]=3 322 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,0,0,0,0,0|1,0,1]=3 329 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,0,0,0,0,0|1,0,1]=3 330 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|1,0,0]=2 332 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|2,0,0]=3 333 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|3,0,0]=4 334 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,0,0,0,0|3,0,0]=4 335 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,0,0,0,0|3,0,0]=4 336 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [1,0,0,0,0,0|3,0,0]=4 338 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [1,0,0,0,0,0|3,0,0]=4 340 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [1,0,0,0,0,0|3,0,0]=4 341 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,0,0,0,0,0|3,0,0]=4 342 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,0,0,0,0,0|3,0,0]=4 344 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [1,0,0,0,0,0|3,0,0]=4 345 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [1,0,0,0,0,0|3,0,0]=4 346 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [1,0,0,0,0,0|3,0,0]=4 347 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [1,0,0,0,0,0|3,0,0]=4 348 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,0,0,0,0|2,0,0]=3 349 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,0,0,0,0|2,0,0]=3 350 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,0,0,0,0|2,0,0]=3 351 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,0,0,0,0,0|2,0,0]=3 352 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,0,0,0,0,0|2,0,0]=3 353 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,0,0,0,0,0|3,0,0]=4 354 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,0,0,0,0,0|3,0,0]=4 355 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,0,0,0,0,0|3,0,0]=4 356 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,0,0,0,0,0|3,0,0]=4 357 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,0,0,0,0,0|2,0,0]=3 358 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,0,0,0,0,0|3,0,0]=4 360 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,0,0,0,0,0|3,0,0]=4 361 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,0,0,0,0,0|3,0,0]=4 362 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,0,0,0,0,0|2,0,1]=4 365 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,0,0,0,0,0|3,0,0]=4 366 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,0,0,0,0,0|3,0,0]=4 367 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,0,0,0,0,0|3,0,0]=4 368 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,0,0,0,0,0|3,0,0]=4 369 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,0,0,0,0,0|3,0,0]=4 370 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,0,0,0,0,0|3,0,0]=4 371 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,0,0,0,0,0|3,0,0]=4 372 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,0,0,0,0,0|2,0,1]=4 374 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,0,0,0,0,0|2,0,1]=4 375 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,0,0,0,0,0|2,0,0]=3 376 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,0,0,0,0,0|2,0,0]=3 377 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,0,0,0,0,0|3,0,0]=4 378 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,0,0,0,0,0|3,0,0]=4 379 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|2,0,0]=3 380 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,0,0,0,0,0|3,0,0]=4 381 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,0,0,0,0,0|3,0,0]=4 382 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,0,0,0,0,0|3,0,0]=4 383 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,0,0,0,0,0|3,0,0]=4 384 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [1,0,0,0,0,0|3,0,0]=4 385 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [1,0,0,0,0,0|3,0,0]=4 386 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [1,0,0,0,0,0|3,0,0]=4 387 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [1,0,0,0,0,0|3,0,0]=4 388 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,0,0,0,0,0|3,0,0]=4 389 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,0,0,0,0,0|2,0,0]=3 390 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [1,0,0,0,0,0|3,0,0]=4 392 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [1,0,0,0,0,0|3,0,0]=4 393 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [1,0,0,0,0,0|3,0,0]=4 394 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [1,0,0,0,0,0|3,0,0]=4 395 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [1,0,0,0,0,0|3,0,0]=4 396 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,0,0,0,0,0|3,0,0]=4 397 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [1,0,0,0,0,0|2,0,1]=4 398 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [1,0,0,0,0,0|2,0,1]=4 399 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [1,0,0,0,0,0|2,0,1]=4 400 B10R0.26 CC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100009814033 [0,1,0,0,0,0|3,0,0]=4 401 B10R0.26 CC(=O)C(C)OC(C)CCO 34a_100000212229_100009893172 [0,1,0,0,0,0|3,0,0]=4 402 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009814033_100009893172 [0,1,0,0,0,0|3,0,0]=4 403 B10R0.26 CC(=O)C(C)SC(C)CCO 62a_100009893172_100009814033 [0,1,0,0,0,0|3,0,0]=4 404 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,1,0,0,0,0|2,0,0]=3 405 B10R0.26 CC(CCO)N[C@H](C)C(=O)N 2230a_100000119354_100009893172 [0,1,0,0,0,0|3,0,0]=4 406 B10R0.26 CC(CCO)N[C@H](C)C(=O)N 34a_100000119354_100009893172 [0,1,0,0,0,0|3,0,0]=4 407 B10R0.26 CC(CCO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100009893172 [0,1,0,0,0,0|2,0,1]=4 408 B10R0.26 CC(CCO)O[C@H](C)C(=O)N 34a_100000731257_100009893172 [0,1,0,0,0,0|3,0,0]=4 409 B10R0.26 CC(CCO)O[C@H](C)C(=O)N 7a_100000731257_100009893172 [0,1,0,0,0,0|3,0,0]=4 410 B10R0.26 CC(CCO)SC(C)C(=O)N 62a_100000702099_100009893172 [0,1,0,0,0,0|3,0,0]=4 411 B10R0.26 CC(CCO)SC(C)C(=O)N 62a_100009893172_100000702099 [0,1,0,0,0,0|3,0,0]=4 412 B10R0.26 CC(CCO)SC(F)C(=O)N 62a_100009813875_100009893172 [0,1,0,0,0,0|3,0,0]=4 413 B10R0.26 CC(CCO)SC(F)C(=O)N 62a_100009893172_100009813875 [0,1,0,0,0,0|3,0,0]=4 414 B10R0.26 CC(CCO)SC(F)C(=O)[O-] 62a_100009893172_100020610796 [0,1,0,0,0,0|2,0,1]=4 415 B10R0.26 CC(CCO)SC(F)C(=O)[O-] 62a_100020610796_100009893172 [0,1,0,0,0,0|2,0,1]=4 416 B10R0.26 CC(N[C@H](C)CCO)C(=O)N 2230a_100000706166_100000702099 [0,1,0,0,0,0|3,0,0]=4 417 B10R0.26 CC(N[C@H](C)CCO)C(=O)N 34a_100000706166_100000702099 [0,1,0,0,0,0|3,0,0]=4 418 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,1,0,0,0,0|3,0,0]=4 419 B10R0.26 C[C@H](CCO)NC(F)C(=O)N 2230a_100000706166_100009813875 [0,1,0,0,0,0|3,0,0]=4 420 B10R0.26 C[C@H](CCO)NC(F)C(=O)N 34a_100000706166_100009813875 [0,1,0,0,0,0|3,0,0]=4 421 B10R0.26 C[C@H](CCO)NC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,1,0,0,0,0|2,0,1]=4 422 B10R0.42 CC(=O)C(C)(C)OCCCO 34a_100000747739_100000230001 [0,1,0,0,0,0|3,0,0]=4 423 B10R0.42 CC(=O)C(C)(C)OCCCO 7a_100000747739_100011215043 [0,1,0,0,0,0|3,0,0]=4 424 B10R0.42 CC(=O)C(C)(C)SCCCO 62a_100000075568_100011215043 [0,1,0,0,0,0|3,0,0]=4 425 B10R0.42 CC(=O)C(C)(C)SCCCO 62a_100011215043_100000075568 [0,1,0,0,0,0|3,0,0]=4 426 B10R0.42 CC(C)(CNCCF)C(=O)O 269956a_100000693527_100011217306 [0,1,0,0,0,0|3,0,0]=4 427 B10R0.42 CC(C)(CNCCO)C(=O)N 2230a_100000740840_100000211926 [0,1,0,0,0,0|3,0,0]=4 428 B10R0.42 CC(C)(CNCCO)C(=O)N 34a_100000740840_100000211926 [0,1,0,0,0,0|3,0,0]=4 429 B10R0.42 CC(C)(CNCCO)C(=O)N 34a_100016990907_200009895572 [0,1,0,0,0,0|3,0,0]=4 430 B10R0.42 CC(C)(CNCCO)C(=O)O 269956a_100000693527_100000211926 [0,1,0,0,0,0|2,0,0]=3 431 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_100000211926_200009895572 [0,1,0,0,0,0|3,0,0]=4 432 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_200009895572_100000211926 [0,1,0,0,0,0|3,0,0]=4 433 B10R0.42 CC(C)(NCCCO)C(=O)N 2230a_100000743658_100000230001 [0,1,0,0,0,0|3,0,0]=4 434 B10R0.42 CC(C)(NCCCO)C(=O)N 34a_100000743658_100000230001 [0,1,0,0,0,0|3,0,0]=4 435 B10R0.42 CC(C)(OCCCO)C(=O)N 34a_100011626353_100000230001 [0,1,0,0,0,0|3,0,0]=4 436 B10R0.42 CC(C)(OCCCO)C(=O)N 7a_100011626353_100011215043 [0,1,0,0,0,0|3,0,0]=4 437 B10R0.42 CC(C)(ONCCO)C(=O)O 269956a_100016989451_100000211926 [0,1,0,0,0,0|3,0,0]=4 438 B10R0.42 CC(C)(SCCCO)C(=O)N 62a_100000702505_100011215043 [0,1,0,0,0,0|3,0,0]=4 439 B10R0.42 CC(C)(SCCCO)C(=O)N 62a_100011215043_100000702505 [0,1,0,0,0,0|3,0,0]=4 440 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,1,0,0,0,0|3,0,0]=4 441 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,1,0,0,0,0|3,0,0]=4 442 B10R0.42 NC(=O)C(F)(F)SCCCO 62a_100009811971_100011215043 [0,1,0,0,0,0|3,0,0]=4 443 B10R0.42 NC(=O)C(F)(F)SCCCO 62a_100011215043_100009811971 [0,1,0,0,0,0|3,0,0]=4 444 B10R0.42 O=C(O)C(F)(F)CNCCF 269956a_100000734215_100011217306 [0,1,0,0,0,0|3,0,0]=4 445 B10R0.42 O=C(O)C(F)(F)CNCCO 269956a_100000734215_100000211926 [0,1,0,0,0,0|2,0,0]=3 446 B10R0.42 O=C([O-])C(F)(F)SCCCO 62a_100000745680_100011215043 [0,1,0,0,0,0|2,0,1]=4 447 B10R0.42 O=C([O-])C(F)(F)SCCCO 62a_100011215043_100000745680 [0,1,0,0,0,0|2,0,1]=4 448 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,1,0,0,0,0|2,0,1]=4 449 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,1,0,0,0,0|2,0,1]=4 450 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,1,0,0,0,0|2,0,1]=4 451 B10R0.75 C#CCCOC[C@H](N)C(=O)N 34a_100000729942_100000688953 [0,1,0,0,0,0|2,0,1]=4 452 B10R0.75 C=C(C)C(C)NCCCCO 269862a_100000750430_100011216138 [0,1,0,0,0,0|3,0,0]=4 453 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,1,0,0,0,0|2,0,1]=4 454 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,1,0,0,0,0|2,0,1]=4 455 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,1,0,0,0,0|2,0,1]=4 456 B10R0.75 C=CCCOC[C@H](N)C(=O)N 34a_100000729942_100000754431 [0,1,0,0,0,0|2,0,1]=4 457 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,1,0,0,0,0|2,0,1]=4 458 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,1,0,0,0,0|2,0,1]=4 459 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,1,0,0,0,0|3,0,0]=4 460 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,1,0,0,0,0|3,0,0]=4 461 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,1,0,0,0,0|2,0,0]=3 462 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,1,0,0,0,0|2,0,0]=3 463 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,1,0,0,0,0|2,0,0]=3 464 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,1,0,0,0,0|3,0,0]=4 465 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,1,0,0,0,0|3,0,0]=4 466 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,1,0,0,0,0|3,0,0]=4 467 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,1,0,0,0,0|2,0,0]=3 468 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,1,0,0,0,0|3,0,0]=4 469 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,1,0,0,0,0|3,0,0]=4 470 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,1,0,0,0,0|2,0,0]=3 471 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,1,0,0,0,0|2,0,0]=3 472 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,1,0,0,0,0|3,0,0]=4 473 B10R0.75 CC(=O)N(C)CCOCCO 240690a_100000228057_100015343762 [0,1,0,0,0,0|3,0,0]=4 474 B10R0.75 CC(C)C(N)CCOCCO 34a_100161115045_100000211926 [0,1,0,0,0,0|2,0,1]=4 475 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [0,1,0,0,0,0|2,0,1]=4 476 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,1,0,0,0,0|2,0,1]=4 477 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,1,0,0,0,0|2,0,0]=3 478 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,1,0,0,0,0|1,0,0]=2 479 B10R0.75 CC(COCCCO)[N+](=O)[O-] 34a_100000039676_100000230001 [0,1,0,0,0,0|2,0,1]=4 480 B10R0.75 CC(COCCCO)[N+](=O)[O-] 7a_100000039676_100011215043 [0,1,0,0,0,0|2,0,1]=4 481 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,1,0,0,0,0|2,0,0]=3 482 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,1,0,0,0,0|2,0,0]=3 483 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,1,0,0,0,0|3,0,0]=4 484 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 485 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 486 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,1,0,0,0,0|3,0,0]=4 487 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,1,0,0,0,0|3,0,0]=4 488 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,1,0,0,0,0|3,0,0]=4 489 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,1,0,0,0,0|3,0,0]=4 490 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,1,0,0,0,0|3,0,0]=4 491 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,1,0,0,0,0|3,0,0]=4 492 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,1,0,0,0,0|2,0,0]=3 493 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,1,0,0,0,0|2,0,0]=3 494 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|3,0,0]=4 495 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|3,0,0]=4 496 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|3,0,0]=4 497 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,1,0,0,0,0|3,0,0]=4 498 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,1,0,0,0,0|3,0,0]=4 499 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,1,0,0,0,0|3,0,0]=4 500 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,0,0,0,0|2,0,0]=3 501 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,1,0,0,0,0|3,0,0]=4 502 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,1,0,0,0,0|3,0,0]=4 503 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,1,0,0,0,0|3,0,0]=4 504 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,1,0,0,0,0|3,0,0]=4 505 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,1,0,0,0,0|3,0,0]=4 506 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,1,0,0,0,0|3,0,0]=4 507 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,1,0,0,0,0|3,0,0]=4 508 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,1,0,0,0,0|3,0,0]=4 509 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,1,0,0,0,0|2,0,1]=4 510 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,1,0,0,0,0|2,0,1]=4 511 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,1,0,0,0,0|3,0,0]=4 512 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,1,0,0,0,0|3,0,0]=4 513 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,1,0,0,0,0|3,0,0]=4 514 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,1,0,0,0,0|3,0,0]=4 515 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,1,0,0,0,0|3,0,0]=4 516 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,1,0,0,0,0|3,0,0]=4 517 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,1,0,0,0,0|3,0,0]=4 518 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,1,0,0,0,0|3,0,0]=4 519 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,1,0,0,0,0|2,0,1]=4 520 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,1,0,0,0,0|2,0,1]=4 521 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,0,0,0,0|2,0,0]=3 522 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,0,0,0,0|2,0,0]=3 523 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,1,0,0,0,0|3,0,0]=4 524 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,1,0,0,0,0|3,0,0]=4 525 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,1,0,0,0,0|2,0,0]=3 526 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,1,0,0,0,0|3,0,0]=4 527 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,1,0,0,0,0|3,0,0]=4 528 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,1,0,0,0,0|3,0,0]=4 529 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,1,0,0,0,0|3,0,0]=4 530 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [0,1,0,0,0,0|3,0,0]=4 531 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [0,1,0,0,0,0|3,0,0]=4 532 B10R0.75 COCCCNC(F)C(=O)[O-] 34a_100150723488_100020610796 [0,1,0,0,0,0|2,0,1]=4 533 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,1,0,0,0,0|2,0,0]=3 534 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [0,1,0,0,0,0|3,0,0]=4 535 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [0,1,0,0,0,0|3,0,0]=4 536 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,1,0,0,0,0|3,0,0]=4 537 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,1,0,0,0,0|3,0,0]=4 538 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,1,0,0,0,0|3,0,0]=4 539 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,1,0,0,0,0|2,0,1]=4 540 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,1,0,0,0,0|2,0,1]=4 541 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,1,0,0,0,0|3,0,0]=4 542 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,1,0,0,0,0|3,0,0]=4 543 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,1,0,0,0,0|3,0,0]=4 544 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,1,0,0,0,0|3,0,0]=4 545 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [0,1,0,0,0,0|3,0,0]=4 546 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [0,1,0,0,0,0|3,0,0]=4 547 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [0,1,0,0,0,0|3,0,0]=4 548 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [0,1,0,0,0,0|3,0,0]=4 549 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100000709357_100020610796 [0,1,0,0,0,0|2,0,1]=4 550 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100020610796_100000709357 [0,1,0,0,0,0|2,0,1]=4 551 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,1,0,0,0,0|2,0,0]=3 552 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,1,0,0,0,0|2,0,0]=3 553 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,1,0,0,0,0|3,0,0]=4 554 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,1,0,0,0,0|3,0,0]=4 555 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,1,0,0,0,0|2,0,0]=3 556 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,1,0,0,0,0|2,1,0]=4 557 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,1,0,0,0,0|2,1,0]=4 558 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,1,0,0,0,0|2,1,0]=4 559 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,1,0,0,0,0|3,0,0]=4 560 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,1,0,0,0,0|3,0,0]=4 561 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,1,0,0,0,0|2,0,0]=3 562 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,1,0,0,0,0|2,0,0]=3 563 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,1,0,0,0,0|3,0,0]=4 564 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,1,0,0,0,0|3,0,0]=4 565 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,1,0,0,0,0|2,0,0]=3 566 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,1,0,0,0,0|2,0,0]=3 567 B10R0.75 C[C@H](NCC#CCO)C(=O)O 269956a_100000743915_200000047223 [0,1,0,0,0,0|1,0,2]=4 568 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,1,0,0,0,0|2,0,1]=4 569 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,1,0,0,0,0|1,0,2]=4 570 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,1,0,0,0,0|2,0,0]=3 571 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,1,0,0,0,0|1,0,0]=2 572 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,1,0,0,0,0|2,0,1]=4 573 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,1,0,0,0,0|1,0,1]=3 574 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,1,0,0,0,0|2,0,1]=4 575 B10R0.75 NC(=O)C(=O)NCCCCO 240690a_100000750430_100011215815 [0,1,0,0,0,0|2,0,1]=4 576 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,1,0,0,0,0|2,0,0]=3 577 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,1,0,0,0,0|2,0,0]=3 578 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [0,1,0,0,0,0|3,0,0]=4 579 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 580 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 581 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [0,1,0,0,0,0|3,0,0]=4 582 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [0,1,0,0,0,0|3,0,0]=4 583 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [0,1,0,0,0,0|3,0,0]=4 584 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [0,1,0,0,0,0|3,0,0]=4 585 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [0,1,0,0,0,0|3,0,0]=4 586 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,1,0,0,0,0|2,0,0]=3 587 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,1,0,0,0,0|2,0,0]=3 588 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,1,0,0,0,0|2,0,0]=3 589 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,1,0,0,0,0|1,0,0]=2 590 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,1,0,0,0,0|3,0,0]=4 591 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,1,0,0,0,0|2,0,1]=4 592 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,1,0,0,0,0|2,0,0]=3 593 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,1,0,0,0,0|1,0,0]=2 594 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,1,0,0,0,0|1,0,1]=3 595 B10R0.75 O=C([O-])C(F)OCCCCBr 34a_100011216708_100020610796 [0,1,0,0,0,0|2,0,1]=4 596 B10R0.75 O=C([O-])C(F)OCCCCCl 34a_100000210776_100020610796 [0,1,0,0,0,0|2,0,1]=4 597 B10R0.75 O=C([O-])C(F)OCCCCF 34a_100011995726_100020610796 [0,1,0,0,0,0|2,0,1]=4 598 B10R0.75 O=C([O-])C(F)OCCCCI 34a_200012148704_100020610796 [0,1,0,0,0,0|2,0,1]=4 599 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100000729493_100020610796 [0,1,0,0,0,0|2,0,1]=4 600 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100020610796_100000729493 [0,1,0,0,0,0|2,0,1]=4 601 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,1,0,0,0,0|1,0,1]=3 602 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,1,0,0,0,0|1,0,1]=3 603 B10R0.81 CC(=O)C(C)N(C)CCCO 2230a_100000213112_100009814033 [0,1,0,0,0,0|3,0,0]=4 604 B10R0.81 CC(=O)C(C)N(C)CCCO 269982a_100000213112_100009814033 [0,1,0,0,0,0|3,0,0]=4 605 B10R0.81 CC(C(=O)N)N(C)CCCO 2230a_100000213112_100000702099 [0,1,0,0,0,0|3,0,0]=4 606 B10R0.81 CC(C(=O)N)N(C)CCCO 269982a_100000213112_100000184083 [0,1,0,0,0,0|3,0,0]=4 607 B10R0.81 CC(C(=O)O)N(C)CCCF 269956a_100000749554_100011934791 [0,1,0,0,0,0|3,0,0]=4 608 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [0,1,0,0,0,0|2,0,0]=3 609 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,1,0,0,0,0|3,0,0]=4 610 B10R0.81 CCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210303 [0,1,0,0,0,0|3,0,0]=4 611 B10R0.81 CN(CCCO)C(F)C(=O)N 2230a_100000213112_100009813875 [0,1,0,0,0,0|3,0,0]=4 612 B10R0.81 CN(CCCO)C(F)C(=O)N 269982a_100000213112_100009813875 [0,1,0,0,0,0|3,0,0]=4 613 B10R0.81 C[C@@H](OCCF)[C@H](N)C(=O)N 34a_100000003557_100011217306 [0,1,0,0,0,0|3,0,0]=4 614 B10R0.81 C[C@@H](OCCO)[C@H](N)C(=O)N 34a_100000003557_100000211926 [0,1,0,0,0,0|2,0,0]=3 615 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,1,0,0,0,0|3,0,0]=4 616 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,1,0,0,0,0|3,0,0]=4 617 B10R0.82 CC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100009814033 [0,1,0,0,0,0|3,0,0]=4 618 B10R0.82 CC(=O)C(C)OCC(O)CO 34a_100000212229_100011219619 [0,1,0,0,0,0|3,0,0]=4 619 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,1,0,0,0,0|3,0,0]=4 620 B10R0.82 CC(=O)C(C)OC[C@@H](O)CO 34a_100000212229_100009815848 [0,1,0,0,0,0|3,0,0]=4 621 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100009814033_100011219619 [0,1,0,0,0,0|3,0,0]=4 622 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100011219619_100009814033 [0,1,0,0,0,0|3,0,0]=4 623 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100009814033 [0,1,0,0,0,0|3,0,0]=4 624 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100009814033_100000059175 [0,1,0,0,0,0|3,0,0]=4 625 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009814033_100009815848 [0,1,0,0,0,0|3,0,0]=4 626 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100009814033 [0,1,0,0,0,0|3,0,0]=4 627 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,0|2,0,0]=3 628 B10R0.82 CC(CO)CNC(C)C(=O)N 34a_100000744482_100000702099 [0,1,0,0,0,0|3,0,0]=4 629 B10R0.82 CC(CO)CNC(F)C(=O)N 34a_100000744482_100009813875 [0,1,0,0,0,0|3,0,0]=4 630 B10R0.82 CC(CO)CNC(F)C(=O)[O-] 34a_100000744482_100020610796 [0,1,0,0,0,0|2,0,1]=4 631 B10R0.82 CC(CO)OC[C@H](N)C(=O)N 34a_100000729942_100012180447 [0,1,0,0,0,0|2,0,0]=3 632 B10R0.82 CC(NC[C@@H](F)CO)C(=O)N 34a_100015665980_100000702099 [0,1,0,0,0,0|3,0,0]=4 633 B10R0.82 CC(NC[C@H](O)CO)C(=O)N 2230a_100020644852_100000702099 [0,1,0,0,0,0|3,0,0]=4 634 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100000702099_100011219619 [0,1,0,0,0,0|3,0,0]=4 635 B10R0.82 CC(SCC(O)CO)C(=O)N 62a_100011219619_100000702099 [0,1,0,0,0,0|3,0,0]=4 636 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000059175_100000702099 [0,1,0,0,0,0|3,0,0]=4 637 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000702099_100000059175 [0,1,0,0,0,0|3,0,0]=4 638 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100000702099_100009815848 [0,1,0,0,0,0|3,0,0]=4 639 B10R0.82 CC(SC[C@@H](O)CO)C(=O)N 62a_100009815848_100000702099 [0,1,0,0,0,0|3,0,0]=4 640 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,1,0,0,0,0|3,0,0]=4 641 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,1,0,0,0,0|3,0,0]=4 642 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,1,0,0,0,0|3,0,0]=4 643 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,1,0,0,0,0|3,0,0]=4 644 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,1,0,0,0,0|3,0,0]=4 645 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,1,0,0,0,0|3,0,0]=4 646 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,0|2,0,0]=3 647 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 2230a_100000119354_100000059175 [0,1,0,0,0,0|3,0,0]=4 648 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 34a_100000119354_100000059175 [0,1,0,0,0,0|3,0,0]=4 649 B10R0.82 C[C@@H](CO)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000059175 [0,1,0,0,0,0|2,0,1]=4 650 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 34a_100000731257_100000059175 [0,1,0,0,0,0|3,0,0]=4 651 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 7a_100000731257_100000059175 [0,1,0,0,0,0|3,0,0]=4 652 B10R0.82 C[C@@H](CO)CSC(F)C(=O)N 62a_100000059175_100009813875 [0,1,0,0,0,0|3,0,0]=4 653 B10R0.82 C[C@@H](CO)CSC(F)C(=O)N 62a_100009813875_100000059175 [0,1,0,0,0,0|3,0,0]=4 654 B10R0.82 C[C@@H](CO)CSC(F)C(=O)[O-] 62a_100000059175_100020610796 [0,1,0,0,0,0|2,0,1]=4 655 B10R0.82 C[C@@H](CO)CSC(F)C(=O)[O-] 62a_100020610796_100000059175 [0,1,0,0,0,0|2,0,1]=4 656 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N 2230a_100000119354_100011219619 [0,1,0,0,0,0|3,0,0]=4 657 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N 34a_100000119354_100011219619 [0,1,0,0,0,0|3,0,0]=4 658 B10R0.82 C[C@@H](NC[C@@H](O)CO)C(=O)N 2230a_100000119354_100009815848 [0,1,0,0,0,0|3,0,0]=4 659 B10R0.82 C[C@@H](NC[C@@H](O)CO)C(=O)N 34a_100000119354_100009815848 [0,1,0,0,0,0|3,0,0]=4 660 B10R0.82 C[C@@H](OCC(O)CO)C(=O)N 34a_100000731257_100011219619 [0,1,0,0,0,0|3,0,0]=4 661 B10R0.82 C[C@@H](OCC(O)CO)C(=O)N 7a_100000731257_100011219619 [0,1,0,0,0,0|3,0,0]=4 662 B10R0.82 C[C@@H](OC[C@@H](O)CO)C(=O)N 34a_100000731257_100009815848 [0,1,0,0,0,0|3,0,0]=4 663 B10R0.82 C[C@@H](OC[C@@H](O)CO)C(=O)N 7a_100000731257_100009815848 [0,1,0,0,0,0|3,0,0]=4 664 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,1,0,0,0,0|2,0,0]=3 665 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,1,0,0,0,0|2,0,0]=3 666 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,1,0,0,0,0|3,0,0]=4 667 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,1,0,0,0,0|2,0,0]=3 668 B10R0.82 C[C@H](OCC(O)CO)C(=O)[O-] 7a_217856618621_100011219619 [0,1,0,0,0,0|2,0,1]=4 669 B10R0.82 C[C@H](OC[C@@H](O)CO)C(=O)[O-] 7a_217856618621_100009815848 [0,1,0,0,0,0|2,0,1]=4 670 B10R0.82 NC(=O)C(F)NC[C@@H](F)CO 34a_100015665980_100009813875 [0,1,0,0,0,0|3,0,0]=4 671 B10R0.82 NC(=O)C(F)NC[C@H](O)CO 2230a_100020644852_100009813875 [0,1,0,0,0,0|3,0,0]=4 672 B10R0.82 NC(=O)C(F)SCC(O)CO 62a_100009813875_100011219619 [0,1,0,0,0,0|3,0,0]=4 673 B10R0.82 NC(=O)C(F)SCC(O)CO 62a_100011219619_100009813875 [0,1,0,0,0,0|3,0,0]=4 674 B10R0.82 NC(=O)C(F)SC[C@@H](O)CO 62a_100009813875_100009815848 [0,1,0,0,0,0|3,0,0]=4 675 B10R0.82 NC(=O)C(F)SC[C@@H](O)CO 62a_100009815848_100009813875 [0,1,0,0,0,0|3,0,0]=4 676 B10R0.82 O=C([O-])C(F)NC[C@@H](F)CO 34a_100015665980_100020610796 [0,1,0,0,0,0|2,0,1]=4 677 B10R0.82 O=C([O-])C(F)SCC(O)CO 62a_100011219619_100020610796 [0,1,0,0,0,0|2,0,1]=4 678 B10R0.82 O=C([O-])C(F)SCC(O)CO 62a_100020610796_100011219619 [0,1,0,0,0,0|2,0,1]=4 679 B10R0.82 O=C([O-])C(F)SC[C@@H](O)CO 62a_100009815848_100020610796 [0,1,0,0,0,0|2,0,1]=4 680 B10R0.82 O=C([O-])C(F)SC[C@@H](O)CO 62a_100020610796_100009815848 [0,1,0,0,0,0|2,0,1]=4 681 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,1,0,0,0,0|3,0,0]=4 682 B10R0.83 C#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000184674 [0,1,0,0,0,0|2,0,1]=4 683 B10R0.83 C=C(CNCCO)C(=O)OC 34a_100016990907_100009813391 [0,1,0,0,0,0|2,0,1]=4 684 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100000211926_100009813391 [0,1,0,0,0,0|2,0,1]=4 685 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100009813391_100000211926 [0,1,0,0,0,0|2,0,1]=4 686 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,1,0,0,0,0|3,0,0]=4 687 B10R0.83 C=CC(=O)N(C)CCCCO 240690a_100000717598_200121576911 [0,1,0,0,0,0|3,0,0]=4 688 B10R0.83 C=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015514636 [0,1,0,0,0,0|2,0,1]=4 689 B10R0.83 CC(OCCCO)C(=O)NN 34a_100000725659_100000230001 [0,1,0,0,0,0|3,0,0]=4 690 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [0,1,0,0,0,0|3,0,0]=4 691 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [0,1,0,0,0,0|3,0,0]=4 692 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,1,0,0,0,0|3,0,0]=4 693 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,1,0,0,0,0|3,0,0]=4 694 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,1,0,0,0,0|3,0,0]=4 695 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,1,0,0,0,0|3,0,0]=4 696 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,1,0,0,0,0|2,0,0]=3 697 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,1,0,0,0,0|3,0,0]=4 698 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,1,0,0,0,0|3,0,0]=4 699 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,1,0,0,0,0|3,0,0]=4 700 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,1,0,0,0,0|3,0,0]=4 701 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,1,0,0,0,0|3,0,0]=4 702 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,1,0,0,0,0|3,0,0]=4 703 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,1,0,0,0,0|3,0,0]=4 704 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,1,0,0,0,0|3,0,0]=4 705 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,1,0,0,0,0|3,0,0]=4 706 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,1,0,0,0,0|3,0,0]=4 707 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,1,0,0,0,0|3,0,0]=4 708 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,1,0,0,0,0|3,0,0]=4 709 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,1,0,0,0,0|3,0,0]=4 710 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,1,0,0,0,0|3,0,0]=4 711 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,1,0,0,0,0|3,0,0]=4 712 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,1,0,0,0,0|3,0,0]=4 713 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,1,0,0,0,0|3,0,0]=4 714 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,1,0,0,0,0|3,0,0]=4 715 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,1,0,0,0,0|2,0,0]=3 716 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,1,0,0,0,0|3,0,0]=4 717 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,1,0,0,0,0|3,0,0]=4 718 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,1,0,0,0,0|3,0,0]=4 719 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,1,0,0,0,0|3,0,0]=4 720 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,1,0,0,0,0|3,0,0]=4 721 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,1,0,0,0,0|3,0,0]=4 722 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,1,0,0,0,0|2,0,0]=3 723 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,1,0,0,0,0|2,0,1]=4 724 B10R0.83 CNC(=O)C(C)CNCCO 2230a_100015187722_100000211926 [0,1,0,0,0,0|3,0,0]=4 725 B10R0.83 CNC(=O)C(C)CNCCO 34a_100015187722_100000211926 [0,1,0,0,0,0|3,0,0]=4 726 B10R0.83 CNC(=O)C(C)SCCCO 62a_100000209862_100011215043 [0,1,0,0,0,0|3,0,0]=4 727 B10R0.83 CNC(=O)C(C)SCCCO 62a_100011215043_100000731044 [0,1,0,0,0,0|3,0,0]=4 728 B10R0.83 CNC(=O)C(F)SCCCO 62a_100009813575_100011215043 [0,1,0,0,0,0|3,0,0]=4 729 B10R0.83 CNC(=O)C(F)SCCCO 62a_100011215043_100009813575 [0,1,0,0,0,0|3,0,0]=4 730 B10R0.83 CNC(=O)N(C)CCCCO 2708a_100102657272_100000717598 [0,1,0,0,0,0|3,0,0]=4 731 B10R0.83 CNC(=O)N(C)CCCCO 273464a_100102657272_100000717598 [0,1,0,0,0,0|3,0,0]=4 732 B10R0.83 CNC(=O)[C@@H](C)NCCCO 2230a_100000684985_100000230001 [0,1,0,0,0,0|3,0,0]=4 733 B10R0.83 CNC(=O)[C@@H](C)NCCCO 34a_100000684985_100000230001 [0,1,0,0,0,0|3,0,0]=4 734 B10R0.83 COC(=O)C(=O)CNCCO 34a_100016990907_100011610305 [0,1,0,0,0,0|2,0,1]=4 735 B10R0.83 COC(=O)C(=O)CSCCO 62a_100000211926_100011610305 [0,1,0,0,0,0|2,0,1]=4 736 B10R0.83 COC(=O)C(=O)CSCCO 62a_100011610305_100000211926 [0,1,0,0,0,0|2,0,1]=4 737 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [0,1,0,0,0,0|2,0,1]=4 738 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [0,1,0,0,0,0|2,0,1]=4 739 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,1,0,0,0,0|3,0,0]=4 740 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,1,0,0,0,0|3,0,0]=4 741 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,1,0,0,0,0|3,0,0]=4 742 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,1,0,0,0,0|2,0,0]=3 743 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,1,0,0,0,0|3,0,0]=4 744 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,1,0,0,0,0|3,0,0]=4 745 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,1,0,0,0,0|3,0,0]=4 746 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,1,0,0,0,0|3,0,0]=4 747 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,1,0,0,0,0|2,0,0]=3 748 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,1,0,0,0,0|2,0,0]=3 749 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,1,0,0,0,0|3,0,0]=4 750 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,1,0,0,0,0|3,0,0]=4 751 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,1,0,0,0,0|2,0,0]=3 752 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,1,0,0,0,0|2,0,0]=3 753 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,1,0,0,0,0|3,0,0]=4 754 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,1,0,0,0,0|3,0,0]=4 755 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,1,0,0,0,0|3,0,0]=4 756 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,1,0,0,0,0|3,0,0]=4 757 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,1,0,0,0,0|3,0,0]=4 758 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,1,0,0,0,0|3,0,0]=4 759 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,1,0,0,0,0|3,0,0]=4 760 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,1,0,0,0,0|2,0,0]=3 761 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,1,0,0,0,0|3,0,0]=4 762 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,1,0,0,0,0|3,0,0]=4 763 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,1,0,0,0,0|2,0,0]=3 764 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,1,0,0,0,0|2,0,0]=3 765 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,1,0,0,0,0|3,0,0]=4 766 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,1,0,0,0,0|2,0,0]=3 767 B10R0.83 COC(=O)[C@H](N)COCC=O 34a_100000003586_200009817547 [0,1,0,0,0,0|1,0,2]=4 768 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,1,0,0,0,0|2,0,0]=3 769 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,1,0,0,0,0|1,0,0]=2 770 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,1,0,0,0,0|3,0,0]=4 771 B10R0.83 NNC(=O)C(N)COCCF 34a_100016989258_100011217306 [0,1,0,0,0,0|3,0,0]=4 772 B10R0.83 NNC(=O)C(N)COCCO 34a_100016989258_100000211926 [0,1,0,0,0,0|2,0,0]=3 773 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,1,0,0,0,0|3,0,0]=4 774 B10R0.86 C=C[C@H](NCCCF)C(=O)O 269956a_100016992060_100011934791 [0,1,0,0,0,0|3,0,0]=4 775 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [0,1,0,0,0,0|2,0,0]=3 776 B10R0.86 CCC(NCCCO)C(=O)N 2230a_100000733705_100000230001 [0,1,0,0,0,0|3,0,0]=4 777 B10R0.86 CCC(NCCCO)C(=O)N 34a_100000733705_100000230001 [0,1,0,0,0,0|3,0,0]=4 778 B10R0.86 CCC(SCCCO)C(=O)N 62a_100000750255_100011215043 [0,1,0,0,0,0|3,0,0]=4 779 B10R0.86 CCC(SCCCO)C(=O)N 62a_100011215043_100000750255 [0,1,0,0,0,0|3,0,0]=4 780 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,1,0,0,0,0|3,0,0]=4 781 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,1,0,0,0,0|3,0,0]=4 782 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,1,0,0,0,0|3,0,0]=4 783 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,1,0,0,0,0|3,0,0]=4 784 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [0,1,0,0,0,0|3,0,0]=4 785 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,1,0,0,0,0|3,0,0]=4 786 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,1,0,0,0,0|2,0,0]=3 787 B10R0.86 N#CC(NCCCO)C(=O)N 2230a_100000039599_100000230001 [0,1,0,0,0,0|2,0,1]=4 788 B10R0.86 NC(=O)[C@H](CO)NCCCO 2230a_100000729942_100000230001 [0,1,0,0,0,0|3,0,0]=4 789 B10R0.86 NC(=O)[C@H](CO)NCCCO 34a_100000729942_100000230001 [0,1,0,0,0,0|3,0,0]=4 790 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,1,0,0,0,0|3,0,0]=4 791 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,1,0,0,0,0|2,0,0]=3 792 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,1,0,0,0,0|3,0,0]=4 793 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,1,0,0,0,0|3,0,0]=4 794 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,1,0,0,0,0|3,0,0]=4 795 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,1,0,0,0,0|3,0,0]=4 796 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,1,0,0,0,0|3,0,0]=4 797 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,1,0,0,0,0|3,0,0]=4 798 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,1,0,0,0,0|3,0,0]=4 799 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,1,0,0,0,0|3,0,0]=4 800 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,1,0,0,0,0|3,0,0]=4 801 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,1,0,0,0,0|3,0,0]=4 802 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,1,0,0,0,0|3,0,0]=4 803 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,1,0,0,0,0|3,0,0]=4 804 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,1,0,0,0,0|3,0,0]=4 805 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,1,0,0,0,0|2,0,0]=3 806 B10R0.98 CC(O)CCNC(C)C(=O)N 2230a_200000755665_100000702099 [0,1,0,0,0,0|3,0,0]=4 807 B10R0.98 CC(O)CCNC(F)C(=O)N 2230a_200000755665_100009813875 [0,1,0,0,0,0|3,0,0]=4 808 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,1,0,0,0,0|2,0,0]=3 809 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 2230a_100000119354_100012276601 [0,1,0,0,0,0|3,0,0]=4 810 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 34a_100000119354_100012276601 [0,1,0,0,0,0|3,0,0]=4 811 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [0,1,0,0,0,0|2,0,1]=4 812 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [0,1,0,0,0,0|3,0,0]=4 813 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [0,1,0,0,0,0|3,0,0]=4 814 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [0,1,0,0,0,0|3,0,0]=4 815 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [0,1,0,0,0,0|3,0,0]=4 816 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100009813875_100012276601 [0,1,0,0,0,0|3,0,0]=4 817 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100012276601_100009813875 [0,1,0,0,0,0|3,0,0]=4 818 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100012276601_100020610796 [0,1,0,0,0,0|2,0,1]=4 819 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100020610796_100012276601 [0,1,0,0,0,0|2,0,1]=4 820 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,1,0,0,0,0|2,0,0]=3 821 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,1,0,0,0,0|2,0,0]=3 822 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,1,0,0,0,0|2,0,0]=3 823 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,1,0,0,0,0|2,0,0]=3 824 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,1,0,0,0,0|2,0,0]=3 825 B10R0.98 NC(=O)[C@@H](N)COCC(F)F 34a_100000729942_100011934356 [0,1,0,0,0,0|3,0,0]=4 826 B10R0.98 O=C(O)C(F)CNCC(F)F 269956a_100000084737_100011934356 [0,1,0,0,0,0|3,0,0]=4 827 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,0,0,1,0,0|3,0,0]=4 828 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,0,0,1,0,0|3,0,0]=4 829 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,1,0,0|3,0,0]=4 830 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,0,0,1,0,0|3,0,0]=4 831 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,0,0,1,0,0|3,0,0]=4 832 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,0,0,1,0,0|3,0,0]=4 833 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,0,0,1,0,0|3,0,0]=4 834 B10R1.93 NC(=O)C1CN(C1)CCO 34a_100025753142_100000211926 [0,0,0,1,0,0|3,0,0]=4 835 B10R1.93 O=C(O)[C@H]1C[C@H](C1)NCF 269956a_100000738708_100015361967 [0,0,0,1,0,0|3,0,0]=4 836 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,0|3,0,0]=4 837 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,0|2,0,0]=3 838 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,0,0,1,0,0|3,0,0]=4 839 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,0,0,1,0,0|3,0,0]=4 840 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,0|1,0,2]=4 841 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,0|3,0,0]=4 842 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,0|2,0,0]=3 843 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,0|1,0,2]=4 844 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,0,0,1,0,0|3,0,0]=4 845 B10R1.205 CC(=O)C(C)OCC1CO1 34a_100000212229_102125554688 [0,0,0,1,0,0|3,0,0]=4 846 B10R1.205 CC(=O)C(C)SCC1CO1 62a_100009814033_102125554688 [0,0,0,1,0,0|3,0,0]=4 847 B10R1.205 CC(=O)C(C)SCC1CO1 62a_102125554688_100009814033 [0,0,0,1,0,0|3,0,0]=4 848 B10R1.205 CC(=O)C(C)SC[C@@H]1CO1 62a_100000745022_100009814033 [0,0,0,1,0,0|3,0,0]=4 849 B10R1.205 CC(=O)C(C)SC[C@@H]1CO1 62a_100009814033_100000745022 [0,0,0,1,0,0|3,0,0]=4 850 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,0,0,1,0,0|3,0,0]=4 851 B10R1.205 CC(OC[C@@H]1CO1)C(=O)N 34a_100000757423_100000702099 [0,0,0,1,0,0|3,0,0]=4 852 B10R1.205 CC(SCC1CO1)C(=O)N 62a_100000702099_102125554688 [0,0,0,1,0,0|3,0,0]=4 853 B10R1.205 CC(SCC1CO1)C(=O)N 62a_102125554688_100000702099 [0,0,0,1,0,0|3,0,0]=4 854 B10R1.205 CC(SC[C@@H]1CO1)C(=O)N 62a_100000702099_100000745022 [0,0,0,1,0,0|3,0,0]=4 855 B10R1.205 CC(SC[C@@H]1CO1)C(=O)N 62a_100000745022_100000702099 [0,0,0,1,0,0|3,0,0]=4 856 B10R1.205 C[C@@H](NCC1CO1)C(=O)N 2230a_100000119354_100011216344 [0,0,0,1,0,0|3,0,0]=4 857 B10R1.205 C[C@@H](NCC1CO1)C(=O)N 34a_100000119354_102125554688 [0,0,0,1,0,0|3,0,0]=4 858 B10R1.205 C[C@@H](OCC1CO1)C(=O)N 34a_100000731257_102125554688 [0,0,0,1,0,0|3,0,0]=4 859 B10R1.205 C[C@@H](OCC1CO1)C(=O)N 7a_100000731257_102125554688 [0,0,0,1,0,0|3,0,0]=4 860 B10R1.205 C[C@@H](OC[C@@H]1CO1)C(=O)N 7a_100000731257_100000745022 [0,0,0,1,0,0|3,0,0]=4 861 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,0,0,1,0,0|3,0,0]=4 862 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,0,0,1,0,0|2,0,0]=3 863 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,0,0,1,0,0|2,1,0]=4 864 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,0,0,1,0,0|2,0,0]=3 865 B10R1.205 C[C@H](OCC1CO1)C(=O)[O-] 7a_217856618621_102125554688 [0,0,0,1,0,0|2,0,1]=4 866 B10R1.205 C[C@H](OC[C@@H]1CO1)C(=O)[O-] 7a_217856618621_100000745022 [0,0,0,1,0,0|2,0,1]=4 867 B10R1.205 NC(=O)C(F)OC[C@@H]1CO1 34a_100000757423_100009813875 [0,0,0,1,0,0|3,0,0]=4 868 B10R1.205 NC(=O)C(F)SCC1CO1 62a_100009813875_102125554688 [0,0,0,1,0,0|3,0,0]=4 869 B10R1.205 NC(=O)C(F)SCC1CO1 62a_102125554688_100009813875 [0,0,0,1,0,0|3,0,0]=4 870 B10R1.205 NC(=O)C(F)SC[C@@H]1CO1 62a_100000745022_100009813875 [0,0,0,1,0,0|3,0,0]=4 871 B10R1.205 NC(=O)C(F)SC[C@@H]1CO1 62a_100009813875_100000745022 [0,0,0,1,0,0|3,0,0]=4 872 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,0,0,1,0,0|3,0,0]=4 873 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,0,0,1,0,0|3,0,0]=4 874 B10R1.205 O=C([O-])C(F)OC[C@@H]1CO1 34a_100000757423_100020610796 [0,0,0,1,0,0|2,0,1]=4 875 B10R1.205 O=C([O-])C(F)SCC1CO1 62a_100020610796_102125554688 [0,0,0,1,0,0|2,0,1]=4 876 B10R1.205 O=C([O-])C(F)SCC1CO1 62a_102125554688_100020610796 [0,0,0,1,0,0|2,0,1]=4 877 B10R1.205 O=C([O-])C(F)SC[C@@H]1CO1 62a_100000745022_100020610796 [0,0,0,1,0,0|2,0,1]=4 878 B10R1.205 O=C([O-])C(F)SC[C@@H]1CO1 62a_100020610796_100000745022 [0,0,0,1,0,0|2,0,1]=4 879 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,0,0,1,0,0|3,0,0]=4 880 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,0,0,1,0,0|3,0,0]=4 881 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|3,0,0]=4 882 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|3,0,0]=4 883 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|3,0,0]=4 884 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,0,0,1,0,0|3,0,0]=4 885 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,0,0,1,0,0|3,0,0]=4 886 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,0,0,1,0,0|3,0,0]=4 887 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,0,0,1,0,0|3,0,0]=4 888 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,0,0,1,0,0|3,0,0]=4 889 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,0,0,1,0,0|3,0,0]=4 890 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,0,0,0,0,1|3,0,0]=4 891 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,0,0,0,0,1|3,0,0]=4 892 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,0,0,0,0,1|3,0,0]=4 893 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,0,0,0,0,1|3,0,0]=4 894 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,0,0,0,0,1|3,0,0]=4 895 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,0,0,0,0,1|3,0,0]=4 896 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,0,0,0,0,1|3,0,0]=4 897 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,0,0,0,0,1|3,0,0]=4 898 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,0,0,0,0,1|3,0,0]=4 899 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000717598_100000747473 [0,0,0,0,0,1|3,0,0]=4 900 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000739694_100000210776 [0,0,0,0,0,1|3,0,0]=4 901 B10R0.6 CN(CCCCO)CC(=O)N 269982a_100000717598_100000187820 [0,0,0,0,0,1|3,0,0]=4 902 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,0,0,0,0,1|2,0,0]=3 903 B10R0.6 CN(CCCCO)CC(=O)[O-] 269982a_100000717598_100020667443 [0,0,0,0,0,1|2,0,1]=4 904 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,0,0,0,0,1|2,0,1]=4 905 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,0,0,0,0,1|2,0,1]=4 906 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,0,0,0,0,1|3,0,0]=4 907 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,0,0,0,0,1|2,0,0]=3 908 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,0,0,0,0,1|1,0,2]=4 909 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [2,0,0,0,0,0|2,0,0]=4 910 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [2,0,0,0,0,0|2,0,0]=4 911 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [2,0,0,0,0,0|2,0,0]=4 912 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [2,0,0,0,0,0|2,0,0]=4 913 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [2,0,0,0,0,0|2,0,0]=4 914 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [2,0,0,0,0,0|2,0,0]=4 915 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [2,0,0,0,0,0|2,0,0]=4 916 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [2,0,0,0,0,0|2,0,0]=4 917 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [2,0,0,0,0,0|2,0,0]=4 918 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [2,0,0,0,0,0|2,0,0]=4 919 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|2,0,0]=4 920 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|2,0,0]=4 921 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|2,0,0]=4 922 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|2,0,0]=4 923 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|2,0,0]=4 924 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|2,0,0]=4 925 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|2,0,0]=4 926 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|2,0,0]=4 927 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|2,0,0]=4 928 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|2,0,0]=4 929 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|2,0,0]=4 930 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 931 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|2,0,0]=4 932 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 933 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|2,0,0]=4 934 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|2,0,0]=4 935 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|2,0,0]=4 936 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|2,0,0]=4 937 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|2,0,0]=4 938 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 939 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|2,0,0]=4 940 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [2,0,0,0,0,0|2,0,0]=4 941 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [2,0,0,0,0,0|2,0,0]=4 942 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [2,0,0,0,0,0|2,0,0]=4 943 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [2,0,0,0,0,0|2,0,0]=4 944 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [2,0,0,0,0,0|2,0,0]=4 945 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [2,0,0,0,0,0|2,0,0]=4 946 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [2,0,0,0,0,0|2,0,0]=4 947 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [2,0,0,0,0,0|2,0,0]=4 948 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [2,0,0,0,0,0|2,0,0]=4 949 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [2,0,0,0,0,0|2,0,0]=4 950 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|1,0,0]=3 951 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|1,0,0]=3 952 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [2,0,0,0,0,0|1,0,1]=4 953 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [2,0,0,0,0,0|1,0,1]=4 954 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [2,0,0,0,0,0|1,0,1]=4 955 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [2,0,0,0,0,0|1,0,1]=4 956 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 957 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 958 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|2,0,0]=4 959 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|2,0,0]=4 960 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 961 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|2,0,0]=4 962 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [2,0,0,0,0,0|2,0,0]=4 963 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|2,0,0]=4 964 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,0]=3 965 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,0]=3 966 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 967 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 968 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|2,0,0]=4 969 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|2,0,0]=4 970 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [2,0,0,0,0,0|2,0,0]=4 971 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [2,0,0,0,0,0|2,0,0]=4 972 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|2,0,0]=4 973 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|2,0,0]=4 974 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [2,0,0,0,0,0|2,0,0]=4 975 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [2,0,0,0,0,0|2,0,0]=4 976 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [2,0,0,0,0,0|2,0,0]=4 977 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [2,0,0,0,0,0|2,0,0]=4 978 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [2,0,0,0,0,0|2,0,0]=4 979 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [2,0,0,0,0,0|2,0,0]=4 980 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,0]=3 981 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,0]=3 982 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,0]=3 983 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 984 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 985 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 986 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|2,0,0]=4 987 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [2,0,0,0,0,0|2,0,0]=4 988 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|1,0,0]=3 989 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|2,0,0]=4 990 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|2,0,0]=4 991 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [2,0,0,0,0,0|2,0,0]=4 992 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|2,0,0]=4 993 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [2,0,0,0,0,0|1,0,1]=4 994 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|2,0,0]=4 995 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 996 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 997 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|2,0,0]=4 998 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|1,0,1]=4 999 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|1,0,1]=4 1000 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 1001 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [2,0,0,0,0,0|2,0,0]=4 1002 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|2,0,0]=4 1003 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|2,0,0]=4 1004 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|2,0,0]=4 1005 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|2,0,0]=4 1006 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 1007 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|2,0,0]=4 1008 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 1009 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|2,0,0]=4 1010 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|2,0,0]=4 1011 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|2,0,0]=4 1012 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|2,0,0]=4 1013 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|2,0,0]=4 1014 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|2,0,0]=4 1015 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|2,0,0]=4 1016 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|2,0,0]=4 1017 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|2,0,0]=4 1018 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|2,0,0]=4 1019 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 1020 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 1021 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 1022 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|2,0,0]=4 1023 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|2,0,0]=4 1024 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 1025 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|2,0,0]=4 1026 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 1027 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|2,0,0]=4 1028 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|2,0,0]=4 1029 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [2,0,0,0,0,0|2,0,0]=4 1030 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|2,0,0]=4 1031 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|2,0,0]=4 1032 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|2,0,0]=4 1033 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|2,0,0]=4 1034 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|2,0,0]=4 1035 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|2,0,0]=4 1036 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [2,0,0,0,0,0|2,0,0]=4 1037 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [2,0,0,0,0,0|1,0,1]=4 1038 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [2,0,0,0,0,0|2,0,0]=4 1039 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [2,0,0,0,0,0|2,0,0]=4 1040 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [2,0,0,0,0,0|2,0,0]=4 1041 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [2,0,0,0,0,0|2,0,0]=4 1042 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [2,0,0,0,0,0|1,0,1]=4 1043 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [2,0,0,0,0,0|1,0,1]=4 1044 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [2,0,0,0,0,0|1,0,1]=4 1045 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [2,0,0,0,0,0|1,0,1]=4 1046 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [2,0,0,0,0,0|1,0,1]=4 1047 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [2,0,0,0,0,0|2,0,0]=4 1048 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|1,0,0]=3 1049 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [2,0,0,0,0,0|1,0,1]=4 1050 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [2,0,0,0,0,0|1,0,1]=4 1051 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [2,0,0,0,0,0|1,0,1]=4 1052 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,0]=3 1053 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [2,0,0,0,0,0|2,0,0]=4 1054 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 1055 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|2,0,0]=4 1056 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|2,0,0]=4 1057 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [2,0,0,0,0,0|2,0,0]=4 1058 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|2,0,0]=4 1059 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|2,0,0]=4 1060 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|2,0,0]=4 1061 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|2,0,0]=4 1062 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|2,0,0]=4 1063 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|2,0,0]=4 1064 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|2,0,0]=4 1065 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|2,0,0]=4 1066 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 1067 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [2,0,0,0,0,0|2,0,0]=4 1068 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 1069 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [2,0,0,0,0,0|2,0,0]=4 1070 B9R0.1 C=C[C@H](N)COCC(C)O 34a_100016989147_100011218427 [1,1,0,0,0,0|2,0,0]=4 1071 B9R0.1 C=C[C@H](N)COC[C@@H](C)O 34a_100016989147_100009817552 [1,1,0,0,0,0|2,0,0]=4 1072 B9R0.5 C=CC[C@@H](N)COCCO 34a_100020615467_100000211926 [1,1,0,0,0,0|2,0,0]=4 1073 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [1,1,0,0,0,0|2,0,0]=4 1074 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [1,1,0,0,0,0|2,0,0]=4 1075 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [1,1,0,0,0,0|1,0,1]=4 1076 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [1,1,0,0,0,0|1,0,1]=4 1077 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [1,1,0,0,0,0|1,0,1]=4 1078 B9R0.24 C=C[C@H](N)COC(C)CO 34a_100016989147_100012180447 [1,1,0,0,0,0|2,0,0]=4 1079 B9R0.46 C=CC(C)COCCCO 34a_100011215527_100000230001 [1,1,0,0,0,0|2,0,0]=4 1080 B9R0.46 C=CC(C)COCCCO 7a_100011215527_100011215043 [1,1,0,0,0,0|2,0,0]=4 1081 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [1,1,0,0,0,0|2,0,0]=4 1082 B9R0.46 C=CC(C)SCCCCO 62a_100011215867_100000210776 [1,1,0,0,0,0|2,0,0]=4 1083 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [1,1,0,0,0,0|2,0,0]=4 1084 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [1,1,0,0,0,0|2,0,0]=4 1085 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|2,0,0]=4 1086 B9R0.46 C=C[C@H](N)COCCCF 34a_100016989147_100011934791 [1,1,0,0,0,0|2,0,0]=4 1087 B9R0.46 C=C[C@H](N)COCCCO 34a_100016989147_100000230001 [1,1,0,0,0,0|1,0,0]=3 1088 B9R0.46 C=C[C@H](N)COCCOC 34a_100016989147_100011201679 [1,1,0,0,0,0|2,0,0]=4 1089 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [1,1,0,0,0,0|1,0,1]=4 1090 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|1,0,1]=4 1091 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [1,1,0,0,0,0|1,0,1]=4 1092 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [1,1,0,0,0,0|1,0,1]=4 1093 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [1,1,0,0,0,0|1,0,1]=4 1094 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [1,1,0,0,0,0|1,0,1]=4 1095 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [1,1,0,0,0,0|1,0,1]=4 1096 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [1,1,0,0,0,0|1,0,1]=4 1097 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [1,1,0,0,0,0|1,0,1]=4 1098 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [1,1,0,0,0,0|1,0,1]=4 1099 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [1,1,0,0,0,0|1,0,1]=4 1100 B9R0.46 NC(=NO)CCOCCO 34a_100000749954_100000211926 [1,1,0,0,0,0|1,0,1]=4 1101 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [1,1,0,0,0,0|1,0,1]=4 1102 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [1,1,0,0,0,0|1,0,1]=4 1103 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [1,1,0,0,0,0|1,0,1]=4 1104 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [1,1,0,0,0,0|1,0,1]=4 1105 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [1,1,0,0,0,0|1,0,1]=4 1106 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [1,1,0,0,0,0|1,0,1]=4 1107 B9R0.50 O=CC(C=O)SCCCO 62a_100000736813_100011215043 [1,1,0,0,0,0|2,0,0]=4 1108 B9R0.50 O=CC(C=O)SCCCO 62a_100011215043_100000736813 [1,1,0,0,0,0|2,0,0]=4 1109 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,1,0,0,0,0|2,0,0]=4 1110 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1111 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1112 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [1,1,0,0,0,0|1,0,1]=4 1113 B9R0.2 C=C(Br)CCOCCCO 34a_100009813270_100000230001 [1,1,0,0,0,0|2,0,0]=4 1114 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [1,1,0,0,0,0|2,0,0]=4 1115 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [1,1,0,0,0,0|2,0,0]=4 1116 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [1,1,0,0,0,0|2,0,0]=4 1117 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [1,1,0,0,0,0|2,0,0]=4 1118 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [1,1,0,0,0,0|2,0,0]=4 1119 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,1,0,0,0,0|2,0,0]=4 1120 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [1,1,0,0,0,0|2,0,0]=4 1121 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [1,1,0,0,0,0|2,0,0]=4 1122 B9R0.2 C=C(F)CNCCCCO 2230a_100000750430_100009893438 [1,1,0,0,0,0|2,0,0]=4 1123 B9R0.2 C=C(F)CNCCCCO 34a_100000750430_100009893438 [1,1,0,0,0,0|2,0,0]=4 1124 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [1,1,0,0,0,0|2,0,0]=4 1125 B9R0.2 C=C(F)CSCCCCO 62a_100000042424_100000210776 [1,1,0,0,0,0|2,0,0]=4 1126 B9R0.2 C=C(F)CSCCCCO 62a_100000210776_100000042424 [1,1,0,0,0,0|2,0,0]=4 1127 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,1,0,0,0,0|2,0,0]=4 1128 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,1,0,0,0,0|2,0,0]=4 1129 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,1,0,0,0,0|2,0,0]=4 1130 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,1,0,0,0,0|1,0,1]=4 1131 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,1,0,0,0,0|2,0,0]=4 1132 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|2,0,0]=4 1133 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|1,0,0]=3 1134 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|1,0,0]=3 1135 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,1,0,0,0,0|2,0,0]=4 1136 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,1,0,0,0,0|2,0,0]=4 1137 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,1,0,0,0,0|2,0,0]=4 1138 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|1,0,0]=3 1139 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,1,0,0,0,0|2,0,0]=4 1140 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,1,0,0,0,0|2,0,0]=4 1141 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,1,0,0,0,0|2,0,0]=4 1142 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,1,0,0,0,0|2,0,0]=4 1143 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|1,0,0]=3 1144 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|1,0,0]=3 1145 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,1,0,0,0,0|2,0,0]=4 1146 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,1,0,0,0,0|2,0,0]=4 1147 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|1,0,0]=3 1148 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|1,0,0]=3 1149 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 1150 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,1,0,0,0,0|2,0,0]=4 1151 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|1,0,0]=3 1152 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|1,0,0]=3 1153 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,1,0,0,0,0|2,0,0]=4 1154 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,1,0,0,0,0|2,0,0]=4 1155 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|1,0,0]=3 1156 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|1,0,0]=3 1157 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,1,0,0,0,0|2,0,0]=4 1158 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|1,0,0]=3 1159 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,1,0,0,0,0|1,0,0]=3 1160 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,1,0,0,0,0|2,0,0]=4 1161 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,1,0,0,0,0|2,0,0]=4 1162 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,1,0,0,0,0|2,0,0]=4 1163 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,1,0,0,0,0|2,0,0]=4 1164 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,1,0,0,0,0|2,0,0]=4 1165 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,1,0,0,0,0|2,0,0]=4 1166 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,1,0,0,0,0|2,0,0]=4 1167 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,1,0,0,0,0|2,0,0]=4 1168 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,1,0,0,0,0|2,0,0]=4 1169 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,1,0,0,0,0|2,0,0]=4 1170 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,1,0,0,0,0|2,0,0]=4 1171 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,1,0,0,0,0|2,0,0]=4 1172 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,1,0,0,0,0|2,0,0]=4 1173 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,1,0,0,0,0|2,0,0]=4 1174 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,1,0,0,0,0|2,0,0]=4 1175 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,1,0,0,0,0|1,0,1]=4 1176 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,1,0,0,0,0|1,0,1]=4 1177 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,1,0,0,0,0|1,0,1]=4 1178 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,1,0,0,0,0|1,0,1]=4 1179 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,1,0,0,0,0|1,0,1]=4 1180 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,1,0,0,0,0|1,0,1]=4 1181 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,1,0,0,0,0|1,0,1]=4 1182 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,1,0,0,0,0|1,0,1]=4 1183 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 1184 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|1,0,1]=4 1185 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 1186 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,1,0,0,0,0|1,0,1]=4 1187 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,1,0,0,0,0|1,0,1]=4 1188 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|2,0,0]=4 1189 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|2,0,0]=4 1190 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|2,0,0]=4 1191 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|2,0,0]=4 1192 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|2,0,0]=4 1193 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|2,0,0]=4 1194 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|2,0,0]=4 1195 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,1,0,0,0,0|2,0,0]=4 1196 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,1,0,0,0,0|2,0,0]=4 1197 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,0]=3 1198 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,1,0,0,0,0|2,0,0]=4 1199 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,1,0,0,0,0|2,0,0]=4 1200 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,1,0,0,0,0|2,0,0]=4 1201 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,1,0,0,0,0|1,0,1]=4 1202 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,1,0,0,0,0|2,0,0]=4 1203 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,1,0,0,0,0|2,0,0]=4 1204 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,1,0,0,0,0|1,0,1]=4 1205 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,1,0,0,0,0|1,0,1]=4 1206 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,1,0,0,0,0|2,0,0]=4 1207 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,1,0,0,0,0|2,0,0]=4 1208 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,1,0,0,0,0|2,0,0]=4 1209 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,1,0,0,0,0|2,0,0]=4 1210 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,1,0,0,0,0|2,0,0]=4 1211 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,1,0,0,0,0|2,0,0]=4 1212 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,1,0,0,0,0|2,0,0]=4 1213 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,1,0,0,0,0|2,0,0]=4 1214 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,1,0,0,0,0|2,0,0]=4 1215 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,1,0,0,0,0|2,0,0]=4 1216 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,1,0,0,0,0|2,0,0]=4 1217 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,1,0,0,0,0|2,0,0]=4 1218 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,1,0,0,0,0|2,0,0]=4 1219 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,1,0,0,0,0|2,0,0]=4 1220 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,1,0,0,0,0|2,0,0]=4 1221 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,1,0,0,0,0|2,0,0]=4 1222 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,1,0,0,0,0|2,0,0]=4 1223 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,1,0,0,0,0|2,0,0]=4 1224 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,1,0,0,0,0|2,0,0]=4 1225 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,1,0,0,0,0|2,0,0]=4 1226 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,1,0,0,0,0|2,0,0]=4 1227 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,1,0,0,0,0|2,0,0]=4 1228 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,1,0,0,0,0|2,0,0]=4 1229 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,1,0,0,0,0|2,0,0]=4 1230 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,1,0,0,0,0|2,0,0]=4 1231 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,1,0,0,0,0|2,0,0]=4 1232 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,1,0,0,0,0|2,0,0]=4 1233 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|2,0,0]=4 1234 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,1,0,0,0,0|2,0,0]=4 1235 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,1,0,0,0,0|2,0,0]=4 1236 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,1,0,0,0,0|2,0,0]=4 1237 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,1,0,0,0,0|2,0,0]=4 1238 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,1,0,0,0,0|2,0,0]=4 1239 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,1,0,0,0,0|2,0,0]=4 1240 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,1,0,0,0,0|2,0,0]=4 1241 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,1,0,0,0,0|2,0,0]=4 1242 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,1,0,0,0,0|2,0,0]=4 1243 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [1,1,0,0,0,0|1,0,1]=4 1244 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|1,0,0]=3 1245 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,1,0,0,0,0|1,0,0]=3 1246 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,1,0,0,0,0|1,0,0]=3 1247 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,1,0,0,0,0|1,0,0]=3 1248 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|1,0,0]=3 1249 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,1,0,0,0,0|0,0,1]=3 1250 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,1,0,0,0,0|2,0,0]=4 1251 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,1,0,0,0,0|2,0,0]=4 1252 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,1,0,0,0,0|2,0,0]=4 1253 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,1,0,0,0,0|2,0,0]=4 1254 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,1,0,0,0,0|2,0,0]=4 1255 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,1,0,0,0,0|2,0,0]=4 1256 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,1,0,0,0,0|1,0,0]=3 1257 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,1,0,0,0,0|1,0,1]=4 1258 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,1,0,0,0,0|2,0,0]=4 1259 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,1,0,0,0,0|2,0,0]=4 1260 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,1,0,0,0,0|1,0,1]=4 1261 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,1,0,0,0,0|2,0,0]=4 1262 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,1,0,0,0,0|2,0,0]=4 1263 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,1,0,0,0,0|1,0,1]=4 1264 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,1,0,0,0,0|1,0,1]=4 1265 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,1,0,0,0,0|2,0,0]=4 1266 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [1,1,0,0,0,0|2,0,0]=4 1267 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,1,0,0,0,0|2,0,0]=4 1268 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,1,0,0,0,0|2,0,0]=4 1269 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,1,0,0,0,0|2,0,0]=4 1270 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,1,0,0,0,0|2,0,0]=4 1271 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,1,0,0,0,0|2,0,0]=4 1272 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,1,0,0,0,0|2,0,0]=4 1273 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,1,0,0,0,0|2,0,0]=4 1274 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,1,0,0,0,0|2,0,0]=4 1275 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,1,0,0,0,0|2,0,0]=4 1276 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,1,0,0,0,0|2,0,0]=4 1277 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,1,0,0,0,0|2,0,0]=4 1278 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,1,0,0,0,0|2,0,0]=4 1279 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,1,0,0,0,0|2,0,0]=4 1280 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,1,0,0,0,0|2,0,0]=4 1281 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,1,0,0,0,0|2,0,0]=4 1282 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,1,0,0,0,0|2,0,0]=4 1283 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [1,1,0,0,0,0|2,0,0]=4 1284 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,1,0,0,0,0|1,1,0]=4 1285 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,1,0,0,0,0|1,1,0]=4 1286 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 1287 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 1288 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,1,0,0,0,0|1,0,1]=4 1289 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,1,0,0,0,0|1,0,1]=4 1290 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [1,1,0,0,0,0|1,0,1]=4 1291 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,1,0,0,0,0|2,0,0]=4 1292 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 1293 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 1294 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,1,0,0,0,0|2,0,0]=4 1295 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,1,0,0,0,0|2,0,0]=4 1296 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,1,0,0,0,0|1,0,0]=3 1297 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,1,0,0,0,0|1,0,0]=3 1298 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,1,0,0,0,0|2,0,0]=4 1299 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,1,0,0,0,0|2,0,0]=4 1300 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,1,0,0,0,0|2,0,0]=4 1301 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,1,0,0,0,0|1,0,0]=3 1302 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,1,0,0,0,0|1,0,0]=3 1303 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [1,1,0,0,0,0|2,0,0]=4 1304 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [1,1,0,0,0,0|2,0,0]=4 1305 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [1,1,0,0,0,0|2,0,0]=4 1306 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [1,1,0,0,0,0|2,0,0]=4 1307 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [1,1,0,0,0,0|2,0,0]=4 1308 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [1,1,0,0,0,0|2,0,0]=4 1309 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [1,1,0,0,0,0|2,0,0]=4 1310 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,1,0,0,0,0|1,0,0]=3 1311 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,1,0,0,0,0|1,0,0]=3 1312 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,1,0,0,0,0|2,0,0]=4 1313 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,1,0,0,0,0|2,0,0]=4 1314 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,1,0,0,0,0|1,0,0]=3 1315 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,1,0,0,0,0|1,0,0]=3 1316 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,1,0,0,0,0|2,0,0]=4 1317 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,1,0,0,0,0|1,0,0]=3 1318 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,1,0,0,0,0|1,0,0]=3 1319 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,1,0,0,0,0|1,0,0]=3 1320 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [1,1,0,0,0,0|2,0,0]=4 1321 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [1,1,0,0,0,0|2,0,0]=4 1322 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [1,1,0,0,0,0|2,0,0]=4 1323 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [1,1,0,0,0,0|2,0,0]=4 1324 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [1,1,0,0,0,0|2,0,0]=4 1325 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [1,1,0,0,0,0|2,0,0]=4 1326 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [1,1,0,0,0,0|2,0,0]=4 1327 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [1,1,0,0,0,0|2,0,0]=4 1328 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,1,0,0,0,0|1,0,0]=3 1329 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,1,0,0,0,0|1,0,0]=3 1330 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [1,1,0,0,0,0|2,0,0]=4 1331 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [1,1,0,0,0,0|2,0,0]=4 1332 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [1,1,0,0,0,0|2,0,0]=4 1333 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [1,1,0,0,0,0|2,0,0]=4 1334 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [1,1,0,0,0,0|2,0,0]=4 1335 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [1,1,0,0,0,0|2,0,0]=4 1336 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [1,1,0,0,0,0|2,0,0]=4 1337 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [1,1,0,0,0,0|2,0,0]=4 1338 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [1,1,0,0,0,0|2,0,0]=4 1339 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,1,0,0,0,0|2,0,0]=4 1340 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,1,0,0,0,0|1,0,1]=4 1341 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,1,0,0,0,0|2,0,0]=4 1342 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,1,0,0,0,0|2,0,0]=4 1343 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [1,1,0,0,0,0|2,0,0]=4 1344 B9R0.2 O=C(O)CNCC#CCO 269956a_100016091260_200000047223 [1,1,0,0,0,0|0,0,2]=4 1345 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,1,0,0,0,0|1,0,0]=3 1346 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,1,0,0,0,0|0,0,0]=2 1347 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [1,1,0,0,0,0|2,0,0]=4 1348 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [1,1,0,0,0,0|2,0,0]=4 1349 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,1,0,0,0,0|1,0,0]=3 1350 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,1,0,0,0,0|0,0,1]=3 1351 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [1,1,0,0,0,0|1,0,1]=4 1352 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [1,1,0,0,0,0|1,0,1]=4 1353 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [1,1,0,0,0,0|1,0,1]=4 1354 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [1,1,0,0,0,0|1,0,1]=4 1355 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [1,1,0,0,0,0|1,0,1]=4 1356 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [1,1,0,0,0,0|1,0,1]=4 1357 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,1,0,0,0,0|0,0,1]=3 1358 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,1,0,0,0,0|0,0,1]=3 1359 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,1,0,0,0,0|0,0,2]=4 1360 B9R0.2 O=[N+]([O-])CCCOCCO 34a_200000037920_100000211926 [1,1,0,0,0,0|1,0,1]=4 1361 B9R0.2 O=[N+]([O-])CNCCCCO 34a_100000750430_100000761209 [1,1,0,0,0,0|1,0,1]=4 1362 B9R0.2 O=[N+]([O-])CSCCCCO 62a_100000210776_100000761209 [1,1,0,0,0,0|1,0,1]=4 1363 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|1,0,0]=3 1364 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,1,0,0,0,0|1,0,0]=3 1365 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,1,0,0,0,0|1,0,0]=3 1366 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,1,0,0,0,0|0,0,1]=3 1367 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,1,0,0,0,0|1,1,0]=4 1368 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,1,0,0,0,0|1,1,0]=4 1369 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [1,1,0,0,0,0|2,0,0]=4 1370 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,1,0,0,0,0|2,0,0]=4 1371 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [1,1,0,0,0,0|2,0,0]=4 1372 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [1,1,0,0,0,0|2,0,0]=4 1373 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [1,1,0,0,0,0|2,0,0]=4 1374 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [1,1,0,0,0,0|2,0,0]=4 1375 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,1,0,0,0,0|1,0,0]=3 1376 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [1,1,0,0,0,0|1,0,1]=4 1377 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [1,1,0,0,0,0|1,0,1]=4 1378 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [1,1,0,0,0,0|2,0,0]=4 1379 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [1,1,0,0,0,0|2,0,0]=4 1380 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [1,1,0,0,0,0|2,0,0]=4 1381 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [1,1,0,0,0,0|2,0,0]=4 1382 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [1,1,0,0,0,0|1,0,0]=3 1383 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [1,1,0,0,0,0|2,0,0]=4 1384 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [1,1,0,0,0,0|2,0,0]=4 1385 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [1,1,0,0,0,0|1,0,1]=4 1386 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [1,1,0,0,0,0|1,0,1]=4 1387 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [1,1,0,0,0,0|2,0,0]=4 1388 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [1,1,0,0,0,0|2,0,0]=4 1389 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [1,1,0,0,0,0|2,0,0]=4 1390 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [1,1,0,0,0,0|2,0,0]=4 1391 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [1,1,0,0,0,0|2,0,0]=4 1392 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [1,1,0,0,0,0|2,0,0]=4 1393 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [1,1,0,0,0,0|1,0,1]=4 1394 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [1,1,0,0,0,0|1,0,1]=4 1395 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [1,1,0,0,0,0|2,0,0]=4 1396 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|2,0,0]=4 1397 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|2,0,0]=4 1398 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|2,0,0]=4 1399 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|2,0,0]=4 1400 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|2,0,0]=4 1401 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|2,0,0]=4 1402 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|2,0,0]=4 1403 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|2,0,0]=4 1404 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|2,0,0]=4 1405 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|2,0,0]=4 1406 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [1,1,0,0,0,0|2,0,0]=4 1407 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|2,0,0]=4 1408 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,1,0,0,0,0|2,0,0]=4 1409 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [1,1,0,0,0,0|2,0,0]=4 1410 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [1,1,0,0,0,0|2,0,0]=4 1411 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,1,0,0,0,0|1,0,0]=3 1412 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [1,1,0,0,0,0|2,0,0]=4 1413 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [1,1,0,0,0,0|2,0,0]=4 1414 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [1,1,0,0,0,0|1,0,1]=4 1415 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [1,1,0,0,0,0|1,0,1]=4 1416 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [1,1,0,0,0,0|2,0,0]=4 1417 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [1,1,0,0,0,0|2,0,0]=4 1418 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [1,1,0,0,0,0|2,0,0]=4 1419 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [1,1,0,0,0,0|2,0,0]=4 1420 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [1,1,0,0,0,0|2,0,0]=4 1421 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [1,1,0,0,0,0|2,0,0]=4 1422 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [1,1,0,0,0,0|2,0,0]=4 1423 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [1,1,0,0,0,0|2,0,0]=4 1424 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [1,1,0,0,0,0|2,0,0]=4 1425 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [1,1,0,0,0,0|2,0,0]=4 1426 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [1,1,0,0,0,0|2,0,0]=4 1427 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [1,1,0,0,0,0|2,0,0]=4 1428 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [1,1,0,0,0,0|2,0,0]=4 1429 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1430 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1431 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [1,1,0,0,0,0|2,0,0]=4 1432 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [1,1,0,0,0,0|2,0,0]=4 1433 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,1,0,0,0,0|2,0,0]=4 1434 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [1,1,0,0,0,0|2,0,0]=4 1435 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [1,1,0,0,0,0|2,0,0]=4 1436 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [1,1,0,0,0,0|2,0,0]=4 1437 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [1,1,0,0,0,0|2,0,0]=4 1438 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [1,1,0,0,0,0|2,0,0]=4 1439 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [1,1,0,0,0,0|2,0,0]=4 1440 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [1,1,0,0,0,0|2,0,0]=4 1441 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [1,1,0,0,0,0|2,0,0]=4 1442 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,1,0,0,0,0|2,0,0]=4 1443 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,1,0,0,0,0|2,0,0]=4 1444 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,1,0,0,0,0|2,0,0]=4 1445 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,1,0,0,0,0|1,0,0]=3 1446 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,1,0,0,0,0|1,0,0]=3 1447 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,1,0,0,0,0|1,0,0]=3 1448 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [1,1,0,0,0,0|2,0,0]=4 1449 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [1,1,0,0,0,0|2,0,0]=4 1450 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [1,1,0,0,0,0|2,0,0]=4 1451 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [1,1,0,0,0,0|2,0,0]=4 1452 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [1,1,0,0,0,0|2,0,0]=4 1453 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,1,0,0,0,0|1,0,0]=3 1454 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,1,0,0,0,0|1,0,0]=3 1455 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,1,0,0,0,0|1,0,0]=3 1456 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,1,0,0,0,0|1,0,0]=3 1457 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,1,0,0,0,0|2,0,0]=4 1458 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,1,0,0,0,0|2,0,0]=4 1459 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,1,0,0,0,0|2,0,0]=4 1460 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [1,1,0,0,0,0|2,0,0]=4 1461 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [1,1,0,0,0,0|2,0,0]=4 1462 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|1,0,0]=3 1463 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|1,0,0]=3 1464 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [1,1,0,0,0,0|2,0,0]=4 1465 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [1,1,0,0,0,0|2,0,0]=4 1466 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|1,0,0]=3 1467 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|1,0,0]=3 1468 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [1,1,0,0,0,0|2,0,0]=4 1469 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [1,1,0,0,0,0|2,0,0]=4 1470 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [1,1,0,0,0,0|2,0,0]=4 1471 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [1,1,0,0,0,0|2,0,0]=4 1472 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [1,1,0,0,0,0|2,0,0]=4 1473 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [1,1,0,0,0,0|2,0,0]=4 1474 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [1,1,0,0,0,0|2,0,0]=4 1475 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [1,1,0,0,0,0|2,0,0]=4 1476 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [1,1,0,0,0,0|2,0,0]=4 1477 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [1,1,0,0,0,0|2,0,0]=4 1478 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [1,1,0,0,0,0|2,0,0]=4 1479 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100000210776_100009818208 [0,1,0,0,0,1|2,0,0]=4 1480 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100009818208_100000210776 [0,1,0,0,0,1|2,0,0]=4 1481 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,1,0,0,0,1|2,0,0]=4 1482 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [0,1,0,0,0,1|2,0,0]=4 1483 B11R0.2 CN(CCOCCO)CC(=O)O 269956a_100000746989_100011215305 [0,1,0,0,0,1|2,0,0]=4 1484 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [0,1,0,0,0,1|2,0,0]=4 1485 B11R0.2 COCCNCC(O)CC(=O)O 269956a_100011218706_100000233755 [0,1,0,0,0,1|2,0,0]=4 1486 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [0,1,0,0,0,1|2,0,0]=4 1487 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [0,1,0,0,0,1|1,0,0]=3 1488 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,1,0,0,0,1|2,0,0]=4 1489 B11R0.6 CC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218427 [0,1,0,0,0,1|2,0,0]=4 1490 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 269956a_100011218706_100009817552 [0,1,0,0,0,1|2,0,0]=4 1491 B11R0.77 CCN(CCCCO)CC(=O)O 269956a_100000746405_100000210776 [0,1,0,0,0,1|2,0,0]=4 1492 B11R0.77 CC[C@H](CC(=O)O)NCCCO 269956a_100016995926_100011215043 [0,1,0,0,0,1|2,0,0]=4 1493 B11R0.77 O=C(O)C[C@@H](CO)NCCCO 269956a_100009816507_100011215043 [0,1,0,0,0,1|2,0,0]=4 1494 B11R0.107 C[C@H](CO)NCC(O)CC(=O)O 269956a_100011218706_100016084084 [0,1,0,0,0,1|2,0,0]=4 1495 B11R0.139 CC(C(=O)O)N(C)CCCCO 269956a_100000749554_100000210776 [0,1,0,0,0,1|2,0,0]=4 1496 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,1,0,0,0,1|2,0,0]=4 1497 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,1,0,0,0,1|2,0,0]=4 1498 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [0,1,0,0,0,1|1,0,1]=4 1499 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [0,1,0,0,0,1|1,0,1]=4 1500 B11R0.154 COC(=O)CC(C)SCCCO 62a_100009817358_100011215043 [0,1,0,0,0,1|2,0,0]=4 1501 B11R0.154 COC(=O)CC(C)SCCCO 62a_100011215043_100009817358 [0,1,0,0,0,1|2,0,0]=4 1502 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [0,1,0,0,0,1|2,0,0]=4 1503 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [0,1,0,0,0,1|2,0,0]=4 1504 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [0,1,0,0,0,1|2,0,0]=4 1505 B11R0.154 COC(=O)C[C@@H](O)CNCCO 34a_100016990907_100000754131 [0,1,0,0,0,1|2,0,0]=4 1506 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000211926_100000754131 [0,1,0,0,0,1|2,0,0]=4 1507 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000754131_100000211926 [0,1,0,0,0,1|2,0,0]=4 1508 B11R0.324 CC(C)(CC(=O)O)NCCCO 269956a_100000755897_100011215043 [0,1,0,0,0,1|2,0,0]=4 1509 B11R0.55 C=C[C@H](NC(C)CCO)C(=O)O 269956a_100016992060_100009893172 [0,2,0,0,0,0|2,0,0]=4 1510 B11R0.55 CC(CCO)NC(CO)C(=O)O 269956a_100000187304_100009893172 [0,2,0,0,0,0|2,0,0]=4 1511 B11R0.55 CC[C@@H](NC(C)CCO)C(=O)O 269956a_100000747097_100009893172 [0,2,0,0,0,0|2,0,0]=4 1512 B11R0.58 CC(CCO)N(C)C(C)C(=O)O 269956a_100000749554_100009893172 [0,2,0,0,0,0|2,0,0]=4 1513 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [0,2,0,0,0,0|2,0,0]=4 1514 B11R0.187 COC(=O)C(C)CN(C)CCO 269982a_100000210263_100000698445 [0,2,0,0,0,0|2,0,0]=4 1515 B11R0.187 COC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100000211248 [0,2,0,0,0,0|2,0,0]=4 1516 B11R0.187 COC(=O)C(C)N[C@H](C)CCO 34a_100000706166_100000211248 [0,2,0,0,0,0|2,0,0]=4 1517 B11R0.187 COC(=O)C(C)OC(C)CCO 34a_100011215400_100009893172 [0,2,0,0,0,0|2,0,0]=4 1518 B11R0.187 COC(=O)C(C)SC(C)CCO 62a_100000211248_100009893172 [0,2,0,0,0,0|2,0,0]=4 1519 B11R0.187 COC(=O)C(C)SC(C)CCO 62a_100009893172_100000211248 [0,2,0,0,0,0|2,0,0]=4 1520 B11R0.125 CC(=O)C(C)(C)OCCCCO 34a_100000747739_100011216708 [0,2,0,0,0,0|2,0,0]=4 1521 B11R0.125 CC(=O)C(C)(C)OCCCCO 7a_100000747739_100000210776 [0,2,0,0,0,0|2,0,0]=4 1522 B11R0.125 CC(=O)C(C)(C)SCCCCO 62a_100000075568_100000210776 [0,2,0,0,0,0|2,0,0]=4 1523 B11R0.125 CC(=O)C(C)(C)SCCCCO 62a_100000210776_100000075568 [0,2,0,0,0,0|2,0,0]=4 1524 B11R0.125 CC(C)(CNCCCF)C(=O)O 269956a_100000693527_100011934791 [0,2,0,0,0,0|2,0,0]=4 1525 B11R0.125 CC(C)(CNCCCO)C(=O)N 2230a_100000740840_100000230001 [0,2,0,0,0,0|2,0,0]=4 1526 B11R0.125 CC(C)(CNCCCO)C(=O)N 34a_100000740840_100000230001 [0,2,0,0,0,0|2,0,0]=4 1527 B11R0.125 CC(C)(CNCCCO)C(=O)O 269956a_100000693527_100011215043 [0,2,0,0,0,0|1,0,0]=3 1528 B11R0.125 CC(C)(CSCCCO)C(=O)N 62a_100011215043_200009895572 [0,2,0,0,0,0|2,0,0]=4 1529 B11R0.125 CC(C)(CSCCCO)C(=O)N 62a_200009895572_100011215043 [0,2,0,0,0,0|2,0,0]=4 1530 B11R0.125 CC(C)(NCCCCO)C(=O)N 2230a_100000743658_100000210776 [0,2,0,0,0,0|2,0,0]=4 1531 B11R0.125 CC(C)(NCCCCO)C(=O)N 2230a_100000750430_100000702505 [0,2,0,0,0,0|2,0,0]=4 1532 B11R0.125 CC(C)(NCCCCO)C(=O)N 34a_100000743658_100011216708 [0,2,0,0,0,0|2,0,0]=4 1533 B11R0.125 CC(C)(NCCCCO)C(=O)N 34a_100000750430_100000702505 [0,2,0,0,0,0|2,0,0]=4 1534 B11R0.125 CC(C)(OCCCCO)C(=O)N 34a_100011626353_100011216708 [0,2,0,0,0,0|2,0,0]=4 1535 B11R0.125 CC(C)(OCCCCO)C(=O)N 7a_100011626353_100000210776 [0,2,0,0,0,0|2,0,0]=4 1536 B11R0.125 CC(C)(ONCCCO)C(=O)O 269956a_100016989451_100011215043 [0,2,0,0,0,0|2,0,0]=4 1537 B11R0.125 CC(C)(SCCCCO)C(=O)N 62a_100000210776_100000702505 [0,2,0,0,0,0|2,0,0]=4 1538 B11R0.125 CC(C)(SCCCCO)C(=O)N 62a_100000702505_100000210776 [0,2,0,0,0,0|2,0,0]=4 1539 B11R0.125 CCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210211 [0,2,0,0,0,0|2,0,0]=4 1540 B11R0.125 CCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210211 [0,2,0,0,0,0|2,0,0]=4 1541 B11R0.125 COCCNCC(C)(C)C(=O)O 269956a_100000693527_100000233755 [0,2,0,0,0,0|2,0,0]=4 1542 B11R0.125 COCCNCC(F)(F)C(=O)O 269956a_100000734215_100000233755 [0,2,0,0,0,0|2,0,0]=4 1543 B11R0.125 NC(=O)C(F)(F)SCCCCO 62a_100000210776_100009811971 [0,2,0,0,0,0|2,0,0]=4 1544 B11R0.125 NC(=O)C(F)(F)SCCCCO 62a_100009811971_100000210776 [0,2,0,0,0,0|2,0,0]=4 1545 B11R0.125 O=C(O)C(F)(F)CNCCCF 269956a_100000734215_100011934791 [0,2,0,0,0,0|2,0,0]=4 1546 B11R0.125 O=C(O)C(F)(F)CNCCCO 269956a_100000734215_100011215043 [0,2,0,0,0,0|1,0,0]=3 1547 B11R0.125 O=C([O-])C(F)(F)NCCCCO 34a_100000750430_100020612412 [0,2,0,0,0,0|1,0,1]=4 1548 B11R0.125 O=C([O-])C(F)(F)SCCCCO 62a_100000210776_100000745680 [0,2,0,0,0,0|1,0,1]=4 1549 B11R0.125 O=C([O-])C(F)(F)SCCCCO 62a_100000745680_100000210776 [0,2,0,0,0,0|1,0,1]=4 1550 B11R0.201 C[C@H](CO)NCC(C)(C)C(=O)O 269956a_100000693527_100016084084 [0,2,0,0,0,0|2,0,0]=4 1551 B11R0.201 C[C@H](CO)NCC(F)(F)C(=O)O 269956a_100000734215_100016084084 [0,2,0,0,0,0|2,0,0]=4 1552 B11R0.202 CC(O)CNCC(C)(C)C(=O)O 269956a_100000693527_100011218427 [0,2,0,0,0,0|2,0,0]=4 1553 B11R0.202 CC(O)CNCC(F)(F)C(=O)O 269956a_100000734215_100011218427 [0,2,0,0,0,0|2,0,0]=4 1554 B11R0.202 C[C@@H](O)CNCC(C)(C)C(=O)O 269956a_100000693527_100009817552 [0,2,0,0,0,0|2,0,0]=4 1555 B11R0.202 C[C@@H](O)CNCC(F)(F)C(=O)O 269956a_100000734215_100009817552 [0,2,0,0,0,0|2,0,0]=4 1556 B11R0.326 COC(=O)C(C)(C)COCCO 34a_100000709632_100000211926 [0,2,0,0,0,0|2,0,0]=4 1557 B11R0.326 COC(=O)C(C)(C)COCCO 7a_100000709632_100000211926 [0,2,0,0,0,0|2,0,0]=4 1558 B11R0.326 COC(=O)C(C)(C)CSCCO 62a_100000211926_100000684552 [0,2,0,0,0,0|2,0,0]=4 1559 B11R0.326 COC(=O)C(C)(C)CSCCO 62a_100000684552_100000211926 [0,2,0,0,0,0|2,0,0]=4 1560 B11R0.326 COC(=O)C(C)(C)OCCCO 34a_100011217581_100000230001 [0,2,0,0,0,0|2,0,0]=4 1561 B11R0.326 COC(=O)C(C)(C)OCCCO 7a_100011217581_100011215043 [0,2,0,0,0,0|2,0,0]=4 1562 B11R0.326 COC(=O)C(C)(C)SCCCO 62a_100000689032_100011215043 [0,2,0,0,0,0|2,0,0]=4 1563 B11R0.326 COC(=O)C(C)(C)SCCCO 62a_100011215043_100000689032 [0,2,0,0,0,0|2,0,0]=4 1564 B11R0.326 COC(=O)C(C)(F)SCCCO 62a_100011215043_200009867631 [0,2,0,0,0,0|2,0,0]=4 1565 B11R0.326 COC(=O)C(C)(F)SCCCO 62a_200009867631_100011215043 [0,2,0,0,0,0|2,0,0]=4 1566 B11R0.326 COC(=O)C(F)(F)CNCCO 34a_100016990907_100010295740 [0,2,0,0,0,0|2,0,0]=4 1567 B11R0.326 COC(=O)C(F)(F)CSCCO 62a_100000211926_100010295740 [0,2,0,0,0,0|2,0,0]=4 1568 B11R0.326 COC(=O)C(F)(F)CSCCO 62a_100010295740_100000211926 [0,2,0,0,0,0|2,0,0]=4 1569 B11R0.326 COC(=O)C(F)(F)SCCCO 62a_100000211177_100011215043 [0,2,0,0,0,0|2,0,0]=4 1570 B11R0.326 COC(=O)C(F)(F)SCCCO 62a_100011215043_100000211177 [0,2,0,0,0,0|2,0,0]=4 1571 B11R0.329 CCC(C)(NCCCO)C(=O)O 269956a_100025756313_100011215043 [0,2,0,0,0,0|2,0,0]=4 1572 B11R0.29 CC(=O)C(C)COCCC(C)O 34a_100000032740_100012276601 [0,2,0,0,0,0|2,0,0]=4 1573 B11R0.29 CC(=O)C(C)COCCC(C)O 7a_100000032740_100012276601 [0,2,0,0,0,0|2,0,0]=4 1574 B11R0.29 CC(=O)C(C)OCCCC(C)O 34a_100000212229_200000718107 [0,2,0,0,0,0|2,0,0]=4 1575 B11R0.29 CC(=O)C(C)SCCCC(C)O 62a_100009814033_200000718107 [0,2,0,0,0,0|2,0,0]=4 1576 B11R0.29 CC(=O)C(C)SCCCC(C)O 62a_200000718107_100009814033 [0,2,0,0,0,0|2,0,0]=4 1577 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011214892 [0,2,0,0,0,0|2,0,0]=4 1578 B11R0.29 CC(C)CCNCC(C)C(=O)O 269956a_100000749485_100000210312 [0,2,0,0,0,0|2,0,0]=4 1579 B11R0.29 CC(C)CCNCC(F)C(=O)O 269956a_100000084737_100000210312 [0,2,0,0,0,0|2,0,0]=4 1580 B11R0.29 CC(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000210312 [0,2,0,0,0,0|2,0,0]=4 1581 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,2,0,0,0,0|1,0,0]=3 1582 B11R0.29 CC(O)CCCN[C@H](C)C(=O)N 2230a_100000119354_200000718107 [0,2,0,0,0,0|2,0,0]=4 1583 B11R0.29 CC(O)CCCN[C@H](C)C(=O)N 34a_100000119354_200000718107 [0,2,0,0,0,0|2,0,0]=4 1584 B11R0.29 CC(O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_200000718107 [0,2,0,0,0,0|1,0,1]=4 1585 B11R0.29 CC(O)CCCO[C@H](C)C(=O)N 34a_100000731257_200000718107 [0,2,0,0,0,0|2,0,0]=4 1586 B11R0.29 CC(O)CCCO[C@H](C)C(=O)N 7a_100000731257_200000718107 [0,2,0,0,0,0|2,0,0]=4 1587 B11R0.29 CC(O)CCCSC(C)C(=O)N 62a_100000702099_200000718107 [0,2,0,0,0,0|2,0,0]=4 1588 B11R0.29 CC(O)CCCSC(C)C(=O)N 62a_200000718107_100000702099 [0,2,0,0,0,0|2,0,0]=4 1589 B11R0.29 CC(O)CCCSC(F)C(=O)N 62a_100009813875_200000718107 [0,2,0,0,0,0|2,0,0]=4 1590 B11R0.29 CC(O)CCCSC(F)C(=O)N 62a_200000718107_100009813875 [0,2,0,0,0,0|2,0,0]=4 1591 B11R0.29 CC(O)CCCSC(F)C(=O)[O-] 62a_100020610796_200000718107 [0,2,0,0,0,0|1,0,1]=4 1592 B11R0.29 CC(O)CCCSC(F)C(=O)[O-] 62a_200000718107_100020610796 [0,2,0,0,0,0|1,0,1]=4 1593 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,2,0,0,0,0|1,0,0]=3 1594 B11R0.29 CC(O)CCNCC(F)C(=O)O 269956a_100000084737_100012276601 [0,2,0,0,0,0|1,0,0]=3 1595 B11R0.29 CC(O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012276601 [0,2,0,0,0,0|1,0,0]=3 1596 B11R0.42 C#CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100010269958 [0,2,0,0,0,0|2,0,0]=4 1597 B11R0.42 C#CCCCNCC(C)C(=O)O 269956a_100000749485_100011215417 [0,2,0,0,0,0|2,0,0]=4 1598 B11R0.42 C#CCCCNCC(F)C(=O)O 269956a_100000084737_100011215417 [0,2,0,0,0,0|2,0,0]=4 1599 B11R0.42 C#CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000695029 [0,2,0,0,0,0|2,0,0]=4 1600 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,2,0,0,0,0|2,0,0]=4 1601 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [0,2,0,0,0,0|2,0,0]=4 1602 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [0,2,0,0,0,0|2,0,0]=4 1603 B11R0.42 C=CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000757094 [0,2,0,0,0,0|2,0,0]=4 1604 B11R0.42 C=COCCNCC(C)C(=O)O 269956a_100000749485_100000039644 [0,2,0,0,0,0|2,0,0]=4 1605 B11R0.42 C=COCCNCC(F)C(=O)O 269956a_100000084737_100000039644 [0,2,0,0,0,0|2,0,0]=4 1606 B11R0.42 C=COCCOC[C@H](N)C(=O)N 34a_100000729942_100000039644 [0,2,0,0,0,0|2,0,0]=4 1607 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [0,2,0,0,0,0|2,0,0]=4 1608 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [0,2,0,0,0,0|2,0,0]=4 1609 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,2,0,0,0,0|2,0,0]=4 1610 B11R0.42 CC(=O)C(C)NCCOCCO 2230a_100000211614_100009814033 [0,2,0,0,0,0|2,0,0]=4 1611 B11R0.42 CC(=O)C(C)NCCSCCO 2230a_100011219999_100009814033 [0,2,0,0,0,0|2,0,0]=4 1612 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [0,2,0,0,0,0|2,0,0]=4 1613 B11R0.42 CC(=O)C(C)OCCOCCO 34a_100000212229_100000692535 [0,2,0,0,0,0|2,0,0]=4 1614 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [0,2,0,0,0,0|2,0,0]=4 1615 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [0,2,0,0,0,0|2,0,0]=4 1616 B11R0.42 CC(=O)C(C)SCCOCCO 62a_100009814033_100011215305 [0,2,0,0,0,0|2,0,0]=4 1617 B11R0.42 CC(=O)C(C)SCCOCCO 62a_100011215305_100009814033 [0,2,0,0,0,0|2,0,0]=4 1618 B11R0.42 CC(CNCC#CCO)C(=O)O 269956a_100000749485_200000047223 [0,2,0,0,0,0|1,0,1]=4 1619 B11R0.42 CC(CNCCCC#N)C(=O)O 269956a_100000749485_100000687738 [0,2,0,0,0,0|2,0,0]=4 1620 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [0,2,0,0,0,0|1,0,1]=4 1621 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,2,0,0,0,0|2,0,0]=4 1622 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,2,0,0,0,0|1,0,0]=3 1623 B11R0.42 CC(NCCCCCO)C(=O)N 2230a_100000762737_100000702099 [0,2,0,0,0,0|2,0,0]=4 1624 B11R0.42 CC(NCCCCCO)C(=O)N 34a_100000762737_100000702099 [0,2,0,0,0,0|2,0,0]=4 1625 B11R0.42 CC(NCCOCCO)C(=O)N 2230a_100000211614_100000702099 [0,2,0,0,0,0|2,0,0]=4 1626 B11R0.42 CC(NCCOCCO)C(=O)N 34a_100000211614_100000702099 [0,2,0,0,0,0|2,0,0]=4 1627 B11R0.42 CC(NCCSCCO)C(=O)N 2230a_100011219999_100000702099 [0,2,0,0,0,0|2,0,0]=4 1628 B11R0.42 CC(SCCCCCO)C(=O)N 62a_100000702099_100000746330 [0,2,0,0,0,0|2,0,0]=4 1629 B11R0.42 CC(SCCCCCO)C(=O)N 62a_100000746330_100000702099 [0,2,0,0,0,0|2,0,0]=4 1630 B11R0.42 CC(SCCOCCO)C(=O)N 62a_100000702099_100011215305 [0,2,0,0,0,0|2,0,0]=4 1631 B11R0.42 CC(SCCOCCO)C(=O)N 62a_100011215305_100000702099 [0,2,0,0,0,0|2,0,0]=4 1632 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|2,0,0]=4 1633 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|2,0,0]=4 1634 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,2,0,0,0,0|2,0,0]=4 1635 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|2,0,0]=4 1636 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,2,0,0,0,0|2,0,0]=4 1637 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,2,0,0,0,0|2,0,0]=4 1638 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,2,0,0,0,0|2,0,0]=4 1639 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,2,0,0,0,0|2,0,0]=4 1640 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [0,2,0,0,0,0|2,0,0]=4 1641 B11R0.42 CCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000210147 [0,2,0,0,0,0|2,0,0]=4 1642 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,2,0,0,0,0|2,0,0]=4 1643 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [0,2,0,0,0,0|2,0,0]=4 1644 B11R0.42 CCSCCOC[C@H](N)C(=O)N 34a_100000729942_100000757381 [0,2,0,0,0,0|2,0,0]=4 1645 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,2,0,0,0,0|1,0,0]=3 1646 B11R0.42 COCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000730899 [0,2,0,0,0,0|2,0,0]=4 1647 B11R0.42 COCCCCN[C@H](C)C(=O)N 34a_100000119354_100000755781 [0,2,0,0,0,0|2,0,0]=4 1648 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [0,2,0,0,0,0|2,0,0]=4 1649 B11R0.42 COCCCCOC(C)C(=O)N 34a_100000740925_100000702099 [0,2,0,0,0,0|2,0,0]=4 1650 B11R0.42 COCCCCOC(F)C(=O)N 34a_100000740925_100009813875 [0,2,0,0,0,0|2,0,0]=4 1651 B11R0.42 COCCCCOC(F)C(=O)[O-] 34a_100000740925_100020610796 [0,2,0,0,0,0|1,0,1]=4 1652 B11R0.42 COCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730899 [0,2,0,0,0,0|1,0,1]=4 1653 B11R0.42 COCCCCO[C@H](C)C(=O)N 34a_100000731257_100000755781 [0,2,0,0,0,0|2,0,0]=4 1654 B11R0.42 COCCCCO[C@H](C)C(=O)N 7a_100000731257_100000730899 [0,2,0,0,0,0|2,0,0]=4 1655 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [0,2,0,0,0,0|2,0,0]=4 1656 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [0,2,0,0,0,0|2,0,0]=4 1657 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000702099_100000730899 [0,2,0,0,0,0|2,0,0]=4 1658 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000730899_100000702099 [0,2,0,0,0,0|2,0,0]=4 1659 B11R0.42 COCCCCSC(F)C(=O)N 62a_100000730899_100009813875 [0,2,0,0,0,0|2,0,0]=4 1660 B11R0.42 COCCCCSC(F)C(=O)N 62a_100009813875_100000730899 [0,2,0,0,0,0|2,0,0]=4 1661 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100000730899_100020610796 [0,2,0,0,0,0|1,0,1]=4 1662 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100020610796_100000730899 [0,2,0,0,0,0|1,0,1]=4 1663 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,2,0,0,0,0|1,0,0]=3 1664 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [0,2,0,0,0,0|1,0,0]=3 1665 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [0,2,0,0,0,0|2,0,0]=4 1666 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [0,2,0,0,0,0|2,0,0]=4 1667 B11R0.42 COCCCOC[C@H](N)C(=O)N 34a_100000729942_100000740836 [0,2,0,0,0,0|1,0,0]=3 1668 B11R0.42 COCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000231047 [0,2,0,0,0,0|2,0,0]=4 1669 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 2230a_100000119354_100000746330 [0,2,0,0,0,0|2,0,0]=4 1670 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 34a_100000119354_100000746330 [0,2,0,0,0,0|2,0,0]=4 1671 B11R0.42 C[C@@H](NCCOCCO)C(=O)N 2230a_100000119354_100011215305 [0,2,0,0,0,0|2,0,0]=4 1672 B11R0.42 C[C@@H](NCCOCCO)C(=O)N 34a_100000119354_100000692535 [0,2,0,0,0,0|2,0,0]=4 1673 B11R0.42 C[C@@H](OCCCCCO)C(=O)N 34a_100000731257_100000746330 [0,2,0,0,0,0|2,0,0]=4 1674 B11R0.42 C[C@@H](OCCCCCO)C(=O)N 7a_100000731257_100000746330 [0,2,0,0,0,0|2,0,0]=4 1675 B11R0.42 C[C@@H](OCCOCCO)C(=O)N 34a_100000731257_100000692535 [0,2,0,0,0,0|2,0,0]=4 1676 B11R0.42 C[C@@H](OCCOCCO)C(=O)N 7a_100000731257_100011215305 [0,2,0,0,0,0|2,0,0]=4 1677 B11R0.42 C[C@H](NCCCCC#N)C(=O)O 269956a_100000743915_100011219923 [0,2,0,0,0,0|2,0,0]=4 1678 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [0,2,0,0,0,0|1,0,1]=4 1679 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,2,0,0,0,0|2,0,0]=4 1680 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,2,0,0,0,0|1,0,0]=3 1681 B11R0.42 C[C@H](NCCOCCO)C(=O)O 269956a_100000743915_100011215305 [0,2,0,0,0,0|1,0,0]=3 1682 B11R0.42 C[C@H](OCCCCCO)C(=O)[O-] 7a_217856618621_100000746330 [0,2,0,0,0,0|1,0,1]=4 1683 B11R0.42 C[C@H](OCCOCCO)C(=O)[O-] 7a_217856618621_100011215305 [0,2,0,0,0,0|1,0,1]=4 1684 B11R0.42 N#CCCCNCC(F)C(=O)O 269956a_100000084737_100000687738 [0,2,0,0,0,0|2,0,0]=4 1685 B11R0.42 NC(=O)C(F)NCCCCCO 2230a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 1686 B11R0.42 NC(=O)C(F)NCCCCCO 34a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 1687 B11R0.42 NC(=O)C(F)NCCOCCO 2230a_100000211614_100009813875 [0,2,0,0,0,0|2,0,0]=4 1688 B11R0.42 NC(=O)C(F)NCCOCCO 34a_100000211614_100009813875 [0,2,0,0,0,0|2,0,0]=4 1689 B11R0.42 NC(=O)C(F)NCCSCCO 2230a_100011219999_100009813875 [0,2,0,0,0,0|2,0,0]=4 1690 B11R0.42 NC(=O)C(F)SCCCCCO 62a_100000746330_100009813875 [0,2,0,0,0,0|2,0,0]=4 1691 B11R0.42 NC(=O)C(F)SCCCCCO 62a_100009813875_100000746330 [0,2,0,0,0,0|2,0,0]=4 1692 B11R0.42 NC(=O)C(F)SCCOCCO 62a_100009813875_100011215305 [0,2,0,0,0,0|2,0,0]=4 1693 B11R0.42 NC(=O)C(F)SCCOCCO 62a_100011215305_100009813875 [0,2,0,0,0,0|2,0,0]=4 1694 B11R0.42 NC(=O)[C@@H](N)COCC#CCO 34a_100000729942_200000047223 [0,2,0,0,0,0|1,0,1]=4 1695 B11R0.42 NC(=O)[C@@H](N)COCCCCF 34a_100000729942_100000729493 [0,2,0,0,0,0|2,0,0]=4 1696 B11R0.42 NC(=O)[C@@H](N)COCCCCO 34a_100000729942_100011216708 [0,2,0,0,0,0|1,0,0]=3 1697 B11R0.42 O=C(O)C(F)CNCC#CCO 269956a_100000084737_200000047223 [0,2,0,0,0,0|1,0,1]=4 1698 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [0,2,0,0,0,0|2,0,0]=4 1699 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [0,2,0,0,0,0|1,0,0]=3 1700 B11R0.42 O=C([O-])C(F)NCCCCCO 34a_100000762737_100020610796 [0,2,0,0,0,0|1,0,1]=4 1701 B11R0.42 O=C([O-])C(F)NCCOCCO 34a_100000211614_100020610796 [0,2,0,0,0,0|1,0,1]=4 1702 B11R0.42 O=C([O-])C(F)SCCCCCO 62a_100000746330_100020610796 [0,2,0,0,0,0|1,0,1]=4 1703 B11R0.42 O=C([O-])C(F)SCCCCCO 62a_100020610796_100000746330 [0,2,0,0,0,0|1,0,1]=4 1704 B11R0.42 O=C([O-])C(F)SCCOCCO 62a_100011215305_100020610796 [0,2,0,0,0,0|1,0,1]=4 1705 B11R0.42 O=C([O-])C(F)SCCOCCO 62a_100020610796_100011215305 [0,2,0,0,0,0|1,0,1]=4 1706 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [0,2,0,0,0,0|1,0,1]=4 1707 B11R0.76 C=C[C@H](NCCCCC)C(=O)O 269956a_100016992060_100000210326 [0,2,0,0,0,0|2,0,0]=4 1708 B11R0.76 C=C[C@H](NCCCCF)C(=O)O 269956a_100016992060_100000729493 [0,2,0,0,0,0|2,0,0]=4 1709 B11R0.76 C=C[C@H](NCCCCO)C(=O)O 269956a_100016992060_100000210776 [0,2,0,0,0,0|1,0,0]=3 1710 B11R0.76 C=C[C@H](NCCCOC)C(=O)O 269956a_100016992060_100000740836 [0,2,0,0,0,0|2,0,0]=4 1711 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000733705_100000210776 [0,2,0,0,0,0|2,0,0]=4 1712 B11R0.76 CCC(NCCCCO)C(=O)N 2230a_100000750430_100000750255 [0,2,0,0,0,0|2,0,0]=4 1713 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000733705_100011216708 [0,2,0,0,0,0|2,0,0]=4 1714 B11R0.76 CCC(NCCCCO)C(=O)N 34a_100000750430_100000750255 [0,2,0,0,0,0|2,0,0]=4 1715 B11R0.76 CCC(SCCCCO)C(=O)N 62a_100000210776_100000750255 [0,2,0,0,0,0|2,0,0]=4 1716 B11R0.76 CCC(SCCCCO)C(=O)N 62a_100000750255_100000210776 [0,2,0,0,0,0|2,0,0]=4 1717 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,2,0,0,0,0|2,0,0]=4 1718 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,2,0,0,0,0|2,0,0]=4 1719 B11R0.76 CC[C@@H](NCCCCF)C(=O)O 269956a_100000747097_100000729493 [0,2,0,0,0,0|2,0,0]=4 1720 B11R0.76 CC[C@@H](NCCCCO)C(=O)O 269956a_100000747097_100000210776 [0,2,0,0,0,0|1,0,0]=3 1721 B11R0.76 CC[C@@H](NCCCOC)C(=O)O 269956a_100000747097_100000740836 [0,2,0,0,0,0|2,0,0]=4 1722 B11R0.76 COCCCNC(CO)C(=O)O 269956a_100000187304_100000740836 [0,2,0,0,0,0|2,0,0]=4 1723 B11R0.76 N#CC(NCCCCO)C(=O)N 2230a_100000039599_100000210776 [0,2,0,0,0,0|1,0,1]=4 1724 B11R0.76 NC(=O)[C@H](CO)NCCCCO 2230a_100000729942_100000210776 [0,2,0,0,0,0|2,0,0]=4 1725 B11R0.76 NC(=O)[C@H](CO)NCCCCO 34a_100000729942_100011216708 [0,2,0,0,0,0|2,0,0]=4 1726 B11R0.76 O=C(O)C(CO)NCCCCF 269956a_100000187304_100000729493 [0,2,0,0,0,0|2,0,0]=4 1727 B11R0.76 O=C(O)C(CO)NCCCCO 269956a_100000187304_100000210776 [0,2,0,0,0,0|1,0,0]=3 1728 B11R0.109 C=CC(O)CNCC(C)C(=O)O 269956a_100000749485_100000730141 [0,2,0,0,0,0|2,0,0]=4 1729 B11R0.109 C=CC(O)CNCC(F)C(=O)O 269956a_100000084737_100000730141 [0,2,0,0,0,0|2,0,0]=4 1730 B11R0.109 C=CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100000730141 [0,2,0,0,0,0|2,0,0]=4 1731 B11R0.109 CC(=O)C(C)COCC(O)CO 34a_100000032740_100011219619 [0,2,0,0,0,0|2,0,0]=4 1732 B11R0.109 CC(=O)C(C)COCC(O)CO 7a_100000032740_100011219619 [0,2,0,0,0,0|2,0,0]=4 1733 B11R0.109 CC(=O)C(C)COC[C@@H](C)CO 34a_100000032740_100000059175 [0,2,0,0,0,0|2,0,0]=4 1734 B11R0.109 CC(=O)C(C)COC[C@@H](C)CO 7a_100000032740_100000059175 [0,2,0,0,0,0|2,0,0]=4 1735 B11R0.109 CC(=O)C(C)COC[C@@H](O)CO 34a_100000032740_100009815848 [0,2,0,0,0,0|2,0,0]=4 1736 B11R0.109 CC(=O)C(C)COC[C@@H](O)CO 7a_100000032740_100009815848 [0,2,0,0,0,0|2,0,0]=4 1737 B11R0.109 CC(=O)C(C)NCCC(C)CO 2230a_106354213184_100009814033 [0,2,0,0,0,0|2,0,0]=4 1738 B11R0.109 CC(CNCC(O)CO)C(=O)O 269956a_100000749485_100011219619 [0,2,0,0,0,0|1,0,0]=3 1739 B11R0.109 CC(CNC[C@@H](C)CO)C(=O)O 269956a_100000749485_100000059175 [0,2,0,0,0,0|1,0,0]=3 1740 B11R0.109 CC(CNC[C@@H](O)CF)C(=O)O 269956a_100000749485_100015614560 [0,2,0,0,0,0|2,0,0]=4 1741 B11R0.109 CC(CNC[C@@H](O)CO)C(=O)O 269956a_100000749485_100009815848 [0,2,0,0,0,0|1,0,0]=3 1742 B11R0.109 CC(CO)CCNC(C)C(=O)N 2230a_106354213184_100000702099 [0,2,0,0,0,0|2,0,0]=4 1743 B11R0.109 CC(CO)CCNC(C)C(=O)N 34a_106354213184_100000702099 [0,2,0,0,0,0|2,0,0]=4 1744 B11R0.109 CC(CO)CCNC(F)C(=O)N 2230a_106354213184_100009813875 [0,2,0,0,0,0|2,0,0]=4 1745 B11R0.109 CC(CO)CCNC(F)C(=O)N 34a_106354213184_100009813875 [0,2,0,0,0,0|2,0,0]=4 1746 B11R0.109 CC(CO)CCNC(F)C(=O)[O-] 34a_106354213184_100020610796 [0,2,0,0,0,0|1,0,1]=4 1747 B11R0.109 CCC(C)CNCC(C)C(=O)O 269956a_100000749485_100000748023 [0,2,0,0,0,0|2,0,0]=4 1748 B11R0.109 CCC(C)CNCC(F)C(=O)O 269956a_100000084737_100000748023 [0,2,0,0,0,0|2,0,0]=4 1749 B11R0.109 CCC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748023 [0,2,0,0,0,0|2,0,0]=4 1750 B11R0.109 CCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218378 [0,2,0,0,0,0|2,0,0]=4 1751 B11R0.109 CCC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218378 [0,2,0,0,0,0|2,0,0]=4 1752 B11R0.109 CCC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218378 [0,2,0,0,0,0|2,0,0]=4 1753 B11R0.109 CC[C@H](C)CNCC(C)C(=O)O 269956a_100000749485_100009816398 [0,2,0,0,0,0|2,0,0]=4 1754 B11R0.109 CC[C@H](C)CNCC(F)C(=O)O 269956a_100000084737_100009816398 [0,2,0,0,0,0|2,0,0]=4 1755 B11R0.109 CC[C@H](C)COC[C@H](N)C(=O)N 34a_100000729942_100009816398 [0,2,0,0,0,0|2,0,0]=4 1756 B11R0.109 C[C@@H](CO)CNCC(F)C(=O)O 269956a_100000084737_100000059175 [0,2,0,0,0,0|1,0,0]=3 1757 B11R0.109 C[C@@H](CO)COC[C@H](N)C(=O)N 34a_100000729942_100000059175 [0,2,0,0,0,0|1,0,0]=3 1758 B11R0.109 NC(=O)[C@@H](N)COCC(O)CO 34a_100000729942_100011219619 [0,2,0,0,0,0|1,0,0]=3 1759 B11R0.109 NC(=O)[C@@H](N)COC[C@@H](O)CF 34a_100000729942_100015614560 [0,2,0,0,0,0|2,0,0]=4 1760 B11R0.109 NC(=O)[C@@H](N)COC[C@@H](O)CO 34a_100000729942_100009815848 [0,2,0,0,0,0|1,0,0]=3 1761 B11R0.109 O=C(O)C(F)CNCC(O)CO 269956a_100000084737_100011219619 [0,2,0,0,0,0|1,0,0]=3 1762 B11R0.109 O=C(O)C(F)CNC[C@@H](O)CF 269956a_100000084737_100015614560 [0,2,0,0,0,0|2,0,0]=4 1763 B11R0.109 O=C(O)C(F)CNC[C@@H](O)CO 269956a_100000084737_100009815848 [0,2,0,0,0,0|1,0,0]=3 1764 B11R0.141 CC(=O)C(C)COC(C)CCO 34a_100000032740_100009893172 [0,2,0,0,0,0|2,0,0]=4 1765 B11R0.141 CC(=O)C(C)COC(C)CCO 7a_100000032740_100009893172 [0,2,0,0,0,0|2,0,0]=4 1766 B11R0.141 CC(CCO)NCC(C)C(=O)O 269956a_100000749485_100009893172 [0,2,0,0,0,0|1,0,0]=3 1767 B11R0.141 CC(CCO)NCC(F)C(=O)O 269956a_100000084737_100009893172 [0,2,0,0,0,0|1,0,0]=3 1768 B11R0.141 CC(CCO)OC[C@H](N)C(=O)N 34a_100000729942_100009893172 [0,2,0,0,0,0|1,0,0]=3 1769 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216630 [0,2,0,0,0,0|2,0,0]=4 1770 B11R0.141 CCCC(C)NCC(C)C(=O)O 269956a_100000749485_100000766640 [0,2,0,0,0,0|2,0,0]=4 1771 B11R0.141 CCCC(C)NCC(F)C(=O)O 269956a_100000084737_100000766640 [0,2,0,0,0,0|2,0,0]=4 1772 B11R0.141 CCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000766640 [0,2,0,0,0,0|2,0,0]=4 1773 B11R0.141 COCC(C)NCC(C)C(=O)O 269956a_100000749485_100000765312 [0,2,0,0,0,0|2,0,0]=4 1774 B11R0.141 COCC(C)NCC(F)C(=O)O 269956a_100000084737_100000765312 [0,2,0,0,0,0|2,0,0]=4 1775 B11R0.141 COCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000765312 [0,2,0,0,0,0|2,0,0]=4 1776 B11R0.141 COCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011215053 [0,2,0,0,0,0|2,0,0]=4 1777 B11R0.142 C#CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000688953 [0,2,0,0,0,0|1,0,1]=4 1778 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100009813391_100011215043 [0,2,0,0,0,0|1,0,1]=4 1779 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100011215043_100009813391 [0,2,0,0,0,0|1,0,1]=4 1780 B11R0.142 C=CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000754431 [0,2,0,0,0,0|1,0,1]=4 1781 B11R0.142 CC(OCCCCO)C(=O)NN 34a_100000725659_100011216708 [0,2,0,0,0,0|2,0,0]=4 1782 B11R0.142 CCC(=O)C(C)NCCCCO 2230a_100000750430_100000742827 [0,2,0,0,0,0|2,0,0]=4 1783 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000210776_100000742827 [0,2,0,0,0,0|2,0,0]=4 1784 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000742827_100000210776 [0,2,0,0,0,0|2,0,0]=4 1785 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|2,0,0]=4 1786 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,2,0,0,0,0|2,0,0]=4 1787 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,2,0,0,0,0|2,0,0]=4 1788 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,2,0,0,0,0|2,0,0]=4 1789 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,2,0,0,0,0|2,0,0]=4 1790 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,2,0,0,0,0|2,0,0]=4 1791 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,2,0,0,0,0|2,0,0]=4 1792 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,2,0,0,0,0|2,0,0]=4 1793 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,2,0,0,0,0|2,0,0]=4 1794 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,2,0,0,0,0|2,0,0]=4 1795 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,2,0,0,0,0|2,0,0]=4 1796 B11R0.142 CCCCOCC(N)C(=O)NN 34a_100016989258_100000210210 [0,2,0,0,0,0|2,0,0]=4 1797 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,2,0,0,0,0|1,0,0]=3 1798 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,2,0,0,0,0|2,0,0]=4 1799 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,2,0,0,0,0|2,0,0]=4 1800 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,2,0,0,0,0|2,0,0]=4 1801 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,2,0,0,0,0|2,0,0]=4 1802 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,2,0,0,0,0|2,0,0]=4 1803 B11R0.142 CN(CCCCCO)C(=O)CO 240690a_100000722520_100000210174 [0,2,0,0,0,0|2,0,0]=4 1804 B11R0.142 CN(CCOCCO)C(=O)CO 240690a_100000228057_100000210174 [0,2,0,0,0,0|2,0,0]=4 1805 B11R0.142 CNC(=O)C(C)CNCCCO 2230a_100015187722_100000230001 [0,2,0,0,0,0|2,0,0]=4 1806 B11R0.142 CNC(=O)C(C)CNCCCO 34a_100015187722_100000230001 [0,2,0,0,0,0|2,0,0]=4 1807 B11R0.142 CNC(=O)C(C)NCCCCO 2230a_100000750430_100000731044 [0,2,0,0,0,0|2,0,0]=4 1808 B11R0.142 CNC(=O)C(C)NCCCCO 34a_100000750430_100000731044 [0,2,0,0,0,0|2,0,0]=4 1809 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000209862_100000210776 [0,2,0,0,0,0|2,0,0]=4 1810 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000210776_100000731044 [0,2,0,0,0,0|2,0,0]=4 1811 B11R0.142 CNC(=O)C(F)NCCCCO 2230a_100000750430_100009813575 [0,2,0,0,0,0|2,0,0]=4 1812 B11R0.142 CNC(=O)C(F)NCCCCO 34a_100000750430_100009813575 [0,2,0,0,0,0|2,0,0]=4 1813 B11R0.142 CNC(=O)C(F)SCCCCO 62a_100000210776_100009813575 [0,2,0,0,0,0|2,0,0]=4 1814 B11R0.142 CNC(=O)C(F)SCCCCO 62a_100009813575_100000210776 [0,2,0,0,0,0|2,0,0]=4 1815 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 2230a_100000684985_100000210776 [0,2,0,0,0,0|2,0,0]=4 1816 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 34a_100000684985_100011216708 [0,2,0,0,0,0|2,0,0]=4 1817 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011215043_100011610305 [0,2,0,0,0,0|1,0,1]=4 1818 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011610305_100011215043 [0,2,0,0,0,0|1,0,1]=4 1819 B11R0.142 COC(=O)C(=O)NCCCCO 240690a_100000750430_100000024059 [0,2,0,0,0,0|1,0,1]=4 1820 B11R0.142 COC(=O)C(=O)NCCCCO 527a_100000750430_100000024059 [0,2,0,0,0,0|1,0,1]=4 1821 B11R0.142 COC(=O)C(C)CCNCCF 34a_100000724931_100000034942 [0,2,0,0,0,0|2,0,0]=4 1822 B11R0.142 COC(=O)C(C)CCNCCO 2230a_100016997473_100000034942 [0,2,0,0,0,0|1,0,0]=3 1823 B11R0.142 COC(=O)C(C)CCNCCO 34a_100016990907_100000034942 [0,2,0,0,0,0|1,0,0]=3 1824 B11R0.142 COC(=O)C(C)CCOCCBr 34a_100000211926_100000034942 [0,2,0,0,0,0|2,0,0]=4 1825 B11R0.142 COC(=O)C(C)CCOCCN 34a_100000210304_100000034942 [0,2,0,0,0,0|2,0,0]=4 1826 B11R0.142 COC(=O)C(C)CCSCCF 62a_100000034942_100011217306 [0,2,0,0,0,0|2,0,0]=4 1827 B11R0.142 COC(=O)C(C)CCSCCF 62a_100011217306_100000034942 [0,2,0,0,0,0|2,0,0]=4 1828 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000034942_100000211926 [0,2,0,0,0,0|1,0,0]=3 1829 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000211926_100000034942 [0,2,0,0,0,0|1,0,0]=3 1830 B11R0.142 COC(=O)C(C)CNCCCF 34a_100015189416_100000698445 [0,2,0,0,0,0|2,0,0]=4 1831 B11R0.142 COC(=O)C(C)COCCCBr 34a_100011217188_100000698445 [0,2,0,0,0,0|2,0,0]=4 1832 B11R0.142 COC(=O)C(C)COCCCCl 34a_100000230001_100000698445 [0,2,0,0,0,0|2,0,0]=4 1833 B11R0.142 COC(=O)C(C)COCCCF 34a_100000749362_100011934791 [0,2,0,0,0,0|2,0,0]=4 1834 B11R0.142 COC(=O)C(C)COCCCF 34a_100000759539_100000698445 [0,2,0,0,0,0|2,0,0]=4 1835 B11R0.142 COC(=O)C(C)COCCCF 7a_100000749362_100011934791 [0,2,0,0,0,0|2,0,0]=4 1836 B11R0.142 COC(=O)C(C)COCCCN 34a_100000182051_100000698445 [0,2,0,0,0,0|2,0,0]=4 1837 B11R0.142 COC(=O)C(C)COCCCO 34a_100000749362_100000230001 [0,2,0,0,0,0|1,0,0]=3 1838 B11R0.142 COC(=O)C(C)COCCCO 7a_100000749362_100011215043 [0,2,0,0,0,0|1,0,0]=3 1839 B11R0.142 COC(=O)C(C)COCCON 34a_100000700252_100000698445 [0,2,0,0,0,0|2,0,0]=4 1840 B11R0.142 COC(=O)C(C)CSCCCF 62a_100000698445_100011934791 [0,2,0,0,0,0|2,0,0]=4 1841 B11R0.142 COC(=O)C(C)CSCCCF 62a_100011934791_100000698445 [0,2,0,0,0,0|2,0,0]=4 1842 B11R0.142 COC(=O)C(C)CSCCCO 62a_100000698445_100011215043 [0,2,0,0,0,0|1,0,0]=3 1843 B11R0.142 COC(=O)C(C)CSCCCO 62a_100011215043_100000698445 [0,2,0,0,0,0|1,0,0]=3 1844 B11R0.142 COC(=O)C(C)NCCCCO 2230a_100000750430_100000211248 [0,2,0,0,0,0|1,0,0]=3 1845 B11R0.142 COC(=O)C(C)NCCCCO 34a_100000750430_100000211248 [0,2,0,0,0,0|1,0,0]=3 1846 B11R0.142 COC(=O)C(C)OCCCCBr 34a_100011216708_100000211248 [0,2,0,0,0,0|2,0,0]=4 1847 B11R0.142 COC(=O)C(C)OCCCCCl 34a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 1848 B11R0.142 COC(=O)C(C)OCCCCCl 7a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 1849 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011215400_100000729493 [0,2,0,0,0,0|2,0,0]=4 1850 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011995726_100000211248 [0,2,0,0,0,0|2,0,0]=4 1851 B11R0.142 COC(=O)C(C)OCCCCF 7a_100011995726_100000211248 [0,2,0,0,0,0|2,0,0]=4 1852 B11R0.142 COC(=O)C(C)OCCCCI 34a_200012148704_100000211248 [0,2,0,0,0,0|2,0,0]=4 1853 B11R0.142 COC(=O)C(C)OCCCCN 34a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 1854 B11R0.142 COC(=O)C(C)OCCCCO 34a_100011215400_100011216708 [0,2,0,0,0,0|1,0,0]=3 1855 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000211248_100000729493 [0,2,0,0,0,0|2,0,0]=4 1856 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000729493_100000211248 [0,2,0,0,0,0|2,0,0]=4 1857 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000210776_100000211248 [0,2,0,0,0,0|1,0,0]=3 1858 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000211248_100000210776 [0,2,0,0,0,0|1,0,0]=3 1859 B11R0.142 COC(=O)C(F)COCCCF 34a_200009849844_100011934791 [0,2,0,0,0,0|2,0,0]=4 1860 B11R0.142 COC(=O)C(F)COCCCO 34a_200009849844_100000230001 [0,2,0,0,0,0|1,0,0]=3 1861 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [0,2,0,0,0,0|1,0,0]=3 1862 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [0,2,0,0,0,0|0,0,0]=2 1863 B11R0.142 COC(=O)[C@H](N)COCCSC 34a_100000003586_100000212216 [0,2,0,0,0,0|1,1,0]=4 1864 B11R0.142 COCCCNC(C)C(=O)OC 34a_100150723488_100000211248 [0,2,0,0,0,0|2,0,0]=4 1865 B11R0.142 COCCCOC(C)C(=O)OC 34a_100000740835_100000211248 [0,2,0,0,0,0|2,0,0]=4 1866 B11R0.142 COCCCOC(C)C(=O)OC 34a_100011215400_100000740836 [0,2,0,0,0,0|2,0,0]=4 1867 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000211248_100000709357 [0,2,0,0,0,0|2,0,0]=4 1868 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000709357_100000211248 [0,2,0,0,0,0|2,0,0]=4 1869 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000210237_100000698445 [0,2,0,0,0,0|2,0,0]=4 1870 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000749362_100011201679 [0,2,0,0,0,0|2,0,0]=4 1871 B11R0.142 COCCOCC(C)C(=O)OC 7a_100000749362_100000233755 [0,2,0,0,0,0|2,0,0]=4 1872 B11R0.142 COCCOCC(F)C(=O)OC 34a_200009849844_100011201679 [0,2,0,0,0,0|2,0,0]=4 1873 B11R0.142 COCCOCC(N)C(=O)NN 34a_100016989258_100011201679 [0,2,0,0,0,0|2,0,0]=4 1874 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [0,2,0,0,0,0|1,0,0]=3 1875 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000233755_100000698445 [0,2,0,0,0,0|2,0,0]=4 1876 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000698445_100000233755 [0,2,0,0,0,0|2,0,0]=4 1877 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000034942_100000766300 [0,2,0,0,0,0|2,0,0]=4 1878 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000766300_100000034942 [0,2,0,0,0,0|2,0,0]=4 1879 B11R0.142 NNC(=O)C(N)COCCCF 34a_100016989258_100011934791 [0,2,0,0,0,0|2,0,0]=4 1880 B11R0.142 NNC(=O)C(N)COCCCO 34a_100016989258_100000230001 [0,2,0,0,0,0|1,0,0]=3 1881 B11R0.73 CCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210303 [0,2,0,0,0,0|2,0,0]=4 1882 B11R0.73 CNC(=O)[C@@H](N)[C@@H](C)OCCO 34a_100102634413_100000211926 [0,2,0,0,0,0|2,0,0]=4 1883 B11R0.73 COC(=O)C(C)C(=O)CCCO 1458a_100012027023_100011215043 [0,2,0,0,0,0|1,0,1]=4 1884 B11R0.73 COC(=O)C(C)N(C)CCCO 2230a_100000213112_100000211248 [0,2,0,0,0,0|2,0,0]=4 1885 B11R0.73 COC(=O)C(C)N(C)CCCO 2230a_100000725243_100000230001 [0,2,0,0,0,0|2,0,0]=4 1886 B11R0.73 COC(=O)C(C)N(C)CCCO 269982a_100000213112_100000211248 [0,2,0,0,0,0|2,0,0]=4 1887 B11R0.73 COC(=O)C(C)N(C)CCCO 269982a_100000725243_100011215043 [0,2,0,0,0,0|2,0,0]=4 1888 B11R0.73 COC(=O)[C@@H](N)[C@@H](C)OCCF 34a_100000004424_100011217306 [0,2,0,0,0,0|2,0,0]=4 1889 B11R0.73 COC(=O)[C@@H](N)[C@@H](C)OCCO 34a_100000004424_100000211926 [0,2,0,0,0,0|1,0,0]=3 1890 B11R0.92 CC(C(=O)O)N(C)CC(O)CO 269956a_100000749554_100011219619 [0,2,0,0,0,0|2,0,0]=4 1891 B11R0.92 CC(C(=O)O)N(C)C[C@@H](C)CO 269956a_100000749554_100000059175 [0,2,0,0,0,0|2,0,0]=4 1892 B11R0.92 CC(C(=O)O)N(C)C[C@@H](O)CO 269956a_100000749554_100009815848 [0,2,0,0,0,0|2,0,0]=4 1893 B11R0.92 CC(CO)O[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100012180447 [0,2,0,0,0,0|2,0,0]=4 1894 B11R0.173 CC(O)CCN(C)C(C)C(=O)O 269956a_100000749554_100012276601 [0,2,0,0,0,0|2,0,0]=4 1895 B11R0.173 CC(O)CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100011218427 [0,2,0,0,0,0|2,0,0]=4 1896 B11R0.173 C[C@@H](O)CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100009817552 [0,2,0,0,0,0|2,0,0]=4 1897 B11R0.238 CN(CCCO)[C@@H](CO)C(=O)O 269956a_100015362447_100011215043 [0,2,0,0,0,0|2,0,0]=4 1898 B11R0.90 C=C[C@H](NCC(O)CO)C(=O)O 269956a_100016992060_100011219619 [0,2,0,0,0,0|2,0,0]=4 1899 B11R0.90 C=C[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100016992060_100000059175 [0,2,0,0,0,0|2,0,0]=4 1900 B11R0.90 C=C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100016992060_100009815848 [0,2,0,0,0,0|2,0,0]=4 1901 B11R0.90 CC[C@@H](NCC(O)CO)C(=O)O 269956a_100000747097_100011219619 [0,2,0,0,0,0|2,0,0]=4 1902 B11R0.90 CC[C@@H](NC[C@@H](C)CO)C(=O)O 269956a_100000747097_100000059175 [0,2,0,0,0,0|2,0,0]=4 1903 B11R0.90 CC[C@@H](NC[C@@H](O)CO)C(=O)O 269956a_100000747097_100009815848 [0,2,0,0,0,0|2,0,0]=4 1904 B11R0.90 C[C@@H](CO)CNC(CO)C(=O)O 269956a_100000187304_100000059175 [0,2,0,0,0,0|2,0,0]=4 1905 B11R0.120 CC(CO)OCC(N)C(=O)NN 34a_100016989258_100012180447 [0,2,0,0,0,0|2,0,0]=4 1906 B11R0.120 CCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100011215416 [0,2,0,0,0,0|2,0,0]=4 1907 B11R0.120 COC(=O)C(C)CCC(=O)CO 1458a_100000210174_100000034942 [0,2,0,0,0,0|1,0,1]=4 1908 B11R0.120 COC(=O)C(C)COC(C)CO 34a_100000749362_100012180447 [0,2,0,0,0,0|2,0,0]=4 1909 B11R0.120 COC(=O)C(C)COC(C)CO 7a_100000749362_100012180447 [0,2,0,0,0,0|2,0,0]=4 1910 B11R0.120 COC(=O)C(C)CSC(C)CO 62a_100012180447_100000698445 [0,2,0,0,0,0|2,0,0]=4 1911 B11R0.120 COC(=O)C(C)CS[C@H](C)CO 62a_100000698445_100016084084 [0,2,0,0,0,0|2,0,0]=4 1912 B11R0.120 COC(=O)C(C)CS[C@H](C)CO 62a_100016084084_100000698445 [0,2,0,0,0,0|2,0,0]=4 1913 B11R0.120 COC(=O)C(C)NCC(C)CO 34a_100000744482_100000211248 [0,2,0,0,0,0|2,0,0]=4 1914 B11R0.120 COC(=O)C(C)NC[C@@H](F)CO 34a_100015665980_100000211248 [0,2,0,0,0,0|2,0,0]=4 1915 B11R0.120 COC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100000211248 [0,2,0,0,0,0|2,0,0]=4 1916 B11R0.120 COC(=O)C(C)OCC(O)CO 34a_100011215400_100011219619 [0,2,0,0,0,0|2,0,0]=4 1917 B11R0.120 COC(=O)C(C)OC[C@@H](C)CO 34a_100011215400_100000059175 [0,2,0,0,0,0|2,0,0]=4 1918 B11R0.120 COC(=O)C(C)OC[C@@H](O)CO 34a_100011215400_100009815848 [0,2,0,0,0,0|2,0,0]=4 1919 B11R0.120 COC(=O)C(C)SCC(O)CO 62a_100000211248_100011219619 [0,2,0,0,0,0|2,0,0]=4 1920 B11R0.120 COC(=O)C(C)SCC(O)CO 62a_100011219619_100000211248 [0,2,0,0,0,0|2,0,0]=4 1921 B11R0.120 COC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100000211248 [0,2,0,0,0,0|2,0,0]=4 1922 B11R0.120 COC(=O)C(C)SC[C@@H](C)CO 62a_100000211248_100000059175 [0,2,0,0,0,0|2,0,0]=4 1923 B11R0.120 COC(=O)C(C)SC[C@@H](O)CO 62a_100000211248_100009815848 [0,2,0,0,0,0|2,0,0]=4 1924 B11R0.120 COC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100000211248 [0,2,0,0,0,0|2,0,0]=4 1925 B11R0.120 COC(=O)C(F)COC(C)CO 34a_200009849844_100012180447 [0,2,0,0,0,0|2,0,0]=4 1926 B11R0.120 COC(=O)[C@H](N)COC(C)CO 34a_100000003586_100012180447 [0,2,0,0,0,0|1,0,0]=3 1927 B11R0.302 CC(CNC(F)(F)CO)C(=O)O 269956a_100000749485_100011217949 [0,2,0,0,0,0|2,0,0]=4 1928 B11R0.302 C[C@H](NCC(C)(C)CO)C(=O)O 269956a_100000743915_100009813988 [0,2,0,0,0,0|2,0,0]=4 1929 B11R0.302 O=C(O)C(F)CNC(F)(F)CO 269956a_100000084737_100011217949 [0,2,0,0,0,0|2,0,0]=4 1930 B11R0.75 CCC(OCCCO)C(=O)OC 34a_100000695916_100000230001 [0,2,0,0,0,0|2,0,0]=4 1931 B11R0.75 CCC(OCCCO)C(=O)OC 7a_100000695916_100011215043 [0,2,0,0,0,0|2,0,0]=4 1932 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100000235869_100011215043 [0,2,0,0,0,0|2,0,0]=4 1933 B11R0.75 CCC(SCCCO)C(=O)OC 62a_100011215043_100000235869 [0,2,0,0,0,0|2,0,0]=4 1934 B11R0.75 CCCCCC(NC)C(=O)NC 2230a_200121577139_200000210301 [0,2,0,0,0,0|2,0,0]=4 1935 B11R0.75 CCCCCC(NC)C(=O)NC 34a_200121577139_200000210301 [0,2,0,0,0,0|2,0,0]=4 1936 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 2230a_200121577139_200025704644 [0,2,0,0,0,0|2,0,0]=4 1937 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 34a_200121577139_200025704644 [0,2,0,0,0,0|2,0,0]=4 1938 B11R0.75 CCCCOC(CN)C(=O)OC 34a_100000695228_100000210210 [0,2,0,0,0,0|2,0,0]=4 1939 B11R0.75 CCN(CCCCO)C(=O)CO 240690a_100011217355_100000210174 [0,2,0,0,0,0|2,0,0]=4 1940 B11R0.75 COC(=O)C(C=O)SCCCO 62a_100000046368_100011215043 [0,2,0,0,0,0|2,0,0]=4 1941 B11R0.75 COC(=O)C(C=O)SCCCO 62a_100011215043_100000046368 [0,2,0,0,0,0|2,0,0]=4 1942 B11R0.75 COC(=O)C(CN)OCCCF 34a_100000695228_100011934791 [0,2,0,0,0,0|2,0,0]=4 1943 B11R0.75 COC(=O)C(CN)OCCCO 34a_100000695228_100000230001 [0,2,0,0,0,0|1,0,0]=3 1944 B11R0.75 COC(=O)C(CO)SCCCO 62a_100011215043_100012276630 [0,2,0,0,0,0|2,0,0]=4 1945 B11R0.75 COC(=O)C(CO)SCCCO 62a_100012276630_100011215043 [0,2,0,0,0,0|2,0,0]=4 1946 B11R0.75 COC(=O)C(OC)OCCCO 34a_100000036821_100000230001 [0,2,0,0,0,0|2,0,0]=4 1947 B11R0.75 COC(=O)C(OC)SCCCO 62a_100000101307_100011215043 [0,2,0,0,0,0|2,0,0]=4 1948 B11R0.75 COC(=O)C(OC)SCCCO 62a_100011215043_100000101307 [0,2,0,0,0,0|2,0,0]=4 1949 B11R0.145 CC(O)COCC(N)C(=O)NN 34a_100016989258_100011218427 [0,2,0,0,0,0|2,0,0]=4 1950 B11R0.145 COC(=O)C(C)CNCC(C)O 34a_100000210904_100000698445 [0,2,0,0,0,0|2,0,0]=4 1951 B11R0.145 COC(=O)C(C)COCC(C)O 34a_100000749362_100011218427 [0,2,0,0,0,0|2,0,0]=4 1952 B11R0.145 COC(=O)C(C)COCC(C)O 7a_100000749362_100011218427 [0,2,0,0,0,0|2,0,0]=4 1953 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 34a_100000749362_100009817552 [0,2,0,0,0,0|2,0,0]=4 1954 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 7a_100000749362_100009817552 [0,2,0,0,0,0|2,0,0]=4 1955 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100000698445_100011218427 [0,2,0,0,0,0|2,0,0]=4 1956 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100011218427_100000698445 [0,2,0,0,0,0|2,0,0]=4 1957 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100000698445_100009817552 [0,2,0,0,0,0|2,0,0]=4 1958 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100009817552_100000698445 [0,2,0,0,0,0|2,0,0]=4 1959 B11R0.145 COC(=O)C(C)NCCC(C)O 2230a_200000755665_100000211248 [0,2,0,0,0,0|2,0,0]=4 1960 B11R0.145 COC(=O)C(C)OCCC(C)O 34a_100011215400_100012276601 [0,2,0,0,0,0|2,0,0]=4 1961 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100000211248_100012276601 [0,2,0,0,0,0|2,0,0]=4 1962 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100012276601_100000211248 [0,2,0,0,0,0|2,0,0]=4 1963 B11R0.145 COC(=O)C(F)COCC(C)O 34a_200009849844_100011218427 [0,2,0,0,0,0|2,0,0]=4 1964 B11R0.145 COC(=O)C(F)COC[C@@H](C)O 34a_200009849844_100009817552 [0,2,0,0,0,0|2,0,0]=4 1965 B11R0.145 COC(=O)[C@H](N)COCC(C)C 34a_100000003586_100000210624 [0,2,0,0,0,0|2,0,0]=4 1966 B11R0.145 COC(=O)[C@H](N)COCC(C)O 34a_100000003586_100011218427 [0,2,0,0,0,0|1,0,0]=3 1967 B11R0.145 COC(=O)[C@H](N)COCC(F)F 34a_100000003586_100011934356 [0,2,0,0,0,0|2,0,0]=4 1968 B11R0.145 COC(=O)[C@H](N)COC[C@@H](C)O 34a_100000003586_100009817552 [0,2,0,0,0,0|1,0,0]=3 1969 B11R0.145 C[C@@H](O)COCC(N)C(=O)NN 34a_100016989258_100009817552 [0,2,0,0,0,0|2,0,0]=4 1970 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,2,0,0,0,0|2,0,0]=4 1971 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,2,0,0,0,0|2,0,0]=4 1972 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,2,0,0,0,0|2,0,0]=4 1973 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [0,2,0,0,0,0|2,0,0]=4 1974 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [0,2,0,0,0,0|2,0,0]=4 1975 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [0,2,0,0,0,0|2,0,0]=4 1976 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [0,2,0,0,0,0|2,0,0]=4 1977 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,2,0,0,0,0|2,0,0]=4 1978 B11R0.155 CN(CCCCO)C(=O)CCO 240690a_100000717598_100011216618 [0,2,0,0,0,0|2,0,0]=4 1979 B11R0.155 COCC(=O)N(C)CCCCO 240690a_100000717598_100000210968 [0,2,0,0,0,0|2,0,0]=4 1980 B11R0.78 CCC[C@H](NCCCO)C(=O)O 269956a_100000750406_100011215043 [0,2,0,0,0,0|2,0,0]=4 1981 B11R0.78 COC[C@@H](NCCCO)C(=O)O 269956a_100011998655_100011215043 [0,2,0,0,0,0|2,0,0]=4 1982 B11R0.78 CSC[C@H](NCCCO)C(=O)O 269956a_100011421858_100011215043 [0,2,0,0,0,0|2,0,0]=4 1983 B11R0.78 C[Se]C[C@H](NCCCO)C(=O)O 269956a_100015254316_100011215043 [0,2,0,0,0,0|2,0,0]=4 1984 B11R0.153 CC(C)[C@@H](NCCCO)C(=O)O 269956a_100000745019_100011215043 [0,2,0,0,0,0|2,0,0]=4 1985 B11R0.153 CC(O)C(NCCCO)C(=O)O 269956a_100000185852_100011215043 [0,2,0,0,0,0|2,0,0]=4 1986 B11R0.153 NC(=O)C(NCCCO)C(=O)N 2230a_100000025885_100000230001 [0,2,0,0,0,0|2,0,0]=4 1987 B11R0.273 C=C[C@H](NCCC(C)O)C(=O)O 269956a_100016992060_100012276601 [0,2,0,0,0,0|2,0,0]=4 1988 B11R0.273 CC(O)CCNC(CO)C(=O)O 269956a_100000187304_100012276601 [0,2,0,0,0,0|2,0,0]=4 1989 B11R0.273 CC[C@@H](NCCC(C)O)C(=O)O 269956a_100000747097_100012276601 [0,2,0,0,0,0|2,0,0]=4 1990 B11R0.318 CC(C)(O)CNCC(F)C(=O)O 269956a_100000084737_100000764493 [0,2,0,0,0,0|2,0,0]=4 1991 B11R0.318 CC(C)(O)COC[C@H](N)C(=O)N 34a_100000729942_100000764493 [0,2,0,0,0,0|2,0,0]=4 1992 B11R0.318 CC(CNCC(C)(C)O)C(=O)O 269956a_100000749485_100000764493 [0,2,0,0,0,0|2,0,0]=4 1993 B11R0.318 C[C@H](NCCC(C)(C)O)C(=O)O 269956a_100000743915_100000702414 [0,2,0,0,0,0|2,0,0]=4 1994 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|2,0,0]=4 1995 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|2,0,0]=4 1996 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|1,0,0]=3 1997 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [1,0,0,1,0,0|2,0,0]=4 1998 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|2,0,0]=4 1999 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|1,0,0]=3 2000 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [1,0,0,1,0,0|2,0,0]=4 2001 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [1,0,0,1,0,0|2,0,0]=4 2002 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|2,0,0]=4 2003 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|2,0,0]=4 2004 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|1,0,0]=3 2005 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [1,0,0,1,0,0|2,0,0]=4 2006 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|2,0,0]=4 2007 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|2,0,0]=4 2008 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|2,0,0]=4 2009 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|2,0,0]=4 2010 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|2,0,0]=4 2011 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 2012 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 2013 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 2014 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [1,0,0,1,0,0|2,0,0]=4 2015 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [1,0,0,1,0,0|2,0,0]=4 2016 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [1,0,0,1,0,0|1,0,0]=3 2017 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [1,0,0,1,0,0|2,0,0]=4 2018 B9R1.85 NC(=O)CNCC1CO1 2230a_100000711301_100011216344 [1,0,0,1,0,0|2,0,0]=4 2019 B9R1.85 NC(=O)COC[C@@H]1CO1 34a_100000757423_100000187820 [1,0,0,1,0,0|2,0,0]=4 2020 B9R1.85 NC(=O)CSCC1CO1 62a_100000747473_102125554688 [1,0,0,1,0,0|2,0,0]=4 2021 B9R1.85 NC(=O)CSCC1CO1 62a_102125554688_100000747473 [1,0,0,1,0,0|2,0,0]=4 2022 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747473 [1,0,0,1,0,0|2,0,0]=4 2023 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000747473_100000745022 [1,0,0,1,0,0|2,0,0]=4 2024 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [1,0,0,1,0,0|2,0,0]=4 2025 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [1,0,0,1,0,0|1,0,0]=3 2026 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [1,0,0,1,0,0|1,1,0]=4 2027 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [1,0,0,1,0,0|1,0,0]=3 2028 B9R1.85 O=C([O-])COC[C@@H]1CO1 34a_100000757423_100020667443 [1,0,0,1,0,0|1,0,1]=4 2029 B9R1.85 O=C([O-])CSCC1CO1 62a_100020667443_102125554688 [1,0,0,1,0,0|1,0,1]=4 2030 B9R1.85 O=C([O-])CSCC1CO1 62a_102125554688_100020667443 [1,0,0,1,0,0|1,0,1]=4 2031 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100000745022_100020667443 [1,0,0,1,0,0|1,0,1]=4 2032 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100020667443_100000745022 [1,0,0,1,0,0|1,0,1]=4 2033 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|2,0,0]=4 2034 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [1,0,0,1,0,0|2,0,0]=4 2035 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,0,0,1,0,0|2,0,0]=4 2036 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,0,0,1,0,0|2,0,0]=4 2037 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [1,0,0,1,0,0|2,0,0]=4 2038 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [1,0,0,1,0,0|2,0,0]=4 2039 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [1,0,0,1,0,0|2,0,0]=4 2040 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [1,0,0,1,0,0|2,0,0]=4 2041 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [1,0,0,1,0,0|2,0,0]=4 2042 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [1,0,0,1,0,0|2,0,0]=4 2043 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [1,0,0,1,0,0|2,0,0]=4 2044 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [1,0,0,1,0,0|2,0,0]=4 2045 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [1,0,0,1,0,0|2,0,0]=4 2046 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [1,0,0,1,0,0|2,0,0]=4 2047 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [1,0,0,1,0,0|2,0,0]=4 2048 B11R1.27 O=C1N[C@H](CO1)CNCCO 2230a_100016997473_100015307671 [0,0,0,1,0,1|2,0,0]=4 2049 B11R1.27 O=C1N[C@H](CO1)CNCCO 34a_100016990907_100015307671 [0,0,0,1,0,1|2,0,0]=4 2050 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100000211926_100015307671 [0,0,0,1,0,1|2,0,0]=4 2051 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100015307671_100000211926 [0,0,0,1,0,1|2,0,0]=4 2052 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [0,0,0,1,0,1|2,0,0]=4 2053 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [0,0,0,1,0,1|2,0,0]=4 2054 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [0,0,0,1,0,1|2,0,0]=4 2055 B11R1.27 O=C1OCC(O1)SCCCO 62a_100011215043_100000032252 [0,0,0,1,0,1|2,0,0]=4 2056 B11R1.77 CC(=O)NC(C)C1CCCO1 11a_100025754208_100015343762 [0,0,0,1,0,1|2,0,0]=4 2057 B11R1.77 CC(=O)NC(C)C1CCCO1 1626a_100025754208_100015343762 [0,0,0,1,0,1|2,0,0]=4 2058 B11R1.77 CC(=O)NC(C)C1CCCO1 240690a_100025754208_100015343762 [0,0,0,1,0,1|2,0,0]=4 2059 B11R1.77 CC(=O)NC(C)C1CCCO1 527a_100025754208_100103153847 [0,0,0,1,0,1|2,0,0]=4 2060 B11R1.120 O=C(O)CC1CN(C1)CCO 269956a_100016993960_100000211926 [0,0,0,1,0,1|2,0,0]=4 2061 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,0,0,1,0,1|2,0,0]=4 2062 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,0,0,1,0,1|2,0,0]=4 2063 B11R1.484 CN(CC(=O)O)CC1CCO1 269956a_100000746989_100000103362 [0,0,0,1,0,1|2,0,0]=4 2064 B11R1.485 CN(CCC1CO1)CC(=O)O 269956a_100000746989_100000732470 [0,0,0,1,0,1|2,0,0]=4 2065 B11R1.35 CC(OC1CCCO1)C(=O)N 34a_100000085407_100000702099 [0,1,0,1,0,0|2,0,0]=4 2066 B11R1.35 C[C@H](NC1CCCC1)C(=O)O 269956a_100000743915_100000179811 [0,1,0,1,0,0|2,0,0]=4 2067 B11R1.35 C[C@H](NC1CCOC1)C(=O)O 269956a_100000743915_100000731011 [0,1,0,1,0,0|2,0,0]=4 2068 B11R1.35 NC(=O)C(F)OC1CCCO1 34a_100000085407_100009813875 [0,1,0,1,0,0|2,0,0]=4 2069 B11R1.35 O=C([O-])C(F)OC1CCCO1 34a_100000085407_100020610796 [0,1,0,1,0,0|1,0,1]=4 2070 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [0,1,0,1,0,0|2,0,0]=4 2071 B11R1.124 NC(=O)C1CCN(C1)CCO 2230a_100000752358_100000211926 [0,1,0,1,0,0|2,0,0]=4 2072 B11R1.124 NC(=O)C1CCN(C1)CCO 269982a_100000752358_100000211926 [0,1,0,1,0,0|2,0,0]=4 2073 B11R1.124 NC(=O)C1CCN(C1)CCO 34a_100000752358_100000211926 [0,1,0,1,0,0|2,0,0]=4 2074 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCF 269956a_100015195206_100015361967 [0,1,0,1,0,0|2,0,0]=4 2075 B11R1.991 O=C(O)C1(CC1)CNCCO 269956a_100000703410_100000211926 [0,1,0,1,0,0|2,0,0]=4 2076 B11R1.991 O=C(O)C1(CC1)NCCCO 269956a_100000746478_100011215043 [0,1,0,1,0,0|2,0,0]=4 2077 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,1,0,1,0,0|2,0,0]=4 2078 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,1,0,1,0,0|2,0,0]=4 2079 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,1,0,1,0,0|2,0,0]=4 2080 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,1,0,1,0,0|2,0,0]=4 2081 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,1,0,1,0,0|2,0,0]=4 2082 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,1,0,1,0,0|2,0,0]=4 2083 B11R1.211 CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210207 [0,1,0,1,0,0|2,0,0]=4 2084 B11R1.211 COCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000766300 [0,1,0,1,0,0|2,0,0]=4 2085 B11R1.211 NC(=O)C1CN(C1)CCCO 34a_100025753142_100000230001 [0,1,0,1,0,0|2,0,0]=4 2086 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCF 269956a_100000738708_100011217306 [0,1,0,1,0,0|2,0,0]=4 2087 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCO 269956a_100000738708_100000211926 [0,1,0,1,0,0|1,0,0]=3 2088 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,1,0,1,0,0|2,0,0]=4 2089 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,1,0,1,0,0|2,0,0]=4 2090 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,1,0,1,0,0|2,0,0]=4 2091 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,1,0,1,0,0|2,0,0]=4 2092 B11R1.332 CC(=O)C(C)NC[C@@H]1CCO1 2230a_100020831831_100009814033 [0,1,0,1,0,0|2,0,0]=4 2093 B11R1.332 CC(=O)C(C)OCC1CCO1 34a_100000212229_100000103362 [0,1,0,1,0,0|2,0,0]=4 2094 B11R1.332 CC(=O)C(C)SCC1CCO1 62a_100000103362_100009814033 [0,1,0,1,0,0|2,0,0]=4 2095 B11R1.332 CC(=O)C(C)SCC1CCO1 62a_100009814033_100000103362 [0,1,0,1,0,0|2,0,0]=4 2096 B11R1.332 CC(CNC1CCC1)C(=O)O 269956a_100000749485_100000749161 [0,1,0,1,0,0|2,0,0]=4 2097 B11R1.332 CC(CNC1COC1)C(=O)O 269956a_100000749485_100009818527 [0,1,0,1,0,0|2,0,0]=4 2098 B11R1.332 CC(NC[C@@H]1CCO1)C(=O)N 2230a_100020831831_100000702099 [0,1,0,1,0,0|2,0,0]=4 2099 B11R1.332 CC(NC[C@@H]1CCO1)C(=O)N 34a_100020831831_100000702099 [0,1,0,1,0,0|2,0,0]=4 2100 B11R1.332 CC(OCC1CCO1)C(=O)N 34a_100000039022_100000702099 [0,1,0,1,0,0|2,0,0]=4 2101 B11R1.332 CC(SCC1CCO1)C(=O)N 62a_100000103362_100000702099 [0,1,0,1,0,0|2,0,0]=4 2102 B11R1.332 CC(SCC1CCO1)C(=O)N 62a_100000702099_100000103362 [0,1,0,1,0,0|2,0,0]=4 2103 B11R1.332 C[C@@H](NCC1CCO1)C(=O)N 2230a_100000119354_100000103362 [0,1,0,1,0,0|2,0,0]=4 2104 B11R1.332 C[C@@H](NCC1CCO1)C(=O)N 34a_100000119354_100000103362 [0,1,0,1,0,0|2,0,0]=4 2105 B11R1.332 C[C@@H](OCC1CCO1)C(=O)N 34a_100000731257_100000103362 [0,1,0,1,0,0|2,0,0]=4 2106 B11R1.332 C[C@@H](OCC1CCO1)C(=O)N 7a_100000731257_100000103362 [0,1,0,1,0,0|2,0,0]=4 2107 B11R1.332 C[C@H](NCC1CCC1)C(=O)O 269956a_100000743915_100000763275 [0,1,0,1,0,0|2,0,0]=4 2108 B11R1.332 C[C@H](NCC1CCO1)C(=O)O 269956a_100000743915_100000103362 [0,1,0,1,0,0|1,0,0]=3 2109 B11R1.332 C[C@H](NCC1COC1)C(=O)O 269956a_100000743915_100010264016 [0,1,0,1,0,0|2,0,0]=4 2110 B11R1.332 C[C@H](OCC1CCO1)C(=O)[O-] 7a_217856618621_100000103362 [0,1,0,1,0,0|1,0,1]=4 2111 B11R1.332 NC(=O)C(F)NC[C@@H]1CCO1 2230a_100020831831_100009813875 [0,1,0,1,0,0|2,0,0]=4 2112 B11R1.332 NC(=O)C(F)NC[C@@H]1CCO1 34a_100020831831_100009813875 [0,1,0,1,0,0|2,0,0]=4 2113 B11R1.332 NC(=O)C(F)OCC1CCO1 34a_100000039022_100009813875 [0,1,0,1,0,0|2,0,0]=4 2114 B11R1.332 NC(=O)C(F)SCC1CCO1 62a_100000103362_100009813875 [0,1,0,1,0,0|2,0,0]=4 2115 B11R1.332 NC(=O)C(F)SCC1CCO1 62a_100009813875_100000103362 [0,1,0,1,0,0|2,0,0]=4 2116 B11R1.332 NC(=O)[C@@H](N)COC1CCC1 34a_100000729942_100000749161 [0,1,0,1,0,0|2,0,0]=4 2117 B11R1.332 NC(=O)[C@@H](N)COC1COC1 34a_100000729942_100009818527 [0,1,0,1,0,0|2,0,0]=4 2118 B11R1.332 O=C(O)C(F)CNC1CCC1 269956a_100000084737_100000749161 [0,1,0,1,0,0|2,0,0]=4 2119 B11R1.332 O=C(O)C(F)CNC1COC1 269956a_100000084737_100009818527 [0,1,0,1,0,0|2,0,0]=4 2120 B11R1.332 O=C([O-])C(F)NC[C@@H]1CCO1 34a_100020831831_100020610796 [0,1,0,1,0,0|1,0,1]=4 2121 B11R1.332 O=C([O-])C(F)OCC1CCO1 34a_100000039022_100020610796 [0,1,0,1,0,0|1,0,1]=4 2122 B11R1.332 O=C([O-])C(F)SCC1CCO1 62a_100000103362_100020610796 [0,1,0,1,0,0|1,0,1]=4 2123 B11R1.332 O=C([O-])C(F)SCC1CCO1 62a_100020610796_100000103362 [0,1,0,1,0,0|1,0,1]=4 2124 B11R1.333 CC(=O)C(C)COCC1CO1 34a_100000032740_102125554688 [0,1,0,1,0,0|2,0,0]=4 2125 B11R1.333 CC(=O)C(C)COCC1CO1 7a_100000032740_102125554688 [0,1,0,1,0,0|2,0,0]=4 2126 B11R1.333 CC(=O)C(C)COC[C@@H]1CO1 7a_100000032740_100000745022 [0,1,0,1,0,0|2,0,0]=4 2127 B11R1.333 CC(=O)C(C)OCCC1CO1 34a_100000212229_100000732470 [0,1,0,1,0,0|2,0,0]=4 2128 B11R1.333 CC(=O)C(C)SCCC1CO1 62a_100000732470_100009814033 [0,1,0,1,0,0|2,0,0]=4 2129 B11R1.333 CC(=O)C(C)SCCC1CO1 62a_100009814033_100000732470 [0,1,0,1,0,0|2,0,0]=4 2130 B11R1.333 CC(CNCC1CC1)C(=O)O 269956a_100000749485_100000742324 [0,1,0,1,0,0|2,0,0]=4 2131 B11R1.333 CC(CNCC1CO1)C(=O)O 269956a_100000749485_102125554688 [0,1,0,1,0,0|1,0,0]=3 2132 B11R1.333 CC(CNCC1CS1)C(=O)O 269956a_100000749485_100000031435 [0,1,0,1,0,0|1,1,0]=4 2133 B11R1.333 CC(CNC[C@@H]1CO1)C(=O)O 269956a_100000749485_100000745022 [0,1,0,1,0,0|1,0,0]=3 2134 B11R1.333 CC(OCC[C@@H]1CO1)C(=O)N 34a_100009820653_100000702099 [0,1,0,1,0,0|2,0,0]=4 2135 B11R1.333 CC(SCCC1CO1)C(=O)N 62a_100000702099_100000732470 [0,1,0,1,0,0|2,0,0]=4 2136 B11R1.333 CC(SCCC1CO1)C(=O)N 62a_100000732470_100000702099 [0,1,0,1,0,0|2,0,0]=4 2137 B11R1.333 C[C@@H](NCCC1CO1)C(=O)N 2230a_100000119354_100000732470 [0,1,0,1,0,0|2,0,0]=4 2138 B11R1.333 C[C@@H](NCCC1CO1)C(=O)N 34a_100000119354_100000732470 [0,1,0,1,0,0|2,0,0]=4 2139 B11R1.333 C[C@@H](OCCC1CO1)C(=O)N 34a_100000731257_100000732470 [0,1,0,1,0,0|2,0,0]=4 2140 B11R1.333 C[C@@H](OCCC1CO1)C(=O)N 7a_100000731257_100000732470 [0,1,0,1,0,0|2,0,0]=4 2141 B11R1.333 C[C@H](NCCC1CC1)C(=O)O 269956a_100000743915_100000694398 [0,1,0,1,0,0|2,0,0]=4 2142 B11R1.333 C[C@H](NCCC1CO1)C(=O)O 269956a_100000743915_100000732470 [0,1,0,1,0,0|1,0,0]=3 2143 B11R1.333 C[C@H](OCCC1CO1)C(=O)[O-] 7a_217856618621_100000732470 [0,1,0,1,0,0|1,0,1]=4 2144 B11R1.333 NC(=O)C(F)OCC[C@@H]1CO1 34a_100009820653_100009813875 [0,1,0,1,0,0|2,0,0]=4 2145 B11R1.333 NC(=O)C(F)SCCC1CO1 62a_100000732470_100009813875 [0,1,0,1,0,0|2,0,0]=4 2146 B11R1.333 NC(=O)C(F)SCCC1CO1 62a_100009813875_100000732470 [0,1,0,1,0,0|2,0,0]=4 2147 B11R1.333 NC(=O)[C@@H](N)COCC1CC1 34a_100000729942_100000742324 [0,1,0,1,0,0|2,0,0]=4 2148 B11R1.333 NC(=O)[C@@H](N)COCC1CO1 34a_100000729942_102125554688 [0,1,0,1,0,0|1,0,0]=3 2149 B11R1.333 O=C(O)C(F)CNCC1CC1 269956a_100000084737_100000742324 [0,1,0,1,0,0|2,0,0]=4 2150 B11R1.333 O=C(O)C(F)CNCC1CO1 269956a_100000084737_102125554688 [0,1,0,1,0,0|1,0,0]=3 2151 B11R1.333 O=C(O)C(F)CNCC1CS1 269956a_100000084737_100000031435 [0,1,0,1,0,0|1,1,0]=4 2152 B11R1.333 O=C(O)C(F)CNC[C@@H]1CO1 269956a_100000084737_100000745022 [0,1,0,1,0,0|1,0,0]=3 2153 B11R1.333 O=C([O-])C(F)OCC[C@@H]1CO1 34a_100009820653_100020610796 [0,1,0,1,0,0|1,0,1]=4 2154 B11R1.333 O=C([O-])C(F)SCCC1CO1 62a_100000732470_100020610796 [0,1,0,1,0,0|1,0,1]=4 2155 B11R1.333 O=C([O-])C(F)SCCC1CO1 62a_100020610796_100000732470 [0,1,0,1,0,0|1,0,1]=4 2156 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [0,1,0,1,0,0|2,0,0]=4 2157 B11R1.421 C[C@]1(CCCN1CF)C(=O)O 269956a_100009816582_100015361967 [0,1,0,1,0,0|2,0,0]=4 2158 B11R1.520 CC1(CCCCN1[13CH3])C(=O)O 269956a_100000698061_200025704644 [0,1,0,1,0,0|2,0,0]=4 2159 B11R1.520 CN1CCCCC1(C)C(=O)O 269956a_100000698061_200000210301 [0,1,0,1,0,0|2,0,0]=4 2160 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [0,1,0,1,0,0|2,0,0]=4 2161 B11R1.503 CC(C(=O)O)N(C)CC1CO1 269956a_100000749554_102125554688 [0,1,0,1,0,0|2,0,0]=4 2162 B11R1.503 CC(C(=O)O)N(C)C[C@@H]1CO1 269956a_100000749554_100000745022 [0,1,0,1,0,0|2,0,0]=4 2163 B11R1.3 CC(=O)C1CCC(CC1)CO 1458a_100011217856_200000210301 [0,1,0,1,0,0|2,0,0]=4 2164 B11R1.3 [13CH3]C(=O)C1CCC(CC1)CO 1458a_100011217856_200025704644 [0,1,0,1,0,0|2,0,0]=4 2165 B11R1.744 C[C@H](NCC1(CO1)C)C(=O)O 269956a_100000743915_100000760498 [0,1,0,1,0,0|2,0,0]=4 2166 B11R1.23 CCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210202 [0,1,0,1,0,0|2,0,0]=4 2167 B11R1.23 CNC(=O)C1CCCC(C1)O 1626a_100102657272_100000707227 [0,1,0,1,0,0|2,0,0]=4 2168 B11R1.23 CNC(=O)C1CCCC(C1)O 240690a_100102657272_100000707227 [0,1,0,1,0,0|2,0,0]=4 2169 B11R1.23 O=C(CF)C1CCCC(C1)O 1458a_100000707227_100015361967 [0,1,0,1,0,0|2,0,0]=4 2170 B11R1.23 O=C(CO)N1CCCC(C1)O 240690a_100000211013_100000210174 [0,1,0,1,0,0|2,0,0]=4 2171 B11R1.23 O=C(CO)N1CCCC(C1)O 527a_100000211013_100000210174 [0,1,0,1,0,0|2,0,0]=4 2172 B11R1.44 O=C(CO)N1CCC(C1)CO 240690a_100000748654_100000210174 [0,1,0,1,0,0|2,0,0]=4 2173 B11R1.44 O=C(CO)N1CCC(C1)CO 527a_100000748654_100000210174 [0,1,0,1,0,0|2,0,0]=4 2174 B11R1.121 COC(=O)C1CN(C1)CCO 269982a_100015188540_100000211926 [0,1,0,1,0,0|2,0,0]=4 2175 B11R1.180 O=C1NOC[C@H]1NCCCO 2230a_100000765999_100000230001 [0,1,0,1,0,0|2,0,0]=4 2176 B11R1.180 O=C1NOC[C@H]1NCCCO 34a_100000765999_100000230001 [0,1,0,1,0,0|2,0,0]=4 2177 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,1,0,1,0,0|2,0,0]=4 2178 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,1,0,1,0,0|2,0,0]=4 2179 B11R1.218 COC(=O)C1CN1CCCO 2230a_200009830135_100000230001 [0,1,0,1,0,0|2,0,0]=4 2180 B11R1.294 COC(=O)C(C)OCC1CO1 34a_100011215400_102125554688 [0,1,0,1,0,0|2,0,0]=4 2181 B11R1.294 COC(=O)C(C)OC[C@@H]1CO1 34a_100000757423_100000211248 [0,1,0,1,0,0|2,0,0]=4 2182 B11R1.294 COC(=O)C(C)SCC1CO1 62a_100000211248_102125554688 [0,1,0,1,0,0|2,0,0]=4 2183 B11R1.294 COC(=O)C(C)SCC1CO1 62a_102125554688_100000211248 [0,1,0,1,0,0|2,0,0]=4 2184 B11R1.294 COC(=O)C(C)SC[C@@H]1CO1 62a_100000211248_100000745022 [0,1,0,1,0,0|2,0,0]=4 2185 B11R1.294 COC(=O)C(C)SC[C@@H]1CO1 62a_100000745022_100000211248 [0,1,0,1,0,0|2,0,0]=4 2186 B11R1.294 COC(=O)[C@H](N)COC1CC1 34a_100000003586_100000211595 [0,1,0,1,0,0|2,0,0]=4 2187 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|2,0,0]=4 2188 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,1,0,1,0,0|1,0,0]=3 2189 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,1,0,1,0,0|1,0,0]=3 2190 B11R1.298 CN[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200000210301 [0,1,0,1,0,0|1,0,0]=3 2191 B11R1.298 [13CH3]N[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200025704644 [0,1,0,1,0,0|1,0,0]=3 2192 B11R1.473 CCC1SCC(N1C)C(=O)O 269956a_200025741920_200000210301 [0,1,0,1,0,0|2,0,0]=4 2193 B11R1.473 CCC1SCC(N1[13CH3])C(=O)O 269956a_200025741920_200025704644 [0,1,0,1,0,0|2,0,0]=4 2194 B11R1.1017 C=C[C@H](NCC1CO1)C(=O)O 269956a_100016992060_102125554688 [0,1,0,1,0,0|2,0,0]=4 2195 B11R1.1017 C=C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100016992060_100000745022 [0,1,0,1,0,0|2,0,0]=4 2196 B11R1.1017 CC[C@@H](NCC1CO1)C(=O)O 269956a_100000747097_102125554688 [0,1,0,1,0,0|2,0,0]=4 2197 B11R1.1017 CC[C@@H](NC[C@@H]1CO1)C(=O)O 269956a_100000747097_100000745022 [0,1,0,1,0,0|2,0,0]=4 2198 B11R1.1017 O=C(O)C(CO)NCC1CO1 269956a_100000187304_102125554688 [0,1,0,1,0,0|2,0,0]=4 2199 B11R1.1017 O=C(O)C(CO)NC[C@@H]1CO1 269956a_100000187304_100000745022 [0,1,0,1,0,0|2,0,0]=4 2200 B11R1.1074 CNC1(CCCCC1)C(=O)N 2230a_100000746659_200000210301 [0,1,0,1,0,0|2,0,0]=4 2201 B11R1.1074 CNC1(CCCCC1)C(=O)N 34a_100000746659_200000210301 [0,1,0,1,0,0|2,0,0]=4 2202 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,1,0,1,0,0|1,0,0]=3 2203 B11R1.1074 CNC1(CCOCC1)C(=O)O 269956a_100015194771_200000210301 [0,1,0,1,0,0|2,0,0]=4 2204 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 2230a_100000746659_200025704644 [0,1,0,1,0,0|2,0,0]=4 2205 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 34a_100000746659_200025704644 [0,1,0,1,0,0|2,0,0]=4 2206 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,1,0,1,0,0|1,0,0]=3 2207 B11R1.1074 [13CH3]NC1(CCOCC1)C(=O)O 269956a_100015194771_200025704644 [0,1,0,1,0,0|2,0,0]=4 2208 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,0,0,0,0,2|2,0,0]=4